*HEADER    PLANT PROTEIN                           21-DEC-20   7L55              
*TITLE     SOLUTION NMR STRUCTURE OF THE CYCLIC PLANT PROTEIN PDP-23 IN DPC      
*TITLE    2 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLIC PLANT PROTEIN PDP-23;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ZINNIA ELEGANS;                                 
*SOURCE   4 ORGANISM_TAXID: 34245                                                
*KEYWDS    PAWS DERIVED PEPTIDE, MACROCYCLE, PLANT PROTEIN                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.D.PAYNE,K.J.ROSENGREN                                               
*REVDAT   1   20-JAN-21 7L55    0                                                
# Restraints file 1: PDP-23_DPC_restraints.tbl
!Dihedral restraints from TALOS-N
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  131.9   39.9 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -85.0   39.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -78.7   45.6 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -106.6   70.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  124.0   38.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  146.3   20.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -57.2   20.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  135.9   20.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0   93.8   20.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -101.6   37.1 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  133.0   28.1 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -126.6   48.6 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  151.3   33.1 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -86.4   46.4 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  145.0   20.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  148.1   20.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -69.3   20.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  137.5   20.1 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -74.5   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -26.9   27.9 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -96.8   49.3 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  117.4   50.3 2

!Hydrogen bond restraints from temperature coefficients and preliminary calculations
assign (resid 4    and name HN   ) (resid 7    and name O )    0.00    0.00    2.30
assign (resid 4    and name N    ) (resid 7    and name O )    0.00    0.00    3.30
assign (resid 9    and name HN   ) (resid 2    and name O )    0.00    0.00    2.30
assign (resid 9    and name N    ) (resid 2    and name O )    0.00    0.00    3.30
assign (resid 21    and name HN   ) (resid 18    and name O )    0.00    0.00    2.30
assign (resid 21    and name N    ) (resid 18    and name O )    0.00    0.00    3.30
assign (resid 22    and name HN   ) (resid 18    and name O )    0.00    0.00    2.30
assign (resid 22    and name N    ) (resid 18    and name O )    0.00    0.00    3.30
assign (resid 24    and name HN   ) (resid 22    and name O )    0.00    0.00    2.30
assign (resid 24    and name N    ) (resid 22    and name O )    0.00    0.00    3.30
assign (resid 26    and name HN   ) (resid 13    and name O )    0.00    0.00    2.30
assign (resid 26    and name N    ) (resid 13    and name O )    0.00    0.00    3.30

!Interproton distance restraints from CYANA 3.98.5
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.650    0.850    0.850  
assign (resid  23 and name  HB#)   (resid  23 and name  HD2)   2.635    0.835    0.835  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.530    0.730    0.730  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.575    0.775    0.775  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.560    0.760    0.760  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.775    0.975    0.975  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.590    0.790    0.790  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.560    0.760    0.760  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.130    1.330    1.330  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.130    1.330    1.330  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.385    0.585    0.585  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.570    0.770    0.770  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.815    1.015    1.015  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.815    1.015    1.015  
assign (resid   9 and name   HN)   (resid   9 and name HG2#)   3.020    1.220    1.220  
assign (resid   9 and name   HN)   (resid   9 and name HG1#)   3.020    1.220    1.220  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.835    1.035    1.035  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.565    0.765    0.765  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.935    1.135    1.135  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.935    1.135    1.135  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.215    1.415    1.415  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   3.000    1.200    1.200  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   3.000    1.200    1.200  
assign (resid  13 and name   HN)   (resid  13 and name HG2#)   3.650    1.850    1.850  
assign (resid  13 and name   HB)   (resid  14 and name   HN)   2.970    1.170    1.170  
assign (resid  13 and name HG2#)   (resid  14 and name   HN)   3.045    1.245    1.245  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.455    0.655    0.655  
assign (resid   1 and name   HN)   (resid  28 and name   HA)   2.900    1.100    1.100  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.905    1.105    1.105  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.475    0.675    0.675  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.675    0.875    0.875  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.675    0.875    0.875  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.215    1.415    1.415  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.980    1.180    1.180  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.430    0.630    0.630  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   2.770    0.970    0.970  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.925    1.125    1.125  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.445    0.645    0.645  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.615    0.815    0.815  
assign (resid   9 and name   HA)   (resid  10 and name  HD2)   2.530    0.730    0.730  
assign (resid   9 and name   HA)   (resid  10 and name  HD1)   2.530    0.730    0.730  
assign (resid   9 and name HG2#)   (resid  10 and name  HD2)   3.270    1.470    1.470  
assign (resid   9 and name HG2#)   (resid  10 and name  HD1)   3.270    1.470    1.470  
assign (resid  17 and name   HA)   (resid  18 and name  HD2)   2.395    0.595    0.595  
assign (resid  17 and name   HA)   (resid  18 and name  HD1)   2.655    0.855    0.855  
assign (resid  19 and name   HA)   (resid  20 and name   HA)   2.385    0.585    0.585  
assign (resid  17 and name   HN)   (resid  17 and name  HD#)   2.870    1.070    1.070  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.200    1.400    1.400  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   3.250    1.450    1.450  
assign (resid  20 and name  HD2)   (resid  21 and name  HB2)   3.650    1.850    1.850  
assign (resid  20 and name   HA)   (resid  21 and name  HB2)   3.400    1.600    1.600  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.835    1.035    1.035  
assign (resid   4 and name   HA)   (resid   4 and name  HE3)   3.470    1.670    1.670  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   3.105    1.305    1.305  
assign (resid   6 and name   HA)   (resid   6 and name  HD1)   3.130    1.330    1.330  
assign (resid  17 and name   HA)   (resid  17 and name  HD#)   2.540    0.740    0.740  
assign (resid  23 and name   HA)   (resid  23 and name  HD2)   3.125    1.325    1.325  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.980    1.180    1.180  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.655    0.855    0.855  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.945    1.145    1.145  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   3.005    1.205    1.205  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.030    1.230    1.230  
assign (resid   4 and name   HA)   (resid   4 and name  HD1)   2.510    0.710    0.710  
assign (resid  14 and name   HA)   (resid  25 and name   HA)   2.445    0.645    0.645  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.150    1.350    1.350  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   2.830    1.030    1.030  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   3.095    1.295    1.295  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   3.150    1.350    1.350  
assign (resid  26 and name   HA)   (resid  26 and name  HD#)   3.150    1.350    1.350  
assign (resid  19 and name   HN)   (resid  19 and name  HD1)   2.770    0.970    0.970  
assign (resid  26 and name   HN)   (resid  26 and name  HD#)   2.885    1.085    1.085  
assign (resid   2 and name  HD#)   (resid   3 and name   HN)   3.090    1.290    1.290  
assign (resid  20 and name  HG#)   (resid  21 and name   HN)   3.455    1.655    1.655  
assign (resid  21 and name   HN)   (resid  21 and name HD1#)   3.475    1.675    1.675  
assign (resid  21 and name   HN)   (resid  21 and name HD2#)   3.475    1.675    1.675  
assign (resid  20 and name  HD1)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   9 and name   HB)   3.300    1.500    1.500  
assign (resid  13 and name   HA)   (resid  13 and name HG2#)   2.390    0.590    0.590  
assign (resid  15 and name   HN)   (resid  25 and name   HA)   2.920    1.120    1.120  
assign (resid  17 and name   HN)   (resid  18 and name  HD2)   3.480    1.680    1.680  
assign (resid  17 and name   HN)   (resid  21 and name  HB2)   3.650    1.850    1.850  
assign (resid  10 and name  HG#)   (resid  11 and name   HN)   3.550    1.750    1.750  
assign (resid  20 and name   HA)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name  HB#)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name  HB2)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid   9 and name HG1#)   2.590    0.790    0.790  
assign (resid   9 and name   HA)   (resid   9 and name HG2#)   2.590    0.790    0.790  
assign (resid  21 and name   HA)   (resid  21 and name HD1#)   2.835    1.035    1.035  
assign (resid  21 and name   HA)   (resid  21 and name HD2#)   2.835    1.035    1.035  
assign (resid  21 and name  HB2)   (resid  21 and name HD2#)   2.500    0.700    0.700  
assign (resid  21 and name  HB2)   (resid  21 and name HD1#)   2.500    0.700    0.700  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   2.745    0.945    0.945  
assign (resid  19 and name   HA)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.600    0.800    0.800  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   3.060    1.260    1.260  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   3.060    1.260    1.260  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   3.260    1.460    1.460  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   3.005    1.205    1.205  
assign (resid   1 and name   HN)   (resid  28 and name   HN)   3.105    1.305    1.305  
assign (resid   2 and name  HD#)   (resid   9 and name HG1#)   2.985    1.185    1.185  
assign (resid   2 and name  HD#)   (resid  13 and name HG2#)   2.900    1.100    1.100  
assign (resid   2 and name  HD#)   (resid   9 and name   HB)   3.110    1.310    1.310  
assign (resid  17 and name   HA)   (resid  17 and name  HE#)   3.175    1.375    1.375  
assign (resid  17 and name  HE#)   (resid  24 and name  HB2)   2.935    1.135    1.135  
assign (resid  17 and name  HE#)   (resid  24 and name  HB1)   2.935    1.135    1.135  
assign (resid  15 and name  HB#)   (resid  17 and name  HE#)   2.520    0.720    0.720  
assign (resid  17 and name  HE#)   (resid  21 and name HD1#)   3.650    1.850    1.850  
assign (resid  17 and name  HE#)   (resid  21 and name HD2#)   3.650    1.850    1.850  
assign (resid   2 and name  HE#)   (resid  13 and name   HB)   3.065    1.265    1.265  
assign (resid  26 and name  HD#)   (resid  27 and name  HD2)   3.240    1.440    1.440  
assign (resid   2 and name  HE#)   (resid   9 and name   HB)   3.650    1.850    1.850  
assign (resid   2 and name  HE#)   (resid  13 and name HG2#)   2.600    0.800    0.800  
assign (resid   2 and name  HE#)   (resid   9 and name HG1#)   3.175    1.375    1.375  
assign (resid  17 and name  HD#)   (resid  18 and name  HD2)   2.620    0.820    0.820  
assign (resid  17 and name  HD#)   (resid  24 and name  HG2)   2.920    1.120    1.120  
assign (resid  17 and name  HD#)   (resid  24 and name  HB2)   3.220    1.420    1.420  
assign (resid  17 and name  HD#)   (resid  24 and name  HG1)   2.920    1.120    1.120  
assign (resid  17 and name  HD#)   (resid  24 and name  HB1)   3.220    1.420    1.420  
assign (resid  15 and name  HB#)   (resid  17 and name  HD#)   2.740    0.940    0.940  
assign (resid  17 and name  HD#)   (resid  21 and name HD2#)   3.175    1.375    1.375  
assign (resid  17 and name  HD#)   (resid  21 and name HD1#)   3.175    1.375    1.375  
assign (resid  26 and name  HD#)   (resid  27 and name  HD1)   3.240    1.440    1.440  
assign (resid   2 and name  HD#)   (resid   3 and name   HA)   3.215    1.415    1.415  
assign (resid   4 and name   HA)   (resid   5 and name  HD2)   3.200    1.400    1.400  
assign (resid  18 and name   HA)   (resid  19 and name  HD1)   3.650    1.850    1.850  
assign (resid  17 and name  HD#)   (resid  23 and name   HA)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   4 and name  HE3)   3.010    1.210    1.210  
assign (resid   4 and name  HE3)   (resid   5 and name   HN)   3.150    1.350    1.350  
assign (resid  19 and name  HZ3)   (resid  20 and name   HA)   3.440    1.640    1.640  
assign (resid  25 and name  HB#)   (resid  26 and name  HD#)   3.650    1.850    1.850  
assign (resid  14 and name   HA)   (resid  26 and name  HE#)   3.650    1.850    1.850  
assign (resid  14 and name   HA)   (resid  26 and name  HD#)   3.485    1.685    1.685  
assign (resid   2 and name   HZ)   (resid  13 and name   HB)   3.650    1.850    1.850  
assign (resid   2 and name   HZ)   (resid  13 and name HG2#)   3.650    1.850    1.850  
assign (resid   2 and name  HD#)   (resid   9 and name HG2#)   2.985    1.185    1.185  
assign (resid   2 and name  HE#)   (resid   9 and name HG2#)   3.175    1.375    1.375  
assign (resid  25 and name   HA)   (resid  26 and name  HE#)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  26 and name  HD#)   3.540    1.740    1.740  
assign (resid  17 and name  HD#)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name  HD#)   (resid  17 and name   HZ)   2.800    1.000    1.000  
assign (resid  17 and name  HE#)   (resid  18 and name  HD2)   3.650    1.850    1.850  
assign (resid  17 and name  HB2)   (resid  21 and name  HB1)   3.090    1.290    1.290  
assign (resid  17 and name  HB2)   (resid  21 and name HD1#)   3.325    1.525    1.525  
assign (resid  17 and name  HB2)   (resid  21 and name HD2#)   3.325    1.525    1.525  
assign (resid  17 and name  HB2)   (resid  18 and name  HD2)   2.870    1.070    1.070  
assign (resid  17 and name  HB1)   (resid  18 and name  HD2)   2.870    1.070    1.070  
assign (resid  14 and name  HB1)   (resid  25 and name   HA)   3.340    1.540    1.540  
assign (resid  14 and name   HA)   (resid  25 and name  HB#)   2.930    1.130    1.130  
assign (resid  14 and name   HA)   (resid  26 and name   HN)   2.900    1.100    1.100  
assign (resid   2 and name   HN)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   3.245    1.445    1.445  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.220    1.420    1.420  
assign (resid   4 and name   HN)   (resid   4 and name  HD1)   3.650    1.850    1.850  
assign (resid   4 and name  HD1)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name HG2#)   (resid  13 and name   HB)   3.650    1.850    1.850  
assign (resid   9 and name HG1#)   (resid  13 and name   HB)   3.650    1.850    1.850  
assign (resid   9 and name HG1#)   (resid  10 and name  HD2)   3.270    1.470    1.470  
assign (resid   9 and name HG1#)   (resid  10 and name  HD1)   3.270    1.470    1.470  
assign (resid   9 and name HG1#)   (resid  13 and name HG2#)   3.120    1.320    1.320  
assign (resid   9 and name HG2#)   (resid  13 and name HG2#)   3.120    1.320    1.320  
assign (resid   9 and name   HA)   (resid  10 and name  HG#)   2.990    1.190    1.190  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.330    1.530    1.530  
assign (resid  15 and name   HN)   (resid  24 and name   HN)   3.320    1.520    1.520  
assign (resid  15 and name  HB#)   (resid  17 and name   HN)   3.575    1.775    1.775  
assign (resid  17 and name   HN)   (resid  21 and name  HB1)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  24 and name   HN)   3.450    1.650    1.650  
assign (resid  19 and name  HZ2)   (resid  20 and name   HA)   3.650    1.850    1.850  
assign (resid  20 and name  HD2)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  21 and name   HN)   (resid  21 and name   HG)   3.480    1.680    1.680  
assign (resid  17 and name  HD#)   (resid  24 and name   HN)   3.390    1.590    1.590  
assign (resid  21 and name HD1#)   (resid  24 and name  HG2)   3.865    2.065    2.065  
assign (resid  21 and name HD1#)   (resid  24 and name  HG1)   3.865    2.065    2.065  
assign (resid  20 and name  HG#)   (resid  21 and name HD1#)   3.645    1.845    1.845  
assign (resid  20 and name  HG#)   (resid  21 and name HD2#)   3.645    1.845    1.845  
assign (resid  21 and name HD2#)   (resid  24 and name  HG1)   3.865    2.065    2.065  
assign (resid  17 and name  HB1)   (resid  21 and name HD1#)   3.325    1.525    1.525  
assign (resid  17 and name  HB1)   (resid  21 and name HD2#)   3.325    1.525    1.525  
assign (resid  14 and name  HB2)   (resid  25 and name   HA)   3.340    1.540    1.540  
assign (resid  13 and name HG2#)   (resid  14 and name   HA)   3.650    1.850    1.850  
assign (resid  14 and name   HA)   (resid  15 and name  HB#)   3.255    1.455    1.455  
assign (resid  17 and name  HB1)   (resid  21 and name  HB1)   3.090    1.290    1.290  
assign (resid  17 and name  HE#)   (resid  18 and name  HD1)   3.650    1.850    1.850  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   3.005    1.205    1.205  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   3.230    1.430    1.430  
assign (resid   5 and name   HN)   (resid   5 and name  HD2)   3.000    1.200    1.200  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.905    1.105    1.105  
assign (resid  19 and name  HE3)   (resid  20 and name   HA)   2.715    0.915    0.915  
assign (resid  19 and name  HE3)   (resid  20 and name  HG#)   3.440    1.640    1.640  
assign (resid   1 and name  HA#)   (resid   9 and name  HG*)   3.540    1.740    1.740  
assign (resid   1 and name  HA#)   (resid  28 and name   HA)   3.235    1.435    1.435  
assign (resid   1 and name  HA#)   (resid  28 and name  HB#)   2.980    1.180    1.180  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.745    0.945    0.945  
assign (resid   2 and name   HN)   (resid   9 and name  HG*)   3.270    1.470    1.470  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.770    0.970    0.970  
assign (resid   2 and name  HB#)   (resid   9 and name  HG*)   3.160    1.360    1.360  
assign (resid   2 and name  HD#)   (resid   9 and name  HG*)   2.475    0.675    0.675  
assign (resid   2 and name  HE#)   (resid   9 and name  HG*)   2.865    1.065    1.065  
assign (resid   2 and name   HZ)   (resid   9 and name  HG*)   3.075    1.275    1.275  
assign (resid   3 and name   HA)   (resid   9 and name  HG*)   3.075    1.275    1.275  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.855    1.055    1.055  
assign (resid   3 and name  HB#)   (resid   8 and name   HA)   3.325    1.525    1.525  
assign (resid   3 and name  HB#)   (resid   9 and name   HN)   3.545    1.745    1.745  
assign (resid   4 and name  HB#)   (resid   4 and name  HD1)   2.480    0.680    0.680  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.925    1.125    1.125  
assign (resid   4 and name  HB#)   (resid   5 and name  HD2)   3.360    1.560    1.560  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.905    1.105    1.105  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.575    0.775    0.775  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.735    0.935    0.935  
assign (resid   7 and name  HB#)   (resid   9 and name   HN)   3.570    1.770    1.770  
assign (resid   8 and name   HA)   (resid   9 and name  HG*)   3.620    1.820    1.820  
assign (resid   9 and name   HN)   (resid   9 and name  HG*)   2.725    0.925    0.925  
assign (resid   9 and name  HG*)   (resid  10 and name  HD#)   2.455    0.655    0.655  
assign (resid   9 and name  HG*)   (resid  13 and name   HA)   3.085    1.285    1.285  
assign (resid   9 and name  HG*)   (resid  13 and name   HB)   3.105    1.305    1.305  
assign (resid   9 and name  HG*)   (resid  13 and name HG2#)   2.510    0.710    0.710  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   2.810    1.010    1.010  
assign (resid  14 and name  HB#)   (resid  25 and name   HA)   2.910    1.110    1.110  
assign (resid  14 and name  HB#)   (resid  26 and name   HN)   3.500    1.700    1.700  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.545    0.745    0.745  
assign (resid  17 and name  HB#)   (resid  18 and name  HD2)   2.595    0.795    0.795  
assign (resid  17 and name  HB#)   (resid  18 and name  HD1)   2.985    1.185    1.185  
assign (resid  17 and name  HB#)   (resid  21 and name  HB1)   2.705    0.905    0.905  
assign (resid  17 and name  HB#)   (resid  21 and name  HD#)   2.665    0.865    0.865  
assign (resid  17 and name  HD#)   (resid  21 and name  HD#)   2.725    0.925    0.925  
assign (resid  17 and name  HD#)   (resid  24 and name  HB#)   2.780    0.980    0.980  
assign (resid  17 and name  HE#)   (resid  21 and name  HD#)   3.270    1.470    1.470  
assign (resid  17 and name  HE#)   (resid  24 and name  HB#)   2.650    0.850    0.850  
assign (resid  17 and name  HE#)   (resid  24 and name  HG#)   3.140    1.340    1.340  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.850    1.050    1.050  
assign (resid  18 and name  HG#)   (resid  21 and name  HD#)   3.390    1.590    1.590  
assign (resid  19 and name  HB#)   (resid  19 and name  HD1)   2.395    0.595    0.595  
assign (resid  19 and name  HB#)   (resid  19 and name  HE3)   2.575    0.775    0.775  
assign (resid  19 and name  HB#)   (resid  19 and name  HZ3)   3.410    1.610    1.610  
assign (resid  19 and name  HE3)   (resid  20 and name  HB#)   2.840    1.040    1.040  
assign (resid  19 and name  HZ3)   (resid  20 and name  HB#)   3.565    1.765    1.765  
assign (resid  20 and name  HG#)   (resid  21 and name  HD#)   3.110    1.310    1.310  
assign (resid  20 and name  HD2)   (resid  21 and name  HD#)   3.620    1.820    1.820  
assign (resid  21 and name   HN)   (resid  21 and name  HD#)   2.965    1.165    1.165  
assign (resid  21 and name   HA)   (resid  21 and name  HD#)   2.340    0.540    0.540  
assign (resid  21 and name  HB2)   (resid  21 and name  HD#)   2.250    0.450    0.450  
assign (resid  21 and name  HD#)   (resid  22 and name   HN)   3.620    1.820    1.820  
assign (resid  21 and name  HD#)   (resid  24 and name  HB#)   3.250    1.450    1.450  
assign (resid  21 and name  HD#)   (resid  24 and name  HG#)   2.765    0.965    0.965  
assign (resid  21 and name HD2#)   (resid  24 and name  HG2)   3.865    2.065    2.065  
assign (resid  22 and name  HA#)   (resid  23 and name   HN)   2.445    0.645    0.645  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   3.570    1.770    1.770  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.980    1.180    1.180  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.710    0.910    0.910  
assign (resid  26 and name  HD#)   (resid  27 and name  HB#)   3.570    1.770    1.770  
assign (resid  26 and name  HD#)   (resid  27 and name  HD#)   2.860    1.060    1.060  
assign (resid  26 and name  HE#)   (resid  27 and name  HD#)   3.575    1.775    1.775  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.720    0.920    0.920  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.380    1.580    1.580  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.610    0.810    0.810  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HN       GLY   1  -5.309  -4.718   2.944
    2    HA2  GLY   1           HA2      GLY   1  -4.953  -3.639   0.313
    3    HA3  GLY   1           HA1      GLY   1  -6.023  -5.042   0.402
    4    H    PHE   2           HN       PHE   2  -6.736  -2.250  -0.225
    5    HA   PHE   2           HA       PHE   2  -8.883  -2.038   1.652
    6    HB2  PHE   2           HB2      PHE   2  -8.410   0.286   2.324
    7    HB3  PHE   2           HB1      PHE   2  -7.204  -0.840   2.928
    8    HD1  PHE   2           HD1      PHE   2  -4.937  -0.878   1.848
    9    HD2  PHE   2           HD2      PHE   2  -7.832   2.097   0.915
   10    HE1  PHE   2           HE1      PHE   2  -3.172   0.558   0.921
   11    HE2  PHE   2           HE2      PHE   2  -6.068   3.520  -0.007
   12    HZ   PHE   2           HZ       PHE   2  -3.737   2.755  -0.006
   13    H    CYS   3           HN       CYS   3 -10.581  -0.871   0.889
   14    HA   CYS   3           HA       CYS   3 -10.243   0.486  -1.669
   15    HB2  CYS   3           HB2      CYS   3 -11.128  -1.762  -2.171
   16    HB3  CYS   3           HB1      CYS   3 -12.432  -1.506  -1.015
   17    H    TRP   4           HN       TRP   4 -11.123   2.436  -1.608
   18    HA   TRP   4           HA       TRP   4 -12.540   3.215   0.759
   19    HB2  TRP   4           HB2      TRP   4 -11.895   4.745  -1.755
   20    HB3  TRP   4           HB1      TRP   4 -12.721   5.448  -0.370
   21    HD1  TRP   4           HD1      TRP   4 -11.192   5.440   1.971
   22    HE1  TRP   4           HE1      TRP   4  -8.683   5.920   2.221
   23    HE3  TRP   4          3HE       TRP   4  -9.730   4.543  -2.826
   24    HZ2  TRP   4           HZ2      TRP   4  -6.384   5.935   0.594
   25    HZ3  TRP   4           HZ3      TRP   4  -7.360   4.816  -3.406
   26    HH2  TRP   4          2HH       TRP   4  -5.718   5.500  -1.728
   27    H    HIS   5           HN       HIS   5 -13.475   3.884  -2.580
   28    HA   HIS   5           HA       HIS   5 -16.114   2.812  -1.938
   29    HB2  HIS   5           HB2      HIS   5 -15.489   5.335  -3.499
   30    HB3  HIS   5           HB1      HIS   5 -17.073   4.584  -3.469
   31    HD1  HIS   5           HD1      HIS   5 -18.505   4.962  -1.368
   32    HD2  HIS   5           HD2      HIS   5 -14.725   6.658  -1.148
   33    HE1  HIS   5           HE1      HIS   5 -18.546   6.513   0.630
   34    H    HIS   6           HN       HIS   6 -14.575   4.094  -4.853
   35    HA   HIS   6           HA       HIS   6 -15.215   1.561  -6.198
   36    HB2  HIS   6           HB2      HIS   6 -16.103   3.572  -7.282
   37    HB3  HIS   6           HB1      HIS   6 -14.484   4.264  -7.354
   38    HD1  HIS   6           HD1      HIS   6 -13.134   3.723  -9.461
   39    HD2  HIS   6           HD2      HIS   6 -16.461   1.285  -8.979
   40    HE1  HIS   6           HE1      HIS   6 -13.331   2.392 -11.577
   41    H    SER   7           HN       SER   7 -12.618   3.793  -5.418
   42    HA   SER   7           HA       SER   7 -10.681   2.336  -6.873
   43    HB2  SER   7           HB2      SER   7 -10.395   4.421  -4.744
   44    HB3  SER   7           HB1      SER   7  -9.105   3.893  -5.825
   45    HG   SER   7           HG       SER   7 -10.861   4.457  -7.490
   46    H    CYS   8           HN       CYS   8 -10.351   0.431  -6.286
   47    HA   CYS   8           HA       CYS   8 -10.046  -0.321  -3.475
   48    HB2  CYS   8           HB2      CYS   8 -10.623  -2.073  -5.870
   49    HB3  CYS   8           HB1      CYS   8 -10.499  -2.619  -4.208
   50    H    VAL   9           HN       VAL   9  -8.013  -0.545  -2.861
   51    HA   VAL   9           HA       VAL   9  -5.930  -0.968  -4.825
   52    HB   VAL   9           HB       VAL   9  -5.702  -0.616  -1.821
   53   HG11  VAL   9          HG11      VAL   9  -3.400   0.066  -2.299
   54   HG12  VAL   9          HG12      VAL   9  -3.667  -0.267  -4.011
   55   HG13  VAL   9          3HG1      VAL   9  -3.732  -1.582  -2.839
   56   HG21  VAL   9          HG21      VAL   9  -5.174   1.747  -2.257
   57   HG22  VAL   9          HG22      VAL   9  -6.818   1.334  -2.723
   58   HG23  VAL   9          HG23      VAL   9  -5.570   1.515  -3.961
   59    HA   PRO  10           HA       PRO  10  -6.510  -5.384  -4.037
   60    HB2  PRO  10           HB2      PRO  10  -3.918  -5.525  -5.471
   61    HB3  PRO  10           HB1      PRO  10  -5.433  -6.365  -5.811
   62    HG2  PRO  10           HG2      PRO  10  -4.600  -4.343  -7.338
   63    HG3  PRO  10           HG1      PRO  10  -6.317  -4.579  -6.973
   64    HD2  PRO  10           HD2      PRO  10  -4.396  -2.594  -5.838
   65    HD3  PRO  10           HD1      PRO  10  -6.123  -2.424  -6.224
   66    H    SER  11           HN       SER  11  -5.475  -6.982  -2.854
   67    HA   SER  11           HA       SER  11  -3.954  -6.083  -0.716
   68    HB2  SER  11           HB2      SER  11  -3.687  -8.615  -0.264
   69    HB3  SER  11           HB1      SER  11  -5.309  -7.930  -0.234
   70    HG   SER  11           HG       SER  11  -5.746  -8.835  -2.186
   71    H    GLY  12           HN       GLY  12  -1.969  -5.873  -0.365
   72    HA2  GLY  12           HA2      GLY  12   0.358  -6.553  -0.652
   73    HA3  GLY  12           HA1      GLY  12  -0.004  -6.761  -2.378
   74    H    THR  13           HN       THR  13  -0.300  -4.370   0.210
   75    HA   THR  13           HA       THR  13  -0.459  -2.288  -1.712
   76    HB   THR  13           HB       THR  13  -0.657  -0.919   0.442
   77    HG1  THR  13           HG1      THR  13  -1.013  -2.059   2.282
   78   HG21  THR  13          HG21      THR  13  -2.999  -1.630   0.749
   79   HG22  THR  13          HG22      THR  13  -2.662  -3.090  -0.180
   80   HG23  THR  13          HG23      THR  13  -2.568  -1.510  -0.956
   81    H    CYS  14           HN       CYS  14   1.223  -1.337  -2.477
   82    HA   CYS  14           HA       CYS  14   3.697  -1.438  -0.988
   83    HB2  CYS  14           HB2      CYS  14   3.117  -0.619  -3.830
   84    HB3  CYS  14           HB1      CYS  14   4.705  -0.583  -3.051
   85    H    ALA  15           HN       ALA  15   3.887   0.088   0.419
   86    HA   ALA  15           HA       ALA  15   3.179   2.796  -0.367
   87    HB1  ALA  15           HB1      ALA  15   3.272   3.284   2.057
   88    HB2  ALA  15           HB2      ALA  15   3.671   1.595   2.368
   89    HB3  ALA  15           HB3      ALA  15   2.097   2.021   1.696
   90    H    ASP  16           HN       ASP  16   4.796   4.104  -0.748
   91    HA   ASP  16           HA       ASP  16   7.513   3.104  -0.465
   92    HB2  ASP  16           HB2      ASP  16   6.925   3.852  -2.668
   93    HB3  ASP  16           HB1      ASP  16   6.343   5.389  -2.042
   94    H    PHE  17           HN       PHE  17   8.706   3.658   1.067
   95    HA   PHE  17           HA       PHE  17   8.340   6.212   2.479
   96    HB2  PHE  17           HB2      PHE  17   9.258   3.521   3.523
   97    HB3  PHE  17           HB1      PHE  17   9.260   5.003   4.462
   98    HD1  PHE  17           HD1      PHE  17   7.020   6.153   4.818
   99    HD2  PHE  17           HD2      PHE  17   7.408   2.141   3.483
  100    HE1  PHE  17           HE1      PHE  17   4.743   5.702   5.559
  101    HE2  PHE  17           HE2      PHE  17   5.127   1.658   4.220
  102    HZ   PHE  17           HZ       PHE  17   3.770   3.443   5.266
  103    HA   PRO  18           HA       PRO  18  12.728   7.021   1.678
  104    HB2  PRO  18           HB2      PRO  18  13.098   7.124   4.641
  105    HB3  PRO  18           HB1      PRO  18  13.583   8.306   3.419
  106    HG2  PRO  18           HG2      PRO  18  11.499   8.794   4.959
  107    HG3  PRO  18           HG1      PRO  18  11.430   9.174   3.228
  108    HD2  PRO  18           HD2      PRO  18  10.234   6.866   4.710
  109    HD3  PRO  18           HD1      PRO  18   9.534   7.827   3.398
  110    H    TRP  19           HN       TRP  19  14.862   6.010   2.066
  111    HA   TRP  19           HA       TRP  19  14.442   3.233   2.508
  112    HB2  TRP  19           HB2      TRP  19  16.577   4.795   1.170
  113    HB3  TRP  19           HB1      TRP  19  17.003   3.188   1.780
  114    HD1  TRP  19           HD1      TRP  19  14.321   4.825  -0.483
  115    HE1  TRP  19           HE1      TRP  19  13.471   3.032  -2.114
  116    HE3  TRP  19          3HE       TRP  19  17.052   0.817   1.188
  117    HZ2  TRP  19           HZ2      TRP  19  13.902   0.322  -2.603
  118    HZ3  TRP  19           HZ3      TRP  19  16.765  -1.331   0.073
  119    HH2  TRP  19          2HH       TRP  19  15.228  -1.585  -1.796
  120    HA   PRO  20           HA       PRO  20  15.898   1.506   2.536
  121    HB2  PRO  20           HB2      PRO  20  16.512  -0.616   3.945
  122    HB3  PRO  20           HB1      PRO  20  17.755   0.607   3.646
  123    HG2  PRO  20           HG2      PRO  20  16.179   0.086   6.127
  124    HG3  PRO  20           HG1      PRO  20  17.876   0.566   5.957
  125    HD2  PRO  20           HD2      PRO  20  15.691   2.270   6.494
  126    HD3  PRO  20           HD1      PRO  20  17.326   2.776   6.025
  127    H    LEU  21           HN       LEU  21  13.556   2.440   4.281
  128    HA   LEU  21           HA       LEU  21  12.008   0.037   4.420
  129    HB2  LEU  21           HB2      LEU  21  11.357   2.928   4.333
  130    HB3  LEU  21           HB1      LEU  21  10.078   1.716   4.467
  131    HG   LEU  21           HG       LEU  21  12.275   2.267   6.478
  132   HD11  LEU  21          HD11      LEU  21  10.464   3.080   7.902
  133   HD12  LEU  21          HD12      LEU  21   9.311   2.812   6.594
  134   HD13  LEU  21          HD13      LEU  21  10.582   4.021   6.417
  135   HD21  LEU  21          HD21      LEU  21  11.036   0.703   7.924
  136   HD22  LEU  21          HD22      LEU  21  11.669  -0.085   6.485
  137   HD23  LEU  21          HD23      LEU  21   9.956   0.332   6.580
  138    H    GLY  22           HN       GLY  22  11.884   2.873   2.295
  139    HA2  GLY  22           HA2      GLY  22  11.416   3.100   0.078
  140    HA3  GLY  22           HA1      GLY  22  11.972   1.442  -0.116
  141    H    HIS  23           HN       HIS  23  10.378   1.069  -1.627
  142    HA   HIS  23           HA       HIS  23   7.631   1.182  -0.867
  143    HB2  HIS  23           HB2      HIS  23   7.160  -0.083  -2.967
  144    HB3  HIS  23           HB1      HIS  23   8.152   1.331  -3.260
  145    HD1  HIS  23           HD1      HIS  23   7.842  -1.831  -4.612
  146    HD2  HIS  23           HD2      HIS  23  11.117   0.197  -3.061
  147    HE1  HIS  23           HE1      HIS  23   9.869  -2.878  -5.652
  148    H    GLN  24           HN       GLN  24   7.303   0.224   0.898
  149    HA   GLN  24           HA       GLN  24   8.425  -2.099   1.862
  150    HB2  GLN  24           HB2      GLN  24   5.920  -0.656   2.547
  151    HB3  GLN  24           HB1      GLN  24   6.278  -2.180   3.337
  152    HG2  GLN  24           HG2      GLN  24   8.141   0.178   3.284
  153    HG3  GLN  24           HG1      GLN  24   7.025  -0.184   4.608
  154   HE21  GLN  24          1HE2      GLN  24   9.987  -1.133   2.994
  155   HE22  GLN  24          2HE2      GLN  24  10.475  -2.253   4.204
  156    H    CYS  25           HN       CYS  25   5.223  -1.900   0.370
  157    HA   CYS  25           HA       CYS  25   3.861  -3.457  -0.560
  158    HB2  CYS  25           HB2      CYS  25   6.465  -4.878  -1.178
  159    HB3  CYS  25           HB1      CYS  25   4.910  -5.233  -1.924
  160    H    PHE  26           HN       PHE  26   2.738  -4.115   1.129
  161    HA   PHE  26           HA       PHE  26   3.655  -6.573   2.422
  162    HB2  PHE  26           HB2      PHE  26   2.777  -5.685   4.625
  163    HB3  PHE  26           HB1      PHE  26   4.210  -4.876   4.015
  164    HD1  PHE  26           HD1      PHE  26   4.056  -2.589   3.133
  165    HD2  PHE  26           HD2      PHE  26   0.702  -4.543   4.861
  166    HE1  PHE  26           HE1      PHE  26   2.921  -0.426   3.354
  167    HE2  PHE  26           HE2      PHE  26  -0.445  -2.388   5.083
  168    HZ   PHE  26           HZ       PHE  26   0.668  -0.320   4.324
  169    HA   PRO  27           HA       PRO  27  -0.380  -8.106   1.717
  170    HB2  PRO  27           HB2      PRO  27  -0.606  -9.517   4.222
  171    HB3  PRO  27           HB1      PRO  27  -0.276 -10.170   2.615
  172    HG2  PRO  27           HG2      PRO  27   1.568 -10.128   4.637
  173    HG3  PRO  27           HG1      PRO  27   1.991 -10.112   2.920
  174    HD2  PRO  27           HD2      PRO  27   1.877  -7.842   4.867
  175    HD3  PRO  27           HD1      PRO  27   3.058  -8.159   3.578
  176    H    ASP  28           HN       ASP  28  -1.551  -6.317   1.805
  177    HA   ASP  28           HA       ASP  28  -3.588  -6.155   3.808
  178    HB2  ASP  28           HB2      ASP  28  -1.755  -4.731   4.779
  179    HB3  ASP  28           HB1      ASP  28  -1.761  -3.777   3.306
  Start of MODEL    2
    1    H1   GLY   1           HN       GLY   1  -4.380  -4.976   1.529
    2    HA2  GLY   1           HA2      GLY   1  -3.688  -3.264  -0.583
    3    HA3  GLY   1           HA1      GLY   1  -5.174  -4.123  -0.968
    4    H    PHE   2           HN       PHE   2  -6.262  -2.140  -0.927
    5    HA   PHE   2           HA       PHE   2  -7.429  -1.570   1.550
    6    HB2  PHE   2           HB2      PHE   2  -6.868   0.848   1.641
    7    HB3  PHE   2           HB1      PHE   2  -5.451  -0.157   1.882
    8    HD1  PHE   2           HD1      PHE   2  -7.057   2.337  -0.212
    9    HD2  PHE   2           HD2      PHE   2  -3.723  -0.292   0.109
   10    HE1  PHE   2           HE1      PHE   2  -5.886   3.611  -1.950
   11    HE2  PHE   2           HE2      PHE   2  -2.552   0.979  -1.636
   12    HZ   PHE   2           HZ       PHE   2  -3.634   2.936  -2.665
   13    H    CYS   3           HN       CYS   3  -9.223  -0.086   1.237
   14    HA   CYS   3           HA       CYS   3  -9.937   0.326  -1.558
   15    HB2  CYS   3           HB2      CYS   3 -10.981  -1.800  -0.837
   16    HB3  CYS   3           HB1      CYS   3 -11.700  -0.983   0.543
   17    H    TRP   4           HN       TRP   4 -11.348   2.102  -1.851
   18    HA   TRP   4           HA       TRP   4 -11.420   3.903   0.431
   19    HB2  TRP   4           HB2      TRP   4 -12.060   4.324  -2.491
   20    HB3  TRP   4           HB1      TRP   4 -12.322   5.557  -1.264
   21    HD1  TRP   4           HD1      TRP   4 -10.089   6.575  -0.103
   22    HE1  TRP   4           HE1      TRP   4  -7.718   6.853  -1.040
   23    HE3  TRP   4          3HE       TRP   4 -10.355   3.270  -3.984
   24    HZ2  TRP   4           HZ2      TRP   4  -6.157   5.816  -3.144
   25    HZ3  TRP   4           HZ3      TRP   4  -8.381   2.974  -5.413
   26    HH2  TRP   4          2HH       TRP   4  -6.326   4.221  -5.001
   27    H    HIS   5           HN       HIS   5 -13.828   3.529  -2.111
   28    HA   HIS   5           HA       HIS   5 -15.742   2.780  -0.038
   29    HB2  HIS   5           HB2      HIS   5 -16.288   4.660  -2.370
   30    HB3  HIS   5           HB1      HIS   5 -17.496   4.071  -1.236
   31    HD1  HIS   5           HD1      HIS   5 -17.460   5.089   1.148
   32    HD2  HIS   5           HD2      HIS   5 -14.619   6.663  -1.421
   33    HE1  HIS   5           HE1      HIS   5 -16.538   7.128   2.301
   34    H    HIS   6           HN       HIS   6 -15.990   3.134  -3.543
   35    HA   HIS   6           HA       HIS   6 -16.672   0.294  -3.606
   36    HB2  HIS   6           HB2      HIS   6 -17.292   2.453  -5.637
   37    HB3  HIS   6           HB1      HIS   6 -17.652   0.746  -5.863
   38    HD1  HIS   6           HD1      HIS   6 -19.606  -0.266  -4.313
   39    HD2  HIS   6           HD2      HIS   6 -19.035   3.852  -4.041
   40    HE1  HIS   6           HE1      HIS   6 -21.644   0.648  -3.196
   41    H    SER   7           HN       SER   7 -14.307   2.570  -4.566
   42    HA   SER   7           HA       SER   7 -13.102   0.774  -6.458
   43    HB2  SER   7           HB2      SER   7 -12.102   3.359  -5.287
   44    HB3  SER   7           HB1      SER   7 -11.412   2.519  -6.672
   45    HG   SER   7           HG       SER   7 -12.753   3.543  -7.839
   46    H    CYS   8           HN       CYS   8 -12.082  -0.877  -5.680
   47    HA   CYS   8           HA       CYS   8 -10.577  -0.606  -3.189
   48    HB2  CYS   8           HB2      CYS   8 -11.804  -3.114  -4.363
   49    HB3  CYS   8           HB1      CYS   8 -10.926  -3.010  -2.845
   50    H    VAL   9           HN       VAL   9  -8.450  -1.186  -3.241
   51    HA   VAL   9           HA       VAL   9  -7.340  -1.479  -5.895
   52    HB   VAL   9           HB       VAL   9  -5.901  -1.102  -3.245
   53   HG11  VAL   9          HG11      VAL   9  -4.468  -1.935  -5.028
   54   HG12  VAL   9          HG12      VAL   9  -4.050  -0.280  -4.589
   55   HG13  VAL   9          3HG1      VAL   9  -4.963  -0.594  -6.066
   56   HG21  VAL   9          HG21      VAL   9  -7.428   0.745  -3.608
   57   HG22  VAL   9          HG22      VAL   9  -6.776   0.991  -5.228
   58   HG23  VAL   9          HG23      VAL   9  -5.760   1.273  -3.814
   59    HA   PRO  10           HA       PRO  10  -6.874  -5.906  -5.487
   60    HB2  PRO  10           HB2      PRO  10  -4.687  -6.156  -7.143
   61    HB3  PRO  10           HB1      PRO  10  -6.363  -6.113  -7.704
   62    HG2  PRO  10           HG2      PRO  10  -4.320  -3.938  -7.635
   63    HG3  PRO  10           HG1      PRO  10  -5.557  -4.277  -8.857
   64    HD2  PRO  10           HD2      PRO  10  -5.836  -2.301  -7.087
   65    HD3  PRO  10           HD1      PRO  10  -7.231  -3.252  -7.627
   66    H    SER  11           HN       SER  11  -5.435  -7.453  -4.693
   67    HA   SER  11           HA       SER  11  -3.794  -6.594  -2.609
   68    HB2  SER  11           HB2      SER  11  -4.944  -8.812  -2.764
   69    HB3  SER  11           HB1      SER  11  -3.737  -9.297  -3.955
   70    HG   SER  11           HG       SER  11  -3.615  -9.236  -1.282
   71    H    GLY  12           HN       GLY  12  -1.731  -6.254  -2.476
   72    HA2  GLY  12           HA2      GLY  12   0.548  -6.598  -3.274
   73    HA3  GLY  12           HA1      GLY  12  -0.106  -6.511  -4.913
   74    H    THR  13           HN       THR  13  -0.301  -4.635  -1.947
   75    HA   THR  13           HA       THR  13  -0.034  -2.220  -3.557
   76    HB   THR  13           HB       THR  13  -1.108  -1.156  -1.493
   77    HG1  THR  13           HG1      THR  13  -1.989  -3.827  -1.009
   78   HG21  THR  13          HG21      THR  13  -2.739  -3.131  -3.085
   79   HG22  THR  13          HG22      THR  13  -2.319  -1.496  -3.596
   80   HG23  THR  13          HG23      THR  13  -3.372  -1.741  -2.204
   81    H    CYS  14           HN       CYS  14   1.739  -0.969  -3.116
   82    HA   CYS  14           HA       CYS  14   2.922  -1.541  -0.589
   83    HB2  CYS  14           HB2      CYS  14   4.138  -2.805  -2.348
   84    HB3  CYS  14           HB1      CYS  14   4.576  -1.276  -3.106
   85    H    ALA  15           HN       ALA  15   4.535   0.143   0.035
   86    HA   ALA  15           HA       ALA  15   3.764   2.784  -0.910
   87    HB1  ALA  15           HB1      ALA  15   4.072   3.516   1.445
   88    HB2  ALA  15           HB2      ALA  15   4.265   1.823   1.912
   89    HB3  ALA  15           HB3      ALA  15   2.727   2.388   1.261
   90    H    ASP  16           HN       ASP  16   5.502   4.018  -1.317
   91    HA   ASP  16           HA       ASP  16   8.059   2.628  -1.272
   92    HB2  ASP  16           HB2      ASP  16   7.168   5.112  -2.750
   93    HB3  ASP  16           HB1      ASP  16   8.785   4.428  -2.831
   94    H    PHE  17           HN       PHE  17   9.222   2.996   0.451
   95    HA   PHE  17           HA       PHE  17   9.257   5.706   1.527
   96    HB2  PHE  17           HB2      PHE  17   9.605   3.023   2.837
   97    HB3  PHE  17           HB1      PHE  17  10.207   4.492   3.589
   98    HD1  PHE  17           HD1      PHE  17   7.198   2.674   2.536
   99    HD2  PHE  17           HD2      PHE  17   8.752   6.064   4.559
  100    HE1  PHE  17           HE1      PHE  17   4.980   3.121   3.500
  101    HE2  PHE  17           HE2      PHE  17   6.557   6.516   5.516
  102    HZ   PHE  17           HZ       PHE  17   4.658   5.046   4.985
  103    HA   PRO  18           HA       PRO  18  13.538   5.852   0.465
  104    HB2  PRO  18           HB2      PRO  18  14.528   7.397   2.470
  105    HB3  PRO  18           HB1      PRO  18  13.558   8.067   1.156
  106    HG2  PRO  18           HG2      PRO  18  12.718   7.328   3.932
  107    HG3  PRO  18           HG1      PRO  18  12.290   8.760   2.981
  108    HD2  PRO  18           HD2      PRO  18  10.639   6.643   3.247
  109    HD3  PRO  18           HD1      PRO  18  10.680   7.625   1.772
  110    H    TRP  19           HN       TRP  19  15.677   5.319   1.436
  111    HA   TRP  19           HA       TRP  19  15.375   2.927   2.901
  112    HB2  TRP  19           HB2      TRP  19  17.603   4.213   1.468
  113    HB3  TRP  19           HB1      TRP  19  18.039   3.078   2.753
  114    HD1  TRP  19           HD1      TRP  19  15.606   3.111  -0.279
  115    HE1  TRP  19           HE1      TRP  19  15.546   0.743  -1.249
  116    HE3  TRP  19          3HE       TRP  19  18.782   0.833   3.011
  117    HZ2  TRP  19           HZ2      TRP  19  16.703  -1.762  -0.683
  118    HZ3  TRP  19           HZ3      TRP  19  19.259  -1.560   2.724
  119    HH2  TRP  19          2HH       TRP  19  18.244  -2.835   0.910
  120    HA   PRO  20           HA       PRO  20  16.737   1.543   3.820
  121    HB2  PRO  20           HB2      PRO  20  17.117   0.123   5.991
  122    HB3  PRO  20           HB1      PRO  20  18.382   1.246   5.466
  123    HG2  PRO  20           HG2      PRO  20  16.390   1.536   7.676
  124    HG3  PRO  20           HG1      PRO  20  18.085   2.040   7.625
  125    HD2  PRO  20           HD2      PRO  20  15.841   3.678   7.137
  126    HD3  PRO  20           HD1      PRO  20  17.527   4.085   6.768
  127    H    LEU  21           HN       LEU  21  14.176   2.926   4.917
  128    HA   LEU  21           HA       LEU  21  12.520   0.825   5.876
  129    HB2  LEU  21           HB2      LEU  21  12.027   3.358   4.443
  130    HB3  LEU  21           HB1      LEU  21  10.689   2.371   5.036
  131    HG   LEU  21           HG       LEU  21  12.807   3.737   6.721
  132   HD11  LEU  21          HD11      LEU  21   9.899   4.390   6.254
  133   HD12  LEU  21          HD12      LEU  21  11.280   5.316   5.664
  134   HD13  LEU  21          HD13      LEU  21  10.967   5.204   7.394
  135   HD21  LEU  21          HD21      LEU  21  11.957   1.681   7.753
  136   HD22  LEU  21          HD22      LEU  21  10.305   2.243   7.511
  137   HD23  LEU  21          HD23      LEU  21  11.376   3.109   8.608
  138    H    GLY  22           HN       GLY  22  12.798   2.416   2.718
  139    HA2  GLY  22           HA2      GLY  22  12.491   1.680   0.582
  140    HA3  GLY  22           HA1      GLY  22  12.910   0.082   1.179
  141    H    HIS  23           HN       HIS  23  11.441  -1.358   0.783
  142    HA   HIS  23           HA       HIS  23   8.742  -0.538   0.194
  143    HB2  HIS  23           HB2      HIS  23  10.067  -3.244   0.017
  144    HB3  HIS  23           HB1      HIS  23   8.378  -2.953  -0.365
  145    HD1  HIS  23           HD1      HIS  23  11.154  -3.663  -2.180
  146    HD2  HIS  23           HD2      HIS  23   8.566  -0.421  -2.277
  147    HE1  HIS  23           HE1      HIS  23  11.345  -2.682  -4.498
  148    H    GLN  24           HN       GLN  24   8.084   0.108   2.201
  149    HA   GLN  24           HA       GLN  24   7.901  -1.800   4.350
  150    HB2  GLN  24           HB2      GLN  24   6.484   0.835   3.926
  151    HB3  GLN  24           HB1      GLN  24   6.247  -0.168   5.350
  152    HG2  GLN  24           HG2      GLN  24   8.873   1.019   4.476
  153    HG3  GLN  24           HG1      GLN  24   7.834   1.657   5.750
  154   HE21  GLN  24          1HE2      GLN  24  10.086  -0.848   4.862
  155   HE22  GLN  24          2HE2      GLN  24  10.256  -1.520   6.423
  156    H    CYS  25           HN       CYS  25   5.813  -0.622   1.888
  157    HA   CYS  25           HA       CYS  25   4.033  -1.371   0.839
  158    HB2  CYS  25           HB2      CYS  25   4.833  -4.065   1.930
  159    HB3  CYS  25           HB1      CYS  25   3.647  -3.821   0.652
  160    H    PHE  26           HN       PHE  26   1.807  -2.572   1.004
  161    HA   PHE  26           HA       PHE  26   0.724  -1.912   3.620
  162    HB2  PHE  26           HB2      PHE  26  -0.534  -1.921   0.876
  163    HB3  PHE  26           HB1      PHE  26  -1.481  -1.841   2.350
  164    HD1  PHE  26           HD1      PHE  26   0.579  -0.034   0.006
  165    HD2  PHE  26           HD2      PHE  26  -1.309   0.107   3.802
  166    HE1  PHE  26           HE1      PHE  26   0.784   2.413   0.001
  167    HE2  PHE  26           HE2      PHE  26  -1.109   2.572   3.818
  168    HZ   PHE  26           HZ       PHE  26  -0.061   3.724   1.910
  169    HA   PRO  27           HA       PRO  27  -0.443  -6.203   4.036
  170    HB2  PRO  27           HB2      PRO  27  -2.821  -5.272   5.484
  171    HB3  PRO  27           HB1      PRO  27  -1.474  -6.261   6.083
  172    HG2  PRO  27           HG2      PRO  27  -1.799  -3.728   6.875
  173    HG3  PRO  27           HG1      PRO  27  -0.179  -4.387   6.567
  174    HD2  PRO  27           HD2      PRO  27  -1.893  -2.674   4.803
  175    HD3  PRO  27           HD1      PRO  27  -0.165  -2.519   5.201
  176    H    ASP  28           HN       ASP  28  -1.035  -6.762   2.053
  177    HA   ASP  28           HA       ASP  28  -2.286  -7.599   0.400
  178    HB2  ASP  28           HB2      ASP  28  -3.815  -8.459   2.171
  179    HB3  ASP  28           HB1      ASP  28  -4.722  -6.955   2.090
  Start of MODEL    3
    1    H1   GLY   1           HN       GLY   1  -5.247  -4.685   1.646
    2    HA2  GLY   1           HA2      GLY   1  -4.536  -3.757  -0.909
    3    HA3  GLY   1           HA1      GLY   1  -5.543  -5.201  -1.033
    4    H    PHE   2           HN       PHE   2  -5.337  -2.126   0.595
    5    HA   PHE   2           HA       PHE   2  -7.948  -2.116   1.466
    6    HB2  PHE   2           HB2      PHE   2  -7.528   0.474   1.636
    7    HB3  PHE   2           HB1      PHE   2  -6.742  -0.661   2.718
    8    HD1  PHE   2           HD1      PHE   2  -4.435  -0.724   2.880
    9    HD2  PHE   2           HD2      PHE   2  -6.234   1.254  -0.410
   10    HE1  PHE   2           HE1      PHE   2  -2.239   0.165   2.234
   11    HE2  PHE   2           HE2      PHE   2  -4.037   2.156  -1.064
   12    HZ   PHE   2           HZ       PHE   2  -2.042   1.605   0.256
   13    H    CYS   3           HN       CYS   3  -9.774  -1.386   0.848
   14    HA   CYS   3           HA       CYS   3 -10.201  -0.041  -1.679
   15    HB2  CYS   3           HB2      CYS   3 -10.121  -2.333  -2.408
   16    HB3  CYS   3           HB1      CYS   3 -11.065  -2.861  -1.034
   17    H    TRP   4           HN       TRP   4 -11.502   1.543  -1.003
   18    HA   TRP   4           HA       TRP   4 -13.367   0.894   1.162
   19    HB2  TRP   4           HB2      TRP   4 -12.547   3.702   0.309
   20    HB3  TRP   4           HB1      TRP   4 -13.386   3.224   1.780
   21    HD1  TRP   4           HD1      TRP   4 -11.844   2.077   3.699
   22    HE1  TRP   4           HE1      TRP   4  -9.300   2.247   4.126
   23    HE3  TRP   4          3HE       TRP   4 -10.359   3.909  -0.834
   24    HZ2  TRP   4           HZ2      TRP   4  -6.998   3.057   2.736
   25    HZ3  TRP   4           HZ3      TRP   4  -7.975   4.363  -1.203
   26    HH2  TRP   4          2HH       TRP   4  -6.330   3.945   0.544
   27    H    HIS   5           HN       HIS   5 -13.658   3.614  -1.082
   28    HA   HIS   5           HA       HIS   5 -15.934   2.281  -2.243
   29    HB2  HIS   5           HB2      HIS   5 -17.090   4.545  -2.339
   30    HB3  HIS   5           HB1      HIS   5 -16.981   3.815  -0.746
   31    HD1  HIS   5           HD1      HIS   5 -15.991   6.847  -2.677
   32    HD2  HIS   5           HD2      HIS   5 -15.181   5.120   1.009
   33    HE1  HIS   5           HE1      HIS   5 -14.951   8.644  -1.283
   34    H    HIS   6           HN       HIS   6 -15.259   1.788  -4.132
   35    HA   HIS   6           HA       HIS   6 -14.725   1.946  -6.288
   36    HB2  HIS   6           HB2      HIS   6 -14.681   4.937  -5.855
   37    HB3  HIS   6           HB1      HIS   6 -14.387   4.182  -7.415
   38    HD1  HIS   6           HD1      HIS   6 -16.434   4.302  -8.830
   39    HD2  HIS   6           HD2      HIS   6 -17.344   3.874  -4.804
   40    HE1  HIS   6           HE1      HIS   6 -18.936   4.304  -8.685
   41    H    SER   7           HN       SER   7 -12.702   3.983  -4.267
   42    HA   SER   7           HA       SER   7 -10.385   3.422  -5.841
   43    HB2  SER   7           HB2      SER   7 -10.560   4.513  -3.048
   44    HB3  SER   7           HB1      SER   7  -9.191   4.649  -4.146
   45    HG   SER   7           HG       SER   7 -11.318   5.551  -5.444
   46    H    CYS   8           HN       CYS   8  -9.565   1.474  -5.840
   47    HA   CYS   8           HA       CYS   8  -9.315  -0.034  -3.368
   48    HB2  CYS   8           HB2      CYS   8 -10.429  -1.135  -5.946
   49    HB3  CYS   8           HB1      CYS   8 -10.135  -2.051  -4.472
   50    H    VAL   9           HN       VAL   9  -7.410  -0.852  -3.144
   51    HA   VAL   9           HA       VAL   9  -5.620  -0.952  -5.454
   52    HB   VAL   9           HB       VAL   9  -4.985  -0.809  -2.481
   53   HG11  VAL   9          HG11      VAL   9  -2.694  -0.323  -3.165
   54   HG12  VAL   9          HG12      VAL   9  -3.137  -0.587  -4.852
   55   HG13  VAL   9          3HG1      VAL   9  -3.208  -1.924  -3.698
   56   HG21  VAL   9          HG21      VAL   9  -4.885   1.330  -4.596
   57   HG22  VAL   9          HG22      VAL   9  -4.233   1.494  -2.973
   58   HG23  VAL   9          HG23      VAL   9  -5.970   1.257  -3.205
   59    HA   PRO  10           HA       PRO  10  -5.858  -5.422  -5.058
   60    HB2  PRO  10           HB2      PRO  10  -3.492  -6.005  -6.303
   61    HB3  PRO  10           HB1      PRO  10  -5.005  -5.685  -7.168
   62    HG2  PRO  10           HG2      PRO  10  -2.679  -3.884  -6.651
   63    HG3  PRO  10           HG1      PRO  10  -3.695  -4.010  -8.093
   64    HD2  PRO  10           HD2      PRO  10  -3.981  -2.015  -6.311
   65    HD3  PRO  10           HD1      PRO  10  -5.368  -2.694  -7.185
   66    H    SER  11           HN       SER  11  -4.656  -7.191  -4.171
   67    HA   SER  11           HA       SER  11  -3.479  -6.654  -1.701
   68    HB2  SER  11           HB2      SER  11  -3.382  -9.181  -3.344
   69    HB3  SER  11           HB1      SER  11  -3.135  -9.060  -1.600
   70    HG   SER  11           HG       SER  11  -5.326  -7.968  -1.736
   71    H    GLY  12           HN       GLY  12  -1.519  -6.279  -1.137
   72    HA2  GLY  12           HA2      GLY  12   0.892  -6.812  -1.246
   73    HA3  GLY  12           HA1      GLY  12   0.740  -6.746  -3.002
   74    H    THR  13           HN       THR  13  -0.460  -4.629  -0.444
   75    HA   THR  13           HA       THR  13  -0.081  -2.330  -1.932
   76    HB   THR  13           HB       THR  13  -0.586  -1.288   0.382
   77    HG1  THR  13           HG1      THR  13   0.027  -3.448   1.381
   78   HG21  THR  13          HG21      THR  13  -2.952  -1.913   0.125
   79   HG22  THR  13          HG22      THR  13  -2.476  -3.214  -0.968
   80   HG23  THR  13          HG23      THR  13  -2.211  -1.534  -1.430
   81    H    CYS  14           HN       CYS  14   1.679  -1.313  -2.366
   82    HA   CYS  14           HA       CYS  14   3.703  -0.826  -0.314
   83    HB2  CYS  14           HB2      CYS  14   4.159  -1.774  -3.139
   84    HB3  CYS  14           HB1      CYS  14   5.384  -0.943  -2.187
   85    H    ALA  15           HN       ALA  15   4.719   1.246  -0.560
   86    HA   ALA  15           HA       ALA  15   3.899   2.874  -2.835
   87    HB1  ALA  15           HB1      ALA  15   3.339   4.772  -1.368
   88    HB2  ALA  15           HB2      ALA  15   3.596   3.757   0.046
   89    HB3  ALA  15           HB3      ALA  15   2.263   3.408  -1.058
   90    H    ASP  16           HN       ASP  16   5.354   4.812  -3.002
   91    HA   ASP  16           HA       ASP  16   7.995   3.891  -2.616
   92    HB2  ASP  16           HB2      ASP  16   8.812   5.935  -3.673
   93    HB3  ASP  16           HB1      ASP  16   7.445   5.307  -4.569
   94    H    PHE  17           HN       PHE  17   8.450   3.548  -0.600
   95    HA   PHE  17           HA       PHE  17   8.763   5.848   1.122
   96    HB2  PHE  17           HB2      PHE  17   8.122   3.021   1.420
   97    HB3  PHE  17           HB1      PHE  17   9.111   3.599   2.719
   98    HD1  PHE  17           HD1      PHE  17   7.917   4.416   4.523
   99    HD2  PHE  17           HD2      PHE  17   6.170   4.743   0.692
  100    HE1  PHE  17           HE1      PHE  17   5.990   5.591   5.503
  101    HE2  PHE  17           HE2      PHE  17   4.237   5.873   1.626
  102    HZ   PHE  17           HZ       PHE  17   4.124   6.315   4.060
  103    HA   PRO  18           HA       PRO  18  13.152   6.121   0.871
  104    HB2  PRO  18           HB2      PRO  18  13.823   5.640   3.568
  105    HB3  PRO  18           HB1      PRO  18  13.523   7.212   2.823
  106    HG2  PRO  18           HG2      PRO  18  11.680   5.477   4.399
  107    HG3  PRO  18           HG1      PRO  18  11.790   7.246   4.341
  108    HD2  PRO  18           HD2      PRO  18   9.814   5.980   3.106
  109    HD3  PRO  18           HD1      PRO  18  10.611   7.370   2.333
  110    H    TRP  19           HN       TRP  19  15.029   4.899   0.754
  111    HA   TRP  19           HA       TRP  19  14.630   2.332   0.059
  112    HB2  TRP  19           HB2      TRP  19  17.080   3.924   0.463
  113    HB3  TRP  19           HB1      TRP  19  17.266   2.175   0.327
  114    HD1  TRP  19           HD1      TRP  19  16.250   5.231  -1.710
  115    HE1  TRP  19           HE1      TRP  19  16.038   4.528  -4.170
  116    HE3  TRP  19          3HE       TRP  19  16.809   0.177  -1.171
  117    HZ2  TRP  19           HZ2      TRP  19  16.086   2.146  -5.665
  118    HZ3  TRP  19           HZ3      TRP  19  16.713  -1.240  -3.167
  119    HH2  TRP  19          2HH       TRP  19  16.365  -0.275  -5.376
  120    HA   PRO  20           HA       PRO  20  14.996   0.518  -0.413
  121    HB2  PRO  20           HB2      PRO  20  13.942  -1.879  -0.077
  122    HB3  PRO  20           HB1      PRO  20  15.662  -1.624   0.264
  123    HG2  PRO  20           HG2      PRO  20  13.355  -1.685   2.176
  124    HG3  PRO  20           HG1      PRO  20  14.892  -2.575   2.297
  125    HD2  PRO  20           HD2      PRO  20  14.428  -0.233   3.620
  126    HD3  PRO  20           HD1      PRO  20  16.042  -0.687   3.034
  127    H    LEU  21           HN       LEU  21  12.779   0.801   2.144
  128    HA   LEU  21           HA       LEU  21  10.663   1.888   0.901
  129    HB2  LEU  21           HB2      LEU  21  10.749  -0.844   0.108
  130    HB3  LEU  21           HB1      LEU  21   9.801  -0.671   1.601
  131    HG   LEU  21           HG       LEU  21   8.567  -0.749  -0.563
  132   HD11  LEU  21          HD11      LEU  21   8.147   1.152   1.693
  133   HD12  LEU  21          HD12      LEU  21   7.377  -0.402   1.385
  134   HD13  LEU  21          HD13      LEU  21   6.952   1.004   0.403
  135   HD21  LEU  21          HD21      LEU  21   9.808   0.912  -1.793
  136   HD22  LEU  21          HD22      LEU  21   9.436   2.131  -0.569
  137   HD23  LEU  21          HD23      LEU  21   8.148   1.471  -1.559
  138    H    GLY  22           HN       GLY  22  11.046   2.799   2.850
  139    HA2  GLY  22           HA2      GLY  22  11.075   1.771   5.396
  140    HA3  GLY  22           HA1      GLY  22  10.419   3.347   5.016
  141    H    HIS  23           HN       HIS  23   9.568  -0.052   5.174
  142    HA   HIS  23           HA       HIS  23   7.907  -1.140   6.086
  143    HB2  HIS  23           HB2      HIS  23   7.498   1.374   7.661
  144    HB3  HIS  23           HB1      HIS  23   6.557  -0.082   7.941
  145    HD1  HIS  23           HD1      HIS  23   7.612  -1.819   9.481
  146    HD2  HIS  23           HD2      HIS  23  10.304   1.082   8.205
  147    HE1  HIS  23           HE1      HIS  23   9.712  -2.175  10.817
  148    H    GLN  24           HN       GLN  24   7.034   1.058   3.791
  149    HA   GLN  24           HA       GLN  24   4.233   0.772   4.411
  150    HB2  GLN  24           HB2      GLN  24   5.152   2.902   3.575
  151    HB3  GLN  24           HB1      GLN  24   5.499   2.127   2.045
  152    HG2  GLN  24           HG2      GLN  24   3.510   3.558   2.072
  153    HG3  GLN  24           HG1      GLN  24   3.191   1.922   1.528
  154   HE21  GLN  24          1HE2      GLN  24   3.555   2.977   4.918
  155   HE22  GLN  24          2HE2      GLN  24   1.914   2.677   5.351
  156    H    CYS  25           HN       CYS  25   6.336  -1.269   3.073
  157    HA   CYS  25           HA       CYS  25   4.369  -2.380   1.253
  158    HB2  CYS  25           HB2      CYS  25   7.209  -3.142   1.864
  159    HB3  CYS  25           HB1      CYS  25   6.109  -4.324   1.155
  160    H    PHE  26           HN       PHE  26   2.755  -3.433   2.148
  161    HA   PHE  26           HA       PHE  26   3.398  -5.508   4.003
  162    HB2  PHE  26           HB2      PHE  26   1.640  -4.867   5.652
  163    HB3  PHE  26           HB1      PHE  26   2.925  -3.682   5.558
  164    HD1  PHE  26           HD1      PHE  26  -0.595  -4.330   5.146
  165    HD2  PHE  26           HD2      PHE  26   2.494  -1.492   4.461
  166    HE1  PHE  26           HE1      PHE  26  -2.279  -2.585   4.853
  167    HE2  PHE  26           HE2      PHE  26   0.811   0.271   4.160
  168    HZ   PHE  26           HZ       PHE  26  -1.584  -0.268   4.357
  169    HA   PRO  27           HA       PRO  27   0.379  -7.454   1.538
  170    HB2  PRO  27           HB2      PRO  27  -0.373  -9.377   3.527
  171    HB3  PRO  27           HB1      PRO  27   0.719  -9.595   2.158
  172    HG2  PRO  27           HG2      PRO  27   1.523  -9.605   4.801
  173    HG3  PRO  27           HG1      PRO  27   2.582  -9.234   3.434
  174    HD2  PRO  27           HD2      PRO  27   1.205  -7.366   5.325
  175    HD3  PRO  27           HD1      PRO  27   2.827  -7.262   4.603
  176    H    ASP  28           HN       ASP  28  -1.261  -6.030   1.348
  177    HA   ASP  28           HA       ASP  28  -3.740  -6.756   2.548
  178    HB2  ASP  28           HB2      ASP  28  -2.651  -5.042   4.189
  179    HB3  ASP  28           HB1      ASP  28  -2.894  -3.860   2.911
  Start of MODEL    4
    1    H1   GLY   1           HN       GLY   1  -4.443  -5.224   1.543
    2    HA2  GLY   1           HA2      GLY   1  -3.118  -4.054  -0.680
    3    HA3  GLY   1           HA1      GLY   1  -4.820  -4.396  -0.999
    4    H    PHE   2           HN       PHE   2  -5.338  -2.152  -1.060
    5    HA   PHE   2           HA       PHE   2  -5.972  -1.152   1.503
    6    HB2  PHE   2           HB2      PHE   2  -4.787   1.048   1.278
    7    HB3  PHE   2           HB1      PHE   2  -3.714  -0.311   1.537
    8    HD1  PHE   2           HD1      PHE   2  -4.560   2.463  -0.585
    9    HD2  PHE   2           HD2      PHE   2  -2.402  -1.200  -0.432
   10    HE1  PHE   2           HE1      PHE   2  -3.203   3.179  -2.505
   11    HE2  PHE   2           HE2      PHE   2  -1.049  -0.490  -2.352
   12    HZ   PHE   2           HZ       PHE   2  -1.446   1.702  -3.391
   13    H    CYS   3           HN       CYS   3  -7.568   0.371   1.471
   14    HA   CYS   3           HA       CYS   3  -8.479   1.385  -1.076
   15    HB2  CYS   3           HB2      CYS   3  -9.541  -0.825  -0.986
   16    HB3  CYS   3           HB1      CYS   3 -10.168  -0.469   0.622
   17    H    TRP   4           HN       TRP   4  -9.833   3.129  -0.828
   18    HA   TRP   4           HA       TRP   4 -10.185   3.998   1.950
   19    HB2  TRP   4           HB2      TRP   4  -9.910   5.810  -0.461
   20    HB3  TRP   4           HB1      TRP   4  -9.972   6.311   1.230
   21    HD1  TRP   4           HD1      TRP   4  -7.737   5.524   2.704
   22    HE1  TRP   4           HE1      TRP   4  -5.286   5.372   1.927
   23    HE3  TRP   4          3HE       TRP   4  -8.487   5.365  -2.338
   24    HZ2  TRP   4           HZ2      TRP   4  -3.864   5.214  -0.500
   25    HZ3  TRP   4           HZ3      TRP   4  -6.532   5.212  -3.822
   26    HH2  TRP   4          2HH       TRP   4  -4.270   5.139  -2.917
   27    H    HIS   5           HN       HIS   5 -11.619   5.516  -0.923
   28    HA   HIS   5           HA       HIS   5 -14.218   4.463  -0.081
   29    HB2  HIS   5           HB2      HIS   5 -13.646   7.242  -1.174
   30    HB3  HIS   5           HB1      HIS   5 -15.225   6.615  -0.729
   31    HD1  HIS   5           HD1      HIS   5 -15.764   6.520   1.856
   32    HD2  HIS   5           HD2      HIS   5 -12.035   8.087   0.909
   33    HE1  HIS   5           HE1      HIS   5 -14.928   7.644   3.943
   34    H    HIS   6           HN       HIS   6 -14.492   2.960  -1.621
   35    HA   HIS   6           HA       HIS   6 -14.984   2.013  -3.580
   36    HB2  HIS   6           HB2      HIS   6 -14.974   4.831  -4.677
   37    HB3  HIS   6           HB1      HIS   6 -15.320   3.425  -5.673
   38    HD1  HIS   6           HD1      HIS   6 -17.762   2.814  -5.807
   39    HD2  HIS   6           HD2      HIS   6 -16.868   5.088  -2.442
   40    HE1  HIS   6           HE1      HIS   6 -19.956   3.300  -4.690
   41    H    SER   7           HN       SER   7 -12.320   4.264  -3.771
   42    HA   SER   7           HA       SER   7 -10.953   2.851  -5.834
   43    HB2  SER   7           HB2      SER   7  -9.850   4.731  -3.784
   44    HB3  SER   7           HB1      SER   7  -9.172   4.386  -5.375
   45    HG   SER   7           HG       SER   7 -11.610   5.129  -5.839
   46    H    CYS   8           HN       CYS   8 -10.515   0.810  -5.323
   47    HA   CYS   8           HA       CYS   8  -9.111   0.216  -2.803
   48    HB2  CYS   8           HB2      CYS   8 -10.946  -1.630  -4.343
   49    HB3  CYS   8           HB1      CYS   8 -10.091  -2.034  -2.870
   50    H    VAL   9           HN       VAL   9  -7.162  -0.684  -3.061
   51    HA   VAL   9           HA       VAL   9  -6.399  -1.478  -5.740
   52    HB   VAL   9           HB       VAL   9  -4.669  -1.005  -3.280
   53   HG11  VAL   9          HG11      VAL   9  -3.557  -2.479  -4.855
   54   HG12  VAL   9          HG12      VAL   9  -2.817  -0.873  -4.907
   55   HG13  VAL   9          3HG1      VAL   9  -3.923  -1.369  -6.176
   56   HG21  VAL   9          HG21      VAL   9  -5.204   0.803  -5.636
   57   HG22  VAL   9          HG22      VAL   9  -4.046   1.113  -4.340
   58   HG23  VAL   9          HG23      VAL   9  -5.770   1.045  -3.983
   59    HA   PRO  10           HA       PRO  10  -7.233  -5.722  -4.761
   60    HB2  PRO  10           HB2      PRO  10  -5.377  -6.814  -6.493
   61    HB3  PRO  10           HB1      PRO  10  -7.029  -6.335  -6.913
   62    HG2  PRO  10           HG2      PRO  10  -4.465  -4.848  -7.279
   63    HG3  PRO  10           HG1      PRO  10  -5.865  -4.957  -8.361
   64    HD2  PRO  10           HD2      PRO  10  -5.447  -2.798  -6.899
   65    HD3  PRO  10           HD1      PRO  10  -7.097  -3.417  -7.124
   66    H    SER  11           HN       SER  11  -6.220  -7.748  -4.189
   67    HA   SER  11           HA       SER  11  -4.353  -7.413  -2.084
   68    HB2  SER  11           HB2      SER  11  -6.247  -9.106  -2.180
   69    HB3  SER  11           HB1      SER  11  -5.298  -9.993  -3.367
   70    HG   SER  11           HG       SER  11  -5.095  -9.808  -0.676
   71    H    GLY  12           HN       GLY  12  -2.231  -7.885  -2.082
   72    HA2  GLY  12           HA2      GLY  12  -0.235  -8.893  -2.904
   73    HA3  GLY  12           HA1      GLY  12  -1.020  -9.063  -4.472
   74    H    THR  13           HN       THR  13  -0.565  -6.342  -2.274
   75    HA   THR  13           HA       THR  13   0.725  -4.938  -4.480
   76    HB   THR  13           HB       THR  13  -1.435  -3.741  -2.725
   77    HG1  THR  13           HG1      THR  13  -2.590  -4.830  -4.192
   78   HG21  THR  13          HG21      THR  13  -1.233  -1.801  -4.207
   79   HG22  THR  13          HG22      THR  13   0.042  -2.610  -5.114
   80   HG23  THR  13          HG23      THR  13   0.318  -2.142  -3.437
   81    H    CYS  14           HN       CYS  14   2.502  -3.916  -3.905
   82    HA   CYS  14           HA       CYS  14   2.932  -3.329  -1.090
   83    HB2  CYS  14           HB2      CYS  14   4.595  -4.940  -2.005
   84    HB3  CYS  14           HB1      CYS  14   4.987  -3.800  -3.285
   85    H    ALA  15           HN       ALA  15   4.223  -1.258  -0.825
   86    HA   ALA  15           HA       ALA  15   3.697   0.613  -2.979
   87    HB1  ALA  15           HB1      ALA  15   2.964   2.287  -1.354
   88    HB2  ALA  15           HB2      ALA  15   3.100   1.095  -0.064
   89    HB3  ALA  15           HB3      ALA  15   1.898   0.882  -1.343
   90    H    ASP  16           HN       ASP  16   5.234   2.142  -3.184
   91    HA   ASP  16           HA       ASP  16   7.730   1.565  -1.810
   92    HB2  ASP  16           HB2      ASP  16   7.136   3.370  -4.153
   93    HB3  ASP  16           HB1      ASP  16   8.726   3.162  -3.439
   94    H    PHE  17           HN       PHE  17   8.568   2.799  -0.355
   95    HA   PHE  17           HA       PHE  17   7.485   5.477   0.018
   96    HB2  PHE  17           HB2      PHE  17   8.231   3.415   2.104
   97    HB3  PHE  17           HB1      PHE  17   7.896   5.100   2.478
   98    HD1  PHE  17           HD1      PHE  17   5.638   6.009   1.853
   99    HD2  PHE  17           HD2      PHE  17   6.511   1.863   1.970
  100    HE1  PHE  17           HE1      PHE  17   3.258   5.532   1.998
  101    HE2  PHE  17           HE2      PHE  17   4.110   1.352   2.119
  102    HZ   PHE  17           HZ       PHE  17   2.471   3.183   2.132
  103    HA   PRO  18           HA       PRO  18  11.753   6.596  -0.090
  104    HB2  PRO  18           HB2      PRO  18  11.861   8.716   1.609
  105    HB3  PRO  18           HB1      PRO  18  11.117   8.830   0.011
  106    HG2  PRO  18           HG2      PRO  18   9.841   8.512   2.682
  107    HG3  PRO  18           HG1      PRO  18   9.311   9.485   1.300
  108    HD2  PRO  18           HD2      PRO  18   8.264   7.050   1.964
  109    HD3  PRO  18           HD1      PRO  18   8.238   7.684   0.317
  110    H    TRP  19           HN       TRP  19  13.653   6.852   1.399
  111    HA   TRP  19           HA       TRP  19  13.420   4.814   3.349
  112    HB2  TRP  19           HB2      TRP  19  15.702   6.237   2.128
  113    HB3  TRP  19           HB1      TRP  19  15.959   5.501   3.719
  114    HD1  TRP  19           HD1      TRP  19  14.536   4.461   0.276
  115    HE1  TRP  19           HE1      TRP  19  15.031   1.960  -0.031
  116    HE3  TRP  19          3HE       TRP  19  16.802   3.505   4.756
  117    HZ2  TRP  19           HZ2      TRP  19  16.202  -0.110   1.413
  118    HZ3  TRP  19           HZ3      TRP  19  17.585   1.222   5.204
  119    HH2  TRP  19          2HH       TRP  19  17.293  -0.549   3.565
  120    HA   PRO  20           HA       PRO  20  14.789   4.043   4.893
  121    HB2  PRO  20           HB2      PRO  20  14.858   3.342   7.451
  122    HB3  PRO  20           HB1      PRO  20  16.021   4.511   6.817
  123    HG2  PRO  20           HG2      PRO  20  13.659   4.956   8.559
  124    HG3  PRO  20           HG1      PRO  20  15.172   5.867   8.463
  125    HD2  PRO  20           HD2      PRO  20  12.669   6.515   7.241
  126    HD3  PRO  20           HD1      PRO  20  14.212   7.364   7.048
  127    H    LEU  21           HN       LEU  21  11.890   4.790   4.737
  128    HA   LEU  21           HA       LEU  21  10.584   2.558   5.975
  129    HB2  LEU  21           HB2      LEU  21   9.832   4.531   3.890
  130    HB3  LEU  21           HB1      LEU  21   8.683   3.324   4.476
  131    HG   LEU  21           HG       LEU  21   9.932   5.572   6.089
  132   HD11  LEU  21          HD11      LEU  21   7.671   6.504   6.113
  133   HD12  LEU  21          HD12      LEU  21   7.123   5.197   5.060
  134   HD13  LEU  21          HD13      LEU  21   8.299   6.373   4.470
  135   HD21  LEU  21          HD21      LEU  21   9.483   3.616   7.476
  136   HD22  LEU  21          HD22      LEU  21   7.844   3.534   6.831
  137   HD23  LEU  21          HD23      LEU  21   8.328   4.905   7.832
  138    H    GLY  22           HN       GLY  22  11.048   3.543   2.579
  139    HA2  GLY  22           HA2      GLY  22  11.582   2.336   0.711
  140    HA3  GLY  22           HA1      GLY  22  12.191   1.083   1.787
  141    H    HIS  23           HN       HIS  23  11.289  -0.772   1.236
  142    HA   HIS  23           HA       HIS  23   8.599  -0.849   0.188
  143    HB2  HIS  23           HB2      HIS  23  10.536  -3.125   0.735
  144    HB3  HIS  23           HB1      HIS  23   8.967  -3.303  -0.026
  145    HD1  HIS  23           HD1      HIS  23   8.823  -2.699  -2.569
  146    HD2  HIS  23           HD2      HIS  23  12.552  -2.056  -0.852
  147    HE1  HIS  23           HE1      HIS  23  10.392  -2.267  -4.468
  148    H    GLN  24           HN       GLN  24   7.462  -0.149   1.972
  149    HA   GLN  24           HA       GLN  24   7.490  -1.755   4.383
  150    HB2  GLN  24           HB2      GLN  24   5.608   0.448   3.506
  151    HB3  GLN  24           HB1      GLN  24   5.472  -0.391   5.042
  152    HG2  GLN  24           HG2      GLN  24   7.898   1.168   4.171
  153    HG3  GLN  24           HG1      GLN  24   6.606   1.823   5.171
  154   HE21  GLN  24          1HE2      GLN  24   6.235  -0.637   6.721
  155   HE22  GLN  24          2HE2      GLN  24   7.609  -0.769   7.737
  156    H    CYS  25           HN       CYS  25   5.502  -1.395   1.554
  157    HA   CYS  25           HA       CYS  25   3.998  -2.687   0.516
  158    HB2  CYS  25           HB2      CYS  25   5.100  -4.880   2.276
  159    HB3  CYS  25           HB1      CYS  25   4.079  -5.138   0.863
  160    H    PHE  26           HN       PHE  26   1.981  -4.170   0.822
  161    HA   PHE  26           HA       PHE  26   0.760  -3.589   3.393
  162    HB2  PHE  26           HB2      PHE  26  -0.426  -3.442   0.617
  163    HB3  PHE  26           HB1      PHE  26  -1.432  -3.602   2.050
  164    HD1  PHE  26           HD1      PHE  26   0.962  -1.394   0.298
  165    HD2  PHE  26           HD2      PHE  26  -1.866  -1.760   3.452
  166    HE1  PHE  26           HE1      PHE  26   0.995   1.049   0.617
  167    HE2  PHE  26           HE2      PHE  26  -1.834   0.673   3.771
  168    HZ   PHE  26           HZ       PHE  26  -0.399   2.081   2.350
  169    HA   PRO  27           HA       PRO  27   0.379  -7.989   3.894
  170    HB2  PRO  27           HB2      PRO  27  -2.298  -7.183   4.962
  171    HB3  PRO  27           HB1      PRO  27  -1.101  -8.277   5.668
  172    HG2  PRO  27           HG2      PRO  27  -1.361  -5.824   6.613
  173    HG3  PRO  27           HG1      PRO  27   0.247  -6.538   6.398
  174    HD2  PRO  27           HD2      PRO  27  -1.124  -4.457   4.762
  175    HD3  PRO  27           HD1      PRO  27   0.596  -4.658   5.147
  176    H    ASP  28           HN       ASP  28  -2.657  -6.361   3.017
  177    HA   ASP  28           HA       ASP  28  -3.053  -8.438   0.972
  178    HB2  ASP  28           HB2      ASP  28  -4.791  -8.534   2.718
  179    HB3  ASP  28           HB1      ASP  28  -5.183  -6.844   2.425
  Start of MODEL    5
    1    H1   GLY   1           HN       GLY   1  -5.286  -6.088   0.695
    2    HA2  GLY   1           HA2      GLY   1  -4.031  -3.839  -0.487
    3    HA3  GLY   1           HA1      GLY   1  -5.627  -4.456  -0.875
    4    H    PHE   2           HN       PHE   2  -4.660  -1.720  -0.585
    5    HA   PHE   2           HA       PHE   2  -6.137  -0.818   1.753
    6    HB2  PHE   2           HB2      PHE   2  -5.047   1.378   1.364
    7    HB3  PHE   2           HB1      PHE   2  -3.880   0.089   1.585
    8    HD1  PHE   2           HD1      PHE   2  -2.672  -0.822  -0.482
    9    HD2  PHE   2           HD2      PHE   2  -5.052   2.711  -0.558
   10    HE1  PHE   2           HE1      PHE   2  -1.555  -0.116  -2.540
   11    HE2  PHE   2           HE2      PHE   2  -3.939   3.411  -2.618
   12    HZ   PHE   2           HZ       PHE   2  -2.184   2.001  -3.618
   13    H    CYS   3           HN       CYS   3  -8.029   0.231   1.596
   14    HA   CYS   3           HA       CYS   3  -8.929   1.107  -1.034
   15    HB2  CYS   3           HB2      CYS   3 -10.536  -0.677   0.815
   16    HB3  CYS   3           HB1      CYS   3 -11.038  -0.056  -0.754
   17    H    TRP   4           HN       TRP   4 -10.562   2.706  -0.886
   18    HA   TRP   4           HA       TRP   4 -11.023   3.707   1.828
   19    HB2  TRP   4           HB2      TRP   4 -10.665   5.351  -0.687
   20    HB3  TRP   4           HB1      TRP   4 -11.176   6.008   0.863
   21    HD1  TRP   4           HD1      TRP   4  -9.285   5.766   2.898
   22    HE1  TRP   4           HE1      TRP   4  -6.729   5.959   2.748
   23    HE3  TRP   4          3HE       TRP   4  -8.707   4.995  -2.118
   24    HZ2  TRP   4           HZ2      TRP   4  -4.726   5.830   0.763
   25    HZ3  TRP   4           HZ3      TRP   4  -6.437   5.054  -3.067
   26    HH2  TRP   4          2HH       TRP   4  -4.490   5.462  -1.652
   27    H    HIS   5           HN       HIS   5 -12.480   4.802  -1.212
   28    HA   HIS   5           HA       HIS   5 -15.007   3.774  -0.164
   29    HB2  HIS   5           HB2      HIS   5 -14.547   6.281  -1.808
   30    HB3  HIS   5           HB1      HIS   5 -16.141   5.616  -1.476
   31    HD1  HIS   5           HD1      HIS   5 -17.116   6.064   0.869
   32    HD2  HIS   5           HD2      HIS   5 -13.241   7.462   0.360
   33    HE1  HIS   5           HE1      HIS   5 -16.633   7.530   2.872
   34    H    HIS   6           HN       HIS   6 -14.251   5.059  -3.379
   35    HA   HIS   6           HA       HIS   6 -15.209   2.532  -4.442
   36    HB2  HIS   6           HB2      HIS   6 -14.686   5.178  -5.809
   37    HB3  HIS   6           HB1      HIS   6 -15.104   3.710  -6.684
   38    HD1  HIS   6           HD1      HIS   6 -16.649   6.603  -5.127
   39    HD2  HIS   6           HD2      HIS   6 -17.690   2.638  -5.803
   40    HE1  HIS   6           HE1      HIS   6 -19.146   6.492  -4.909
   41    H    SER   7           HN       SER   7 -12.296   4.359  -4.133
   42    HA   SER   7           HA       SER   7 -10.818   2.706  -5.920
   43    HB2  SER   7           HB2      SER   7  -9.876   4.538  -3.713
   44    HB3  SER   7           HB1      SER   7  -8.862   3.876  -4.990
   45    HG   SER   7           HG       SER   7  -9.500   5.983  -5.453
   46    H    CYS   8           HN       CYS   8 -10.238   0.699  -5.450
   47    HA   CYS   8           HA       CYS   8  -9.562  -0.016  -2.726
   48    HB2  CYS   8           HB2      CYS   8 -12.005  -0.559  -3.131
   49    HB3  CYS   8           HB1      CYS   8 -11.472  -1.660  -4.396
   50    H    VAL   9           HN       VAL   9  -7.596  -0.787  -2.888
   51    HA   VAL   9           HA       VAL   9  -6.717  -1.909  -5.427
   52    HB   VAL   9           HB       VAL   9  -5.088  -0.965  -3.045
   53   HG11  VAL   9          HG11      VAL   9  -4.265  -1.495  -5.890
   54   HG12  VAL   9          HG12      VAL   9  -3.875  -2.496  -4.489
   55   HG13  VAL   9          3HG1      VAL   9  -3.239  -0.854  -4.609
   56   HG21  VAL   9          HG21      VAL   9  -6.364   0.883  -3.929
   57   HG22  VAL   9          HG22      VAL   9  -5.809   0.515  -5.560
   58   HG23  VAL   9          HG23      VAL   9  -4.659   1.072  -4.341
   59    HA   PRO  10           HA       PRO  10  -6.836  -5.976  -3.560
   60    HB2  PRO  10           HB2      PRO  10  -5.048  -7.204  -5.186
   61    HB3  PRO  10           HB1      PRO  10  -6.734  -6.889  -5.653
   62    HG2  PRO  10           HG2      PRO  10  -4.244  -5.356  -6.313
   63    HG3  PRO  10           HG1      PRO  10  -5.603  -5.776  -7.371
   64    HD2  PRO  10           HD2      PRO  10  -5.362  -3.333  -6.320
   65    HD3  PRO  10           HD1      PRO  10  -6.954  -4.097  -6.502
   66    H    SER  11           HN       SER  11  -5.610  -7.398  -2.347
   67    HA   SER  11           HA       SER  11  -3.358  -6.441  -0.970
   68    HB2  SER  11           HB2      SER  11  -4.440  -9.258  -1.197
   69    HB3  SER  11           HB1      SER  11  -3.355  -8.663   0.062
   70    HG   SER  11           HG       SER  11  -6.045  -8.459  -0.116
   71    H    GLY  12           HN       GLY  12  -1.200  -6.914  -1.208
   72    HA2  GLY  12           HA2      GLY  12   0.554  -8.338  -2.140
   73    HA3  GLY  12           HA1      GLY  12  -0.454  -8.512  -3.574
   74    H    THR  13           HN       THR  13  -1.132  -5.594  -3.160
   75    HA   THR  13           HA       THR  13   0.669  -4.477  -5.000
   76    HB   THR  13           HB       THR  13  -1.219  -3.100  -3.076
   77    HG1  THR  13           HG1      THR  13  -2.628  -4.189  -4.268
   78   HG21  THR  13          HG21      THR  13  -1.239  -1.287  -4.733
   79   HG22  THR  13          HG22      THR  13  -0.086  -2.173  -5.734
   80   HG23  THR  13          HG23      THR  13   0.400  -1.566  -4.149
   81    H    CYS  14           HN       CYS  14   2.506  -3.249  -4.687
   82    HA   CYS  14           HA       CYS  14   3.197  -2.702  -1.926
   83    HB2  CYS  14           HB2      CYS  14   4.543  -4.573  -2.794
   84    HB3  CYS  14           HB1      CYS  14   5.098  -3.552  -4.116
   85    H    ALA  15           HN       ALA  15   4.450  -0.843  -1.574
   86    HA   ALA  15           HA       ALA  15   4.551   1.085  -3.749
   87    HB1  ALA  15           HB1      ALA  15   3.760   2.793  -2.162
   88    HB2  ALA  15           HB2      ALA  15   3.501   1.542  -0.962
   89    HB3  ALA  15           HB3      ALA  15   2.535   1.554  -2.448
   90    H    ASP  16           HN       ASP  16   6.365   2.353  -3.608
   91    HA   ASP  16           HA       ASP  16   8.229   1.611  -1.519
   92    HB2  ASP  16           HB2      ASP  16   9.978   2.615  -2.829
   93    HB3  ASP  16           HB1      ASP  16   8.987   1.694  -3.933
   94    H    PHE  17           HN       PHE  17   8.706   2.838   0.086
   95    HA   PHE  17           HA       PHE  17   7.468   5.484   0.281
   96    HB2  PHE  17           HB2      PHE  17   8.075   3.416   2.411
   97    HB3  PHE  17           HB1      PHE  17   7.426   5.013   2.736
   98    HD1  PHE  17           HD1      PHE  17   5.170   5.588   1.650
   99    HD2  PHE  17           HD2      PHE  17   6.664   1.621   2.013
  100    HE1  PHE  17           HE1      PHE  17   2.901   4.718   1.424
  101    HE2  PHE  17           HE2      PHE  17   4.402   0.740   1.792
  102    HZ   PHE  17           HZ       PHE  17   2.503   2.279   1.493
  103    HA   PRO  18           HA       PRO  18  11.539   7.324   1.197
  104    HB2  PRO  18           HB2      PRO  18  10.497   8.087   3.859
  105    HB3  PRO  18           HB1      PRO  18  11.210   9.100   2.602
  106    HG2  PRO  18           HG2      PRO  18   8.595   9.171   3.109
  107    HG3  PRO  18           HG1      PRO  18   9.210   9.313   1.456
  108    HD2  PRO  18           HD2      PRO  18   7.925   7.003   2.817
  109    HD3  PRO  18           HD1      PRO  18   7.807   7.510   1.122
  110    H    TRP  19           HN       TRP  19  13.338   6.726   2.103
  111    HA   TRP  19           HA       TRP  19  13.512   4.368   3.603
  112    HB2  TRP  19           HB2      TRP  19  15.517   4.620   2.572
  113    HB3  TRP  19           HB1      TRP  19  15.272   6.339   2.362
  114    HD1  TRP  19           HD1      TRP  19  16.211   7.903   4.214
  115    HE1  TRP  19           HE1      TRP  19  18.187   7.627   5.894
  116    HE3  TRP  19          3HE       TRP  19  16.706   2.849   4.009
  117    HZ2  TRP  19           HZ2      TRP  19  19.717   5.505   6.952
  118    HZ3  TRP  19           HZ3      TRP  19  18.441   1.761   5.364
  119    HH2  TRP  19          2HH       TRP  19  19.914   3.063   6.808
  120    HA   PRO  20           HA       PRO  20  14.887   3.516   5.151
  121    HB2  PRO  20           HB2      PRO  20  14.861   2.307   7.481
  122    HB3  PRO  20           HB1      PRO  20  15.903   3.717   7.226
  123    HG2  PRO  20           HG2      PRO  20  13.268   3.538   8.624
  124    HG3  PRO  20           HG1      PRO  20  14.714   4.454   9.084
  125    HD2  PRO  20           HD2      PRO  20  12.493   5.486   7.726
  126    HD3  PRO  20           HD1      PRO  20  14.092   6.247   7.815
  127    H    LEU  21           HN       LEU  21  11.808   4.099   5.217
  128    HA   LEU  21           HA       LEU  21  10.684   1.558   5.866
  129    HB2  LEU  21           HB2      LEU  21   9.857   3.890   4.283
  130    HB3  LEU  21           HB1      LEU  21   8.748   2.522   4.478
  131    HG   LEU  21           HG       LEU  21   9.799   4.371   6.654
  132   HD11  LEU  21          HD11      LEU  21   7.045   4.084   5.458
  133   HD12  LEU  21          HD12      LEU  21   8.150   5.434   5.203
  134   HD13  LEU  21          HD13      LEU  21   7.480   5.134   6.807
  135   HD21  LEU  21          HD21      LEU  21   8.219   3.205   8.128
  136   HD22  LEU  21          HD22      LEU  21   9.447   2.102   7.505
  137   HD23  LEU  21          HD23      LEU  21   7.821   2.099   6.814
  138    H    GLY  22           HN       GLY  22  11.031   3.242   2.745
  139    HA2  GLY  22           HA2      GLY  22  11.545   2.454   0.671
  140    HA3  GLY  22           HA1      GLY  22  12.226   1.023   1.440
  141    H    HIS  23           HN       HIS  23  11.322  -0.652   0.404
  142    HA   HIS  23           HA       HIS  23   8.530  -0.550  -0.321
  143    HB2  HIS  23           HB2      HIS  23  10.642  -2.637  -0.809
  144    HB3  HIS  23           HB1      HIS  23   8.943  -2.959  -1.107
  145    HD1  HIS  23           HD1      HIS  23   8.082  -2.308  -3.365
  146    HD2  HIS  23           HD2      HIS  23  11.675  -0.454  -2.425
  147    HE1  HIS  23           HE1      HIS  23   8.786  -1.065  -5.436
  148    H    GLN  24           HN       GLN  24   7.629  -0.377   1.652
  149    HA   GLN  24           HA       GLN  24   7.831  -2.497   3.586
  150    HB2  GLN  24           HB2      GLN  24   5.844  -0.240   3.304
  151    HB3  GLN  24           HB1      GLN  24   5.866  -1.371   4.649
  152    HG2  GLN  24           HG2      GLN  24   8.119   0.468   3.898
  153    HG3  GLN  24           HG1      GLN  24   6.946   0.765   5.183
  154   HE21  GLN  24          1HE2      GLN  24   7.006  -0.524   7.005
  155   HE22  GLN  24          2HE2      GLN  24   8.395  -1.447   7.444
  156    H    CYS  25           HN       CYS  25   5.731  -1.597   0.998
  157    HA   CYS  25           HA       CYS  25   4.220  -2.659  -0.234
  158    HB2  CYS  25           HB2      CYS  25   5.200  -5.165   1.142
  159    HB3  CYS  25           HB1      CYS  25   4.218  -5.118  -0.326
  160    H    PHE  26           HN       PHE  26   2.110  -4.034  -0.133
  161    HA   PHE  26           HA       PHE  26   0.904  -3.518   2.465
  162    HB2  PHE  26           HB2      PHE  26  -0.308  -3.360  -0.288
  163    HB3  PHE  26           HB1      PHE  26  -1.245  -3.298   1.200
  164    HD1  PHE  26           HD1      PHE  26   0.714  -1.444  -1.148
  165    HD2  PHE  26           HD2      PHE  26  -0.773  -1.483   2.819
  166    HE1  PHE  26           HE1      PHE  26   1.081   0.987  -1.000
  167    HE2  PHE  26           HE2      PHE  26  -0.413   0.952   2.987
  168    HZ   PHE  26           HZ       PHE  26   0.508   2.188   1.069
  169    HA   PRO  27           HA       PRO  27   0.624  -8.066   2.697
  170    HB2  PRO  27           HB2      PRO  27  -0.939  -6.800   4.926
  171    HB3  PRO  27           HB1      PRO  27   0.052  -8.272   4.999
  172    HG2  PRO  27           HG2      PRO  27   1.043  -6.062   5.945
  173    HG3  PRO  27           HG1      PRO  27   2.051  -7.011   4.832
  174    HD2  PRO  27           HD2      PRO  27   0.529  -4.498   4.338
  175    HD3  PRO  27           HD1      PRO  27   2.116  -4.997   3.716
  176    H    ASP  28           HN       ASP  28  -1.966  -5.841   3.562
  177    HA   ASP  28           HA       ASP  28  -3.841  -7.358   1.903
  178    HB2  ASP  28           HB2      ASP  28  -5.631  -6.628   3.362
  179    HB3  ASP  28           HB1      ASP  28  -4.389  -7.367   4.364
  Start of MODEL    6
    1    H1   GLY   1           HN       GLY   1  -4.636  -5.304   1.016
    2    HA2  GLY   1           HA2      GLY   1  -3.126  -3.131  -0.025
    3    HA3  GLY   1           HA1      GLY   1  -4.582  -3.811  -0.771
    4    H    PHE   2           HN       PHE   2  -3.848  -1.071  -0.514
    5    HA   PHE   2           HA       PHE   2  -5.363   0.061   1.610
    6    HB2  PHE   2           HB2      PHE   2  -4.782   2.255   0.543
    7    HB3  PHE   2           HB1      PHE   2  -3.392   1.264   0.951
    8    HD1  PHE   2           HD1      PHE   2  -5.184   2.958  -1.667
    9    HD2  PHE   2           HD2      PHE   2  -2.189   0.055  -0.884
   10    HE1  PHE   2           HE1      PHE   2  -4.349   3.197  -3.972
   11    HE2  PHE   2           HE2      PHE   2  -1.355   0.279  -3.175
   12    HZ   PHE   2           HZ       PHE   2  -2.427   1.845  -4.726
   13    H    CYS   3           HN       CYS   3  -7.370   0.673   1.617
   14    HA   CYS   3           HA       CYS   3  -8.815   0.833  -0.903
   15    HB2  CYS   3           HB2      CYS   3  -9.702  -0.693   1.553
   16    HB3  CYS   3           HB1      CYS   3 -10.723  -0.348   0.165
   17    H    TRP   4           HN       TRP   4 -10.253   2.381  -0.994
   18    HA   TRP   4           HA       TRP   4 -11.022   3.785   1.476
   19    HB2  TRP   4           HB2      TRP   4 -11.026   5.057  -1.268
   20    HB3  TRP   4           HB1      TRP   4 -11.059   5.847   0.297
   21    HD1  TRP   4           HD1      TRP   4  -8.586   5.722   1.674
   22    HE1  TRP   4           HE1      TRP   4  -6.214   5.923   0.644
   23    HE3  TRP   4          3HE       TRP   4  -9.767   4.659  -3.099
   24    HZ2  TRP   4           HZ2      TRP   4  -5.033   5.658  -1.911
   25    HZ3  TRP   4           HZ3      TRP   4  -7.965   4.644  -4.834
   26    HH2  TRP   4          2HH       TRP   4  -5.659   5.135  -4.229
   27    H    HIS   5           HN       HIS   5 -13.026   5.219   0.073
   28    HA   HIS   5           HA       HIS   5 -14.640   3.025  -0.966
   29    HB2  HIS   5           HB2      HIS   5 -15.603   5.506   0.496
   30    HB3  HIS   5           HB1      HIS   5 -16.659   4.384  -0.338
   31    HD1  HIS   5           HD1      HIS   5 -17.921   3.375   1.572
   32    HD2  HIS   5           HD2      HIS   5 -13.831   3.371   2.225
   33    HE1  HIS   5           HE1      HIS   5 -17.551   2.076   3.706
   34    H    HIS   6           HN       HIS   6 -13.651   3.330  -2.832
   35    HA   HIS   6           HA       HIS   6 -14.764   5.001  -4.768
   36    HB2  HIS   6           HB2      HIS   6 -13.366   6.750  -3.558
   37    HB3  HIS   6           HB1      HIS   6 -11.945   5.781  -3.909
   38    HD1  HIS   6           HD1      HIS   6 -14.458   8.029  -5.559
   39    HD2  HIS   6           HD2      HIS   6 -10.955   6.013  -6.484
   40    HE1  HIS   6           HE1      HIS   6 -13.709   8.921  -7.801
   41    H    SER   7           HN       SER   7 -11.756   3.570  -3.642
   42    HA   SER   7           HA       SER   7 -11.889   1.515  -5.662
   43    HB2  SER   7           HB2      SER   7  -9.432   3.236  -5.241
   44    HB3  SER   7           HB1      SER   7  -9.573   1.872  -6.350
   45    HG   SER   7           HG       SER   7 -11.546   3.437  -6.954
   46    H    CYS   8           HN       CYS   8 -11.300  -0.385  -4.750
   47    HA   CYS   8           HA       CYS   8  -9.780  -0.313  -2.260
   48    HB2  CYS   8           HB2      CYS   8 -12.130  -1.131  -2.015
   49    HB3  CYS   8           HB1      CYS   8 -11.796  -2.376  -3.207
   50    H    VAL   9           HN       VAL   9  -7.737  -0.747  -2.808
   51    HA   VAL   9           HA       VAL   9  -7.187  -2.354  -5.142
   52    HB   VAL   9           HB       VAL   9  -5.279  -0.940  -3.238
   53   HG11  VAL   9          HG11      VAL   9  -3.640  -1.107  -5.037
   54   HG12  VAL   9          HG12      VAL   9  -4.806  -1.973  -6.032
   55   HG13  VAL   9          3HG1      VAL   9  -4.197  -2.708  -4.548
   56   HG21  VAL   9          HG21      VAL   9  -6.415   0.005  -5.870
   57   HG22  VAL   9          HG22      VAL   9  -5.158   0.826  -4.942
   58   HG23  VAL   9          HG23      VAL   9  -6.779   0.660  -4.272
   59    HA   PRO  10           HA       PRO  10  -6.912  -6.037  -2.702
   60    HB2  PRO  10           HB2      PRO  10  -5.369  -7.519  -4.373
   61    HB3  PRO  10           HB1      PRO  10  -7.113  -7.291  -4.596
   62    HG2  PRO  10           HG2      PRO  10  -4.819  -5.900  -5.925
   63    HG3  PRO  10           HG1      PRO  10  -6.346  -6.456  -6.632
   64    HD2  PRO  10           HD2      PRO  10  -5.913  -3.881  -6.021
   65    HD3  PRO  10           HD1      PRO  10  -7.518  -4.620  -5.846
   66    H    SER  11           HN       SER  11  -5.495  -7.226  -1.475
   67    HA   SER  11           HA       SER  11  -3.113  -6.015  -0.652
   68    HB2  SER  11           HB2      SER  11  -4.145  -8.819  -0.207
   69    HB3  SER  11           HB1      SER  11  -2.933  -7.984   0.773
   70    HG   SER  11           HG       SER  11  -5.501  -7.937   1.175
   71    H    GLY  12           HN       GLY  12  -0.986  -6.565  -1.119
   72    HA2  GLY  12           HA2      GLY  12   0.596  -8.073  -2.140
   73    HA3  GLY  12           HA1      GLY  12  -0.633  -8.454  -3.344
   74    H    THR  13           HN       THR  13  -1.196  -5.391  -3.014
   75    HA   THR  13           HA       THR  13   0.269  -4.605  -5.283
   76    HB   THR  13           HB       THR  13  -1.932  -3.645  -4.928
   77    HG1  THR  13           HG1      THR  13  -1.076  -2.100  -5.988
   78   HG21  THR  13          HG21      THR  13  -0.733  -2.377  -2.510
   79   HG22  THR  13          HG22      THR  13  -1.894  -3.708  -2.524
   80   HG23  THR  13          HG23      THR  13  -2.386  -2.094  -3.096
   81    H    CYS  14           HN       CYS  14   2.196  -3.614  -5.420
   82    HA   CYS  14           HA       CYS  14   3.492  -3.129  -2.875
   83    HB2  CYS  14           HB2      CYS  14   4.649  -3.814  -5.561
   84    HB3  CYS  14           HB1      CYS  14   5.638  -3.295  -4.196
   85    H    ALA  15           HN       ALA  15   4.982  -1.386  -2.611
   86    HA   ALA  15           HA       ALA  15   4.740   0.875  -4.336
   87    HB1  ALA  15           HB1      ALA  15   3.807   2.332  -2.605
   88    HB2  ALA  15           HB2      ALA  15   3.629   0.954  -1.531
   89    HB3  ALA  15           HB3      ALA  15   2.665   1.045  -3.010
   90    H    ASP  16           HN       ASP  16   6.463   2.140  -4.055
   91    HA   ASP  16           HA       ASP  16   8.487   1.390  -2.124
   92    HB2  ASP  16           HB2      ASP  16   9.182   1.841  -4.421
   93    HB3  ASP  16           HB1      ASP  16   8.429   3.429  -4.361
   94    H    PHE  17           HN       PHE  17   8.557   2.354  -0.191
   95    HA   PHE  17           HA       PHE  17   7.130   4.874   0.140
   96    HB2  PHE  17           HB2      PHE  17   7.916   2.767   2.156
   97    HB3  PHE  17           HB1      PHE  17   7.086   4.265   2.542
   98    HD1  PHE  17           HD1      PHE  17   6.747   0.864   1.503
   99    HD2  PHE  17           HD2      PHE  17   4.803   4.642   1.555
  100    HE1  PHE  17           HE1      PHE  17   4.594  -0.248   1.152
  101    HE2  PHE  17           HE2      PHE  17   2.653   3.550   1.204
  102    HZ   PHE  17           HZ       PHE  17   2.538   1.090   1.003
  103    HA   PRO  18           HA       PRO  18  10.989   6.895   1.233
  104    HB2  PRO  18           HB2      PRO  18   9.629   8.065   3.586
  105    HB3  PRO  18           HB1      PRO  18  10.381   8.878   2.218
  106    HG2  PRO  18           HG2      PRO  18   7.724   8.807   2.498
  107    HG3  PRO  18           HG1      PRO  18   8.490   8.715   0.903
  108    HD2  PRO  18           HD2      PRO  18   7.298   6.530   2.562
  109    HD3  PRO  18           HD1      PRO  18   7.231   6.801   0.808
  110    H    TRP  19           HN       TRP  19  12.500   7.118   3.081
  111    HA   TRP  19           HA       TRP  19  12.712   4.686   4.491
  112    HB2  TRP  19           HB2      TRP  19  14.362   7.118   4.251
  113    HB3  TRP  19           HB1      TRP  19  14.590   6.161   5.715
  114    HD1  TRP  19           HD1      TRP  19  14.622   5.637   1.877
  115    HE1  TRP  19           HE1      TRP  19  16.260   3.706   1.394
  116    HE3  TRP  19          3HE       TRP  19  15.868   4.384   6.660
  117    HZ2  TRP  19           HZ2      TRP  19  17.837   1.922   2.830
  118    HZ3  TRP  19           HZ3      TRP  19  17.467   2.547   7.022
  119    HH2  TRP  19          2HH       TRP  19  18.434   1.342   5.144
  120    HA   PRO  20           HA       PRO  20  13.762   3.871   6.139
  121    HB2  PRO  20           HB2      PRO  20  13.565   2.522   8.392
  122    HB3  PRO  20           HB1      PRO  20  14.324   4.121   8.392
  123    HG2  PRO  20           HG2      PRO  20  11.622   3.309   9.346
  124    HG3  PRO  20           HG1      PRO  20  12.728   4.526  10.003
  125    HD2  PRO  20           HD2      PRO  20  10.527   4.981   8.274
  126    HD3  PRO  20           HD1      PRO  20  11.776   6.156   8.735
  127    H    LEU  21           HN       LEU  21  10.691   3.919   5.709
  128    HA   LEU  21           HA       LEU  21   9.838   1.231   6.024
  129    HB2  LEU  21           HB2      LEU  21   9.015   3.512   4.340
  130    HB3  LEU  21           HB1      LEU  21   8.127   1.986   4.274
  131    HG   LEU  21           HG       LEU  21   8.405   3.796   6.700
  132   HD11  LEU  21          HD11      LEU  21   7.028   4.800   4.949
  133   HD12  LEU  21          HD12      LEU  21   6.030   4.284   6.309
  134   HD13  LEU  21          HD13      LEU  21   6.080   3.319   4.835
  135   HD21  LEU  21          HD21      LEU  21   6.696   2.359   7.685
  136   HD22  LEU  21          HD22      LEU  21   8.131   1.420   7.272
  137   HD23  LEU  21          HD23      LEU  21   6.702   1.347   6.244
  138    H    GLY  22           HN       GLY  22  10.653   3.104   3.114
  139    HA2  GLY  22           HA2      GLY  22  11.718   2.466   1.173
  140    HA3  GLY  22           HA1      GLY  22  12.275   1.024   2.022
  141    H    HIS  23           HN       HIS  23  11.790  -0.406   0.365
  142    HA   HIS  23           HA       HIS  23   9.079  -0.429  -0.591
  143    HB2  HIS  23           HB2      HIS  23  10.914  -1.013  -2.163
  144    HB3  HIS  23           HB1      HIS  23  11.275  -2.435  -1.187
  145    HD1  HIS  23           HD1      HIS  23  10.117  -4.550  -1.981
  146    HD2  HIS  23           HD2      HIS  23   8.125  -1.089  -3.143
  147    HE1  HIS  23           HE1      HIS  23   8.159  -5.296  -3.371
  148    H    GLN  24           HN       GLN  24   7.926  -0.774   1.167
  149    HA   GLN  24           HA       GLN  24   8.222  -3.271   2.634
  150    HB2  GLN  24           HB2      GLN  24   6.385  -0.915   3.009
  151    HB3  GLN  24           HB1      GLN  24   6.261  -2.397   3.941
  152    HG2  GLN  24           HG2      GLN  24   8.679  -0.617   3.846
  153    HG3  GLN  24           HG1      GLN  24   7.467  -0.631   5.129
  154   HE21  GLN  24          1HE2      GLN  24  10.154  -2.299   3.716
  155   HE22  GLN  24          2HE2      GLN  24  10.336  -3.474   4.960
  156    H    CYS  25           HN       CYS  25   6.235  -1.805   0.210
  157    HA   CYS  25           HA       CYS  25   4.518  -2.499  -1.055
  158    HB2  CYS  25           HB2      CYS  25   6.019  -4.456  -1.512
  159    HB3  CYS  25           HB1      CYS  25   5.348  -5.291  -0.123
  160    H    PHE  26           HN       PHE  26   2.337  -4.103  -0.781
  161    HA   PHE  26           HA       PHE  26   1.400  -3.433   1.896
  162    HB2  PHE  26           HB2      PHE  26  -0.021  -3.369  -0.727
  163    HB3  PHE  26           HB1      PHE  26  -0.903  -3.497   0.787
  164    HD1  PHE  26           HD1      PHE  26   0.907  -1.318  -1.443
  165    HD2  PHE  26           HD2      PHE  26  -0.733  -1.728   2.448
  166    HE1  PHE  26           HE1      PHE  26   0.981   1.120  -1.168
  167    HE2  PHE  26           HE2      PHE  26  -0.671   0.718   2.743
  168    HZ   PHE  26           HZ       PHE  26   0.190   2.142   0.928
  169    HA   PRO  27           HA       PRO  27   0.848  -7.911   2.365
  170    HB2  PRO  27           HB2      PRO  27   0.053  -6.808   5.003
  171    HB3  PRO  27           HB1      PRO  27   1.186  -8.134   4.665
  172    HG2  PRO  27           HG2      PRO  27   2.080  -5.790   5.483
  173    HG3  PRO  27           HG1      PRO  27   2.926  -6.634   4.172
  174    HD2  PRO  27           HD2      PRO  27   1.007  -4.343   4.028
  175    HD3  PRO  27           HD1      PRO  27   2.540  -4.600   3.160
  176    H    ASP  28           HN       ASP  28  -1.045  -5.164   3.161
  177    HA   ASP  28           HA       ASP  28  -3.566  -6.509   2.495
  178    HB2  ASP  28           HB2      ASP  28  -3.401  -6.095   4.990
  179    HB3  ASP  28           HB1      ASP  28  -3.136  -4.395   4.561
  Start of MODEL    7
    1    H1   GLY   1           HN       GLY   1  -4.699  -5.126   1.633
    2    HA2  GLY   1           HA2      GLY   1  -3.793  -3.413  -0.511
    3    HA3  GLY   1           HA1      GLY   1  -5.315  -4.278  -0.748
    4    H    PHE   2           HN       PHE   2  -6.432  -2.257  -0.748
    5    HA   PHE   2           HA       PHE   2  -7.561  -1.595   1.706
    6    HB2  PHE   2           HB2      PHE   2  -6.783   0.771   1.949
    7    HB3  PHE   2           HB1      PHE   2  -5.497  -0.388   2.225
    8    HD1  PHE   2           HD1      PHE   2  -3.825  -0.786   0.325
    9    HD2  PHE   2           HD2      PHE   2  -6.546   2.492   0.386
   10    HE1  PHE   2           HE1      PHE   2  -2.423   0.398  -1.274
   11    HE2  PHE   2           HE2      PHE   2  -5.129   3.679  -1.234
   12    HZ   PHE   2           HZ       PHE   2  -3.056   2.608  -2.064
   13    H    CYS   3           HN       CYS   3  -9.364  -0.204   1.402
   14    HA   CYS   3           HA       CYS   3  -9.821   0.456  -1.414
   15    HB2  CYS   3           HB2      CYS   3 -11.050  -1.592  -0.839
   16    HB3  CYS   3           HB1      CYS   3 -11.829  -0.757   0.502
   17    H    TRP   4           HN       TRP   4 -10.965   2.342  -1.814
   18    HA   TRP   4           HA       TRP   4 -11.087   4.075   0.491
   19    HB2  TRP   4           HB2      TRP   4 -11.401   4.684  -2.457
   20    HB3  TRP   4           HB1      TRP   4 -11.588   5.886  -1.186
   21    HD1  TRP   4           HD1      TRP   4  -9.277   6.191   0.400
   22    HE1  TRP   4           HE1      TRP   4  -6.840   6.295  -0.383
   23    HE3  TRP   4          3HE       TRP   4  -9.797   3.944  -4.143
   24    HZ2  TRP   4           HZ2      TRP   4  -5.323   5.541  -2.644
   25    HZ3  TRP   4           HZ3      TRP   4  -7.805   3.677  -5.569
   26    HH2  TRP   4          2HH       TRP   4  -5.615   4.459  -4.830
   27    H    HIS   5           HN       HIS   5 -13.327   4.311  -2.201
   28    HA   HIS   5           HA       HIS   5 -15.473   3.713  -0.278
   29    HB2  HIS   5           HB2      HIS   5 -15.532   5.632  -2.621
   30    HB3  HIS   5           HB1      HIS   5 -16.957   5.142  -1.730
   31    HD1  HIS   5           HD1      HIS   5 -17.617   6.760   0.056
   32    HD2  HIS   5           HD2      HIS   5 -13.558   6.932  -0.783
   33    HE1  HIS   5           HE1      HIS   5 -16.706   8.695   1.392
   34    H    HIS   6           HN       HIS   6 -15.032   3.915  -3.786
   35    HA   HIS   6           HA       HIS   6 -16.360   1.297  -3.959
   36    HB2  HIS   6           HB2      HIS   6 -16.447   3.561  -5.964
   37    HB3  HIS   6           HB1      HIS   6 -17.187   1.976  -6.183
   38    HD1  HIS   6           HD1      HIS   6 -17.871   5.298  -4.843
   39    HD2  HIS   6           HD2      HIS   6 -19.268   1.436  -4.232
   40    HE1  HIS   6           HE1      HIS   6 -20.050   5.528  -3.591
   41    H    SER   7           HN       SER   7 -13.575   3.068  -4.560
   42    HA   SER   7           HA       SER   7 -12.571   1.218  -6.567
   43    HB2  SER   7           HB2      SER   7 -11.253   3.624  -5.324
   44    HB3  SER   7           HB1      SER   7 -10.826   2.838  -6.851
   45    HG   SER   7           HG       SER   7 -13.203   3.430  -7.302
   46    H    CYS   8           HN       CYS   8 -11.593  -0.561  -5.742
   47    HA   CYS   8           HA       CYS   8 -10.390  -0.342  -3.089
   48    HB2  CYS   8           HB2      CYS   8 -11.586  -2.788  -4.392
   49    HB3  CYS   8           HB1      CYS   8 -10.870  -2.726  -2.790
   50    H    VAL   9           HN       VAL   9  -8.268  -0.618  -3.001
   51    HA   VAL   9           HA       VAL   9  -6.815  -1.427  -5.338
   52    HB   VAL   9           HB       VAL   9  -5.835  -0.739  -2.546
   53   HG11  VAL   9          HG11      VAL   9  -4.396  -0.791  -5.179
   54   HG12  VAL   9          HG12      VAL   9  -4.179  -1.921  -3.841
   55   HG13  VAL   9          3HG1      VAL   9  -3.719  -0.226  -3.655
   56   HG21  VAL   9          HG21      VAL   9  -7.102   1.126  -3.447
   57   HG22  VAL   9          HG22      VAL   9  -6.151   1.082  -4.930
   58   HG23  VAL   9          HG23      VAL   9  -5.383   1.512  -3.403
   59    HA   PRO  10           HA       PRO  10  -7.162  -5.639  -3.984
   60    HB2  PRO  10           HB2      PRO  10  -5.514  -6.783  -5.794
   61    HB3  PRO  10           HB1      PRO  10  -7.122  -6.183  -6.213
   62    HG2  PRO  10           HG2      PRO  10  -4.459  -4.881  -6.602
   63    HG3  PRO  10           HG1      PRO  10  -5.828  -4.980  -7.724
   64    HD2  PRO  10           HD2      PRO  10  -5.314  -2.773  -6.243
   65    HD3  PRO  10           HD1      PRO  10  -6.961  -3.261  -6.692
   66    H    SER  11           HN       SER  11  -5.860  -7.436  -3.259
   67    HA   SER  11           HA       SER  11  -3.806  -6.699  -1.508
   68    HB2  SER  11           HB2      SER  11  -4.553  -9.463  -2.482
   69    HB3  SER  11           HB1      SER  11  -3.783  -9.023  -0.955
   70    HG   SER  11           HG       SER  11  -6.194  -9.421  -1.084
   71    H    GLY  12           HN       GLY  12  -1.696  -6.607  -1.877
   72    HA2  GLY  12           HA2      GLY  12   0.311  -7.530  -2.903
   73    HA3  GLY  12           HA1      GLY  12  -0.650  -7.811  -4.355
   74    H    THR  13           HN       THR  13  -0.200  -5.078  -2.182
   75    HA   THR  13           HA       THR  13   0.525  -3.429  -4.485
   76    HB   THR  13           HB       THR  13  -1.296  -2.623  -2.179
   77    HG1  THR  13           HG1      THR  13  -2.676  -3.707  -3.462
   78   HG21  THR  13          HG21      THR  13   0.074  -0.766  -3.119
   79   HG22  THR  13          HG22      THR  13  -1.645  -0.568  -3.428
   80   HG23  THR  13          HG23      THR  13  -0.579  -1.128  -4.720
   81    H    CYS  14           HN       CYS  14   2.237  -2.032  -4.071
   82    HA   CYS  14           HA       CYS  14   3.280  -2.244  -1.392
   83    HB2  CYS  14           HB2      CYS  14   4.645  -3.354  -3.164
   84    HB3  CYS  14           HB1      CYS  14   4.925  -1.775  -3.889
   85    H    ALA  15           HN       ALA  15   4.713  -0.299  -0.794
   86    HA   ALA  15           HA       ALA  15   3.676   2.176  -1.877
   87    HB1  ALA  15           HB1      ALA  15   3.464   3.032   0.435
   88    HB2  ALA  15           HB2      ALA  15   3.811   1.409   1.042
   89    HB3  ALA  15           HB3      ALA  15   2.344   1.707   0.114
   90    H    ASP  16           HN       ASP  16   5.232   3.659  -1.984
   91    HA   ASP  16           HA       ASP  16   7.933   2.741  -1.490
   92    HB2  ASP  16           HB2      ASP  16   7.421   3.696  -3.671
   93    HB3  ASP  16           HB1      ASP  16   6.912   5.200  -2.910
   94    H    PHE  17           HN       PHE  17   8.735   3.085   0.419
   95    HA   PHE  17           HA       PHE  17   8.274   5.661   1.722
   96    HB2  PHE  17           HB2      PHE  17   8.807   2.905   2.825
   97    HB3  PHE  17           HB1      PHE  17   9.116   4.341   3.789
   98    HD1  PHE  17           HD1      PHE  17   6.541   2.236   2.264
   99    HD2  PHE  17           HD2      PHE  17   7.324   5.673   4.629
  100    HE1  PHE  17           HE1      PHE  17   4.182   2.286   2.969
  101    HE2  PHE  17           HE2      PHE  17   4.983   5.745   5.331
  102    HZ   PHE  17           HZ       PHE  17   3.395   4.042   4.505
  103    HA   PRO  18           HA       PRO  18  12.575   6.573   1.201
  104    HB2  PRO  18           HB2      PRO  18  13.202   7.710   3.603
  105    HB3  PRO  18           HB1      PRO  18  12.284   8.557   2.350
  106    HG2  PRO  18           HG2      PRO  18  11.296   7.123   4.787
  107    HG3  PRO  18           HG1      PRO  18  10.791   8.692   4.134
  108    HD2  PRO  18           HD2      PRO  18   9.350   6.474   3.739
  109    HD3  PRO  18           HD1      PRO  18   9.475   7.712   2.480
  110    H    TRP  19           HN       TRP  19  14.741   6.018   2.082
  111    HA   TRP  19           HA       TRP  19  14.605   3.418   3.198
  112    HB2  TRP  19           HB2      TRP  19  16.792   5.010   1.956
  113    HB3  TRP  19           HB1      TRP  19  17.233   3.644   2.992
  114    HD1  TRP  19           HD1      TRP  19  15.187   4.398  -0.191
  115    HE1  TRP  19           HE1      TRP  19  14.881   2.189  -1.472
  116    HE3  TRP  19          3HE       TRP  19  17.417   1.168   3.118
  117    HZ2  TRP  19           HZ2      TRP  19  15.473  -0.494  -1.113
  118    HZ3  TRP  19           HZ3      TRP  19  17.487  -1.202   2.551
  119    HH2  TRP  19          2HH       TRP  19  16.547  -2.026   0.471
  120    HA   PRO  20           HA       PRO  20  15.971   1.986   3.966
  121    HB2  PRO  20           HB2      PRO  20  16.561   0.426   5.984
  122    HB3  PRO  20           HB1      PRO  20  17.717   1.688   5.532
  123    HG2  PRO  20           HG2      PRO  20  15.802   1.614   7.827
  124    HG3  PRO  20           HG1      PRO  20  17.444   2.280   7.764
  125    HD2  PRO  20           HD2      PRO  20  15.005   3.707   7.474
  126    HD3  PRO  20           HD1      PRO  20  16.638   4.330   7.168
  127    H    LEU  21           HN       LEU  21  13.362   3.103   5.093
  128    HA   LEU  21           HA       LEU  21  11.900   0.754   5.806
  129    HB2  LEU  21           HB2      LEU  21  11.129   3.354   4.568
  130    HB3  LEU  21           HB1      LEU  21   9.932   2.172   5.094
  131    HG   LEU  21           HG       LEU  21  11.874   3.667   6.873
  132   HD11  LEU  21          HD11      LEU  21  10.159   5.115   5.952
  133   HD12  LEU  21          HD12      LEU  21   9.874   4.821   7.670
  134   HD13  LEU  21          HD13      LEU  21   8.907   3.978   6.457
  135   HD21  LEU  21          HD21      LEU  21   9.599   1.810   7.538
  136   HD22  LEU  21          HD22      LEU  21  10.535   2.744   8.703
  137   HD23  LEU  21          HD23      LEU  21  11.316   1.465   7.768
  138    H    GLY  22           HN       GLY  22  12.277   2.705   2.901
  139    HA2  GLY  22           HA2      GLY  22  12.322   2.228   0.689
  140    HA3  GLY  22           HA1      GLY  22  12.846   0.619   1.147
  141    H    HIS  23           HN       HIS  23  11.613  -0.930   0.536
  142    HA   HIS  23           HA       HIS  23   8.927  -0.316  -0.394
  143    HB2  HIS  23           HB2      HIS  23  10.596  -2.826  -0.752
  144    HB3  HIS  23           HB1      HIS  23   8.989  -2.589  -1.423
  145    HD1  HIS  23           HD1      HIS  23   9.226  -2.173  -3.902
  146    HD2  HIS  23           HD2      HIS  23  12.279  -0.399  -1.703
  147    HE1  HIS  23           HE1      HIS  23  10.687  -0.940  -5.562
  148    H    GLN  24           HN       GLN  24   8.217  -0.020   1.745
  149    HA   GLN  24           HA       GLN  24   8.127  -2.153   3.653
  150    HB2  GLN  24           HB2      GLN  24   6.448   0.341   3.381
  151    HB3  GLN  24           HB1      GLN  24   6.265  -0.803   4.699
  152    HG2  GLN  24           HG2      GLN  24   8.819   0.635   4.065
  153    HG3  GLN  24           HG1      GLN  24   7.629   1.200   5.240
  154   HE21  GLN  24          1HE2      GLN  24   7.354   0.044   7.142
  155   HE22  GLN  24          2HE2      GLN  24   8.534  -1.069   7.720
  156    H    CYS  25           HN       CYS  25   5.996  -0.935   1.221
  157    HA   CYS  25           HA       CYS  25   4.252  -1.736   0.109
  158    HB2  CYS  25           HB2      CYS  25   5.106  -4.424   1.184
  159    HB3  CYS  25           HB1      CYS  25   3.996  -4.171  -0.163
  160    H    PHE  26           HN       PHE  26   2.075  -3.014   0.374
  161    HA   PHE  26           HA       PHE  26   1.132  -2.329   3.031
  162    HB2  PHE  26           HB2      PHE  26  -0.337  -2.920   0.450
  163    HB3  PHE  26           HB1      PHE  26  -1.140  -2.649   1.991
  164    HD1  PHE  26           HD1      PHE  26   0.325  -1.132  -0.897
  165    HD2  PHE  26           HD2      PHE  26  -0.827  -0.454   3.127
  166    HE1  PHE  26           HE1      PHE  26   0.345   1.291  -1.312
  167    HE2  PHE  26           HE2      PHE  26  -0.814   1.979   2.732
  168    HZ   PHE  26           HZ       PHE  26  -0.229   2.852   0.509
  169    HA   PRO  27           HA       PRO  27   0.913  -6.562   4.350
  170    HB2  PRO  27           HB2      PRO  27  -1.845  -5.765   5.199
  171    HB3  PRO  27           HB1      PRO  27  -0.607  -6.635   6.126
  172    HG2  PRO  27           HG2      PRO  27  -1.026  -4.084   6.619
  173    HG3  PRO  27           HG1      PRO  27   0.637  -4.685   6.498
  174    HD2  PRO  27           HD2      PRO  27  -0.959  -3.120   4.517
  175    HD3  PRO  27           HD1      PRO  27   0.762  -2.995   4.943
  176    H    ASP  28           HN       ASP  28  -1.983  -5.191   2.891
  177    HA   ASP  28           HA       ASP  28  -2.044  -7.366   1.028
  178    HB2  ASP  28           HB2      ASP  28  -4.529  -7.765   1.358
  179    HB3  ASP  28           HB1      ASP  28  -3.500  -8.354   2.651
  Start of MODEL    8
    1    H1   GLY   1           HN       GLY   1  -5.279  -4.539   1.611
    2    HA2  GLY   1           HA2      GLY   1  -4.531  -3.383  -0.837
    3    HA3  GLY   1           HA1      GLY   1  -5.665  -4.701  -1.130
    4    H    PHE   2           HN       PHE   2  -5.197  -1.645   0.496
    5    HA   PHE   2           HA       PHE   2  -7.781  -1.566   1.623
    6    HB2  PHE   2           HB2      PHE   2  -7.342   0.792   2.150
    7    HB3  PHE   2           HB1      PHE   2  -6.014  -0.242   2.634
    8    HD1  PHE   2           HD1      PHE   2  -7.098   2.448   0.418
    9    HD2  PHE   2           HD2      PHE   2  -3.840  -0.062   1.510
   10    HE1  PHE   2           HE1      PHE   2  -5.544   3.956  -0.743
   11    HE2  PHE   2           HE2      PHE   2  -2.287   1.439   0.349
   12    HZ   PHE   2           HZ       PHE   2  -3.136   3.454  -0.781
   13    H    CYS   3           HN       CYS   3  -9.485  -0.163   1.152
   14    HA   CYS   3           HA       CYS   3  -9.753   0.338  -1.717
   15    HB2  CYS   3           HB2      CYS   3 -11.910  -0.171   0.344
   16    HB3  CYS   3           HB1      CYS   3 -12.150   0.037  -1.388
   17    H    TRP   4           HN       TRP   4 -10.462   2.312  -2.371
   18    HA   TRP   4           HA       TRP   4 -10.311   4.410  -0.379
   19    HB2  TRP   4           HB2      TRP   4 -10.677   4.530  -3.377
   20    HB3  TRP   4           HB1      TRP   4 -10.587   5.949  -2.343
   21    HD1  TRP   4           HD1      TRP   4  -8.141   6.137  -0.942
   22    HE1  TRP   4           HE1      TRP   4  -5.789   5.688  -1.861
   23    HE3  TRP   4          3HE       TRP   4  -9.373   3.221  -4.937
   24    HZ2  TRP   4           HZ2      TRP   4  -4.600   4.295  -4.005
   25    HZ3  TRP   4           HZ3      TRP   4  -7.573   2.371  -6.386
   26    HH2  TRP   4          2HH       TRP   4  -5.234   2.897  -5.926
   27    H    HIS   5           HN       HIS   5 -12.551   4.219  -3.091
   28    HA   HIS   5           HA       HIS   5 -14.748   4.431  -1.163
   29    HB2  HIS   5           HB2      HIS   5 -14.620   5.659  -3.951
   30    HB3  HIS   5           HB1      HIS   5 -16.031   5.677  -2.906
   31    HD1  HIS   5           HD1      HIS   5 -14.270   8.224  -3.998
   32    HD2  HIS   5           HD2      HIS   5 -14.360   6.605  -0.173
   33    HE1  HIS   5           HE1      HIS   5 -13.590  10.074  -2.438
   34    H    HIS   6           HN       HIS   6 -14.379   3.695  -4.620
   35    HA   HIS   6           HA       HIS   6 -15.831   1.184  -4.095
   36    HB2  HIS   6           HB2      HIS   6 -15.595   2.708  -6.719
   37    HB3  HIS   6           HB1      HIS   6 -16.403   1.170  -6.514
   38    HD1  HIS   6           HD1      HIS   6 -18.897   1.354  -6.196
   39    HD2  HIS   6           HD2      HIS   6 -16.894   4.812  -5.050
   40    HE1  HIS   6           HE1      HIS   6 -20.672   3.021  -5.593
   41    H    SER   7           HN       SER   7 -12.985   2.660  -5.449
   42    HA   SER   7           HA       SER   7 -12.054   0.265  -6.681
   43    HB2  SER   7           HB2      SER   7 -10.804   2.976  -6.254
   44    HB3  SER   7           HB1      SER   7 -10.105   1.694  -7.251
   45    HG   SER   7           HG       SER   7 -11.906   1.773  -8.538
   46    H    CYS   8           HN       CYS   8 -10.597  -1.134  -5.915
   47    HA   CYS   8           HA       CYS   8  -9.459  -0.639  -3.260
   48    HB2  CYS   8           HB2      CYS   8 -10.326  -3.269  -4.472
   49    HB3  CYS   8           HB1      CYS   8  -9.514  -3.083  -2.922
   50    H    VAL   9           HN       VAL   9  -7.352  -0.855  -3.016
   51    HA   VAL   9           HA       VAL   9  -5.648  -0.931  -5.263
   52    HB   VAL   9           HB       VAL   9  -4.963  -1.300  -2.321
   53   HG11  VAL   9          HG11      VAL   9  -3.208  -0.461  -4.624
   54   HG12  VAL   9          HG12      VAL   9  -3.118  -1.985  -3.739
   55   HG13  VAL   9          3HG1      VAL   9  -2.734  -0.466  -2.927
   56   HG21  VAL   9          HG21      VAL   9  -6.159   0.773  -2.686
   57   HG22  VAL   9          HG22      VAL   9  -5.043   1.210  -3.979
   58   HG23  VAL   9          HG23      VAL   9  -4.467   1.093  -2.316
   59    HA   PRO  10           HA       PRO  10  -5.288  -5.380  -5.892
   60    HB2  PRO  10           HB2      PRO  10  -2.529  -4.572  -6.705
   61    HB3  PRO  10           HB1      PRO  10  -3.692  -5.588  -7.558
   62    HG2  PRO  10           HG2      PRO  10  -3.290  -3.111  -8.353
   63    HG3  PRO  10           HG1      PRO  10  -4.932  -3.778  -8.309
   64    HD2  PRO  10           HD2      PRO  10  -3.610  -1.875  -6.431
   65    HD3  PRO  10           HD1      PRO  10  -5.288  -1.915  -7.020
   66    H    SER  11           HN       SER  11  -4.092  -7.141  -5.066
   67    HA   SER  11           HA       SER  11  -3.437  -7.014  -2.398
   68    HB2  SER  11           HB2      SER  11  -2.606  -9.078  -4.438
   69    HB3  SER  11           HB1      SER  11  -2.736  -9.319  -2.695
   70    HG   SER  11           HG       SER  11  -4.682  -9.910  -3.183
   71    H    GLY  12           HN       GLY  12  -1.775  -6.081  -1.483
   72    HA2  GLY  12           HA2      GLY  12   0.635  -6.288  -1.008
   73    HA3  GLY  12           HA1      GLY  12   0.893  -6.233  -2.754
   74    H    THR  13           HN       THR  13  -0.016  -4.398   0.062
   75    HA   THR  13           HA       THR  13  -0.199  -1.970  -1.504
   76    HB   THR  13           HB       THR  13  -0.851  -1.037   0.809
   77    HG1  THR  13           HG1      THR  13  -0.072  -3.213   1.710
   78   HG21  THR  13          HG21      THR  13  -3.153  -1.889   0.527
   79   HG22  THR  13          HG22      THR  13  -2.531  -3.091  -0.611
   80   HG23  THR  13          HG23      THR  13  -2.437  -1.373  -1.000
   81    H    CYS  14           HN       CYS  14   1.371  -0.570  -1.616
   82    HA   CYS  14           HA       CYS  14   3.539  -0.649   0.371
   83    HB2  CYS  14           HB2      CYS  14   3.680   0.060  -2.562
   84    HB3  CYS  14           HB1      CYS  14   4.996   0.243  -1.407
   85    H    ALA  15           HN       ALA  15   3.607   1.146   1.569
   86    HA   ALA  15           HA       ALA  15   2.447   3.581   0.425
   87    HB1  ALA  15           HB1      ALA  15   1.659   2.991   2.696
   88    HB2  ALA  15           HB2      ALA  15   2.583   4.494   2.715
   89    HB3  ALA  15           HB3      ALA  15   3.331   2.996   3.262
   90    H    ASP  16           HN       ASP  16   3.758   5.475   0.386
   91    HA   ASP  16           HA       ASP  16   6.355   4.871  -0.524
   92    HB2  ASP  16           HB2      ASP  16   5.096   7.552   0.015
   93    HB3  ASP  16           HB1      ASP  16   6.690   7.344  -0.702
   94    H    PHE  17           HN       PHE  17   7.636   4.046   0.796
   95    HA   PHE  17           HA       PHE  17   8.403   5.460   3.205
   96    HB2  PHE  17           HB2      PHE  17   8.010   2.672   2.426
   97    HB3  PHE  17           HB1      PHE  17   9.437   2.874   3.378
   98    HD1  PHE  17           HD1      PHE  17   5.951   4.268   3.368
   99    HD2  PHE  17           HD2      PHE  17   9.082   2.532   5.604
  100    HE1  PHE  17           HE1      PHE  17   4.625   4.574   5.377
  101    HE2  PHE  17           HE2      PHE  17   7.759   2.820   7.682
  102    HZ   PHE  17           HZ       PHE  17   5.521   3.843   7.572
  103    HA   PRO  18           HA       PRO  18  12.433   6.604   1.789
  104    HB2  PRO  18           HB2      PRO  18  14.079   5.402   3.688
  105    HB3  PRO  18           HB1      PRO  18  13.284   6.969   3.872
  106    HG2  PRO  18           HG2      PRO  18  12.413   4.278   4.845
  107    HG3  PRO  18           HG1      PRO  18  12.359   5.843   5.680
  108    HD2  PRO  18           HD2      PRO  18  10.155   4.834   4.637
  109    HD3  PRO  18           HD1      PRO  18  10.515   6.564   4.440
  110    H    TRP  19           HN       TRP  19  14.413   5.846   0.864
  111    HA   TRP  19           HA       TRP  19  13.926   3.861  -0.870
  112    HB2  TRP  19           HB2      TRP  19  16.365   5.357  -0.216
  113    HB3  TRP  19           HB1      TRP  19  16.564   3.896  -1.187
  114    HD1  TRP  19           HD1      TRP  19  15.143   7.414  -1.360
  115    HE1  TRP  19           HE1      TRP  19  14.417   7.879  -3.788
  116    HE3  TRP  19          3HE       TRP  19  15.745   2.736  -3.289
  117    HZ2  TRP  19           HZ2      TRP  19  14.117   6.429  -6.172
  118    HZ3  TRP  19           HZ3      TRP  19  15.220   2.353  -5.643
  119    HH2  TRP  19          2HH       TRP  19  14.423   4.168  -7.066
  120    HA   PRO  20           HA       PRO  20  14.086   2.544  -2.164
  121    HB2  PRO  20           HB2      PRO  20  13.302   0.126  -2.891
  122    HB3  PRO  20           HB1      PRO  20  15.035   0.488  -2.843
  123    HG2  PRO  20           HG2      PRO  20  13.343  -0.916  -0.802
  124    HG3  PRO  20           HG1      PRO  20  14.915  -1.427  -1.460
  125    HD2  PRO  20           HD2      PRO  20  14.616  -0.137   0.937
  126    HD3  PRO  20           HD1      PRO  20  16.075   0.013  -0.063
  127    H    LEU  21           HN       LEU  21  12.772   1.279   0.616
  128    HA   LEU  21           HA       LEU  21  10.336   2.382   0.681
  129    HB2  LEU  21           HB2      LEU  21  10.195   0.278  -1.228
  130    HB3  LEU  21           HB1      LEU  21   9.940  -0.376   0.395
  131    HG   LEU  21           HG       LEU  21   7.908   0.139  -0.979
  132   HD11  LEU  21          HD11      LEU  21   7.708  -0.643   1.205
  133   HD12  LEU  21          HD12      LEU  21   6.718   0.827   1.176
  134   HD13  LEU  21          HD13      LEU  21   8.343   0.834   1.888
  135   HD21  LEU  21          HD21      LEU  21   8.435   2.406  -1.600
  136   HD22  LEU  21          HD22      LEU  21   8.549   2.861   0.097
  137   HD23  LEU  21          HD23      LEU  21   6.993   2.394  -0.575
  138    H    GLY  22           HN       GLY  22  11.151   2.475   2.655
  139    HA2  GLY  22           HA2      GLY  22  12.193   0.543   4.354
  140    HA3  GLY  22           HA1      GLY  22  11.254   1.902   4.929
  141    H    HIS  23           HN       HIS  23  10.675  -1.192   3.372
  142    HA   HIS  23           HA       HIS  23   9.412  -2.924   3.779
  143    HB2  HIS  23           HB2      HIS  23   9.899  -2.183   6.640
  144    HB3  HIS  23           HB1      HIS  23   9.147  -3.695   6.136
  145    HD1  HIS  23           HD1      HIS  23  12.304  -2.571   7.167
  146    HD2  HIS  23           HD2      HIS  23  10.984  -4.931   4.018
  147    HE1  HIS  23           HE1      HIS  23  14.316  -3.861   6.369
  148    H    GLN  24           HN       GLN  24   7.809  -0.205   3.779
  149    HA   GLN  24           HA       GLN  24   5.527  -1.121   5.237
  150    HB2  GLN  24           HB2      GLN  24   6.193   1.270   5.040
  151    HB3  GLN  24           HB1      GLN  24   5.670   1.223   3.370
  152    HG2  GLN  24           HG2      GLN  24   4.094   2.242   4.949
  153    HG3  GLN  24           HG1      GLN  24   3.394   0.948   3.995
  154   HE21  GLN  24          1HE2      GLN  24   5.493   0.602   6.832
  155   HE22  GLN  24          2HE2      GLN  24   4.316  -0.053   7.886
  156    H    CYS  25           HN       CYS  25   6.664  -2.125   2.390
  157    HA   CYS  25           HA       CYS  25   4.110  -2.536   1.093
  158    HB2  CYS  25           HB2      CYS  25   6.711  -4.035   0.663
  159    HB3  CYS  25           HB1      CYS  25   5.251  -4.282  -0.263
  160    H    PHE  26           HN       PHE  26   2.643  -3.506   2.232
  161    HA   PHE  26           HA       PHE  26   3.352  -6.077   3.448
  162    HB2  PHE  26           HB2      PHE  26   1.806  -5.656   5.318
  163    HB3  PHE  26           HB1      PHE  26   3.024  -4.398   5.231
  164    HD1  PHE  26           HD1      PHE  26  -0.456  -5.156   5.325
  165    HD2  PHE  26           HD2      PHE  26   2.346  -2.176   4.185
  166    HE1  PHE  26           HE1      PHE  26  -2.239  -3.468   5.355
  167    HE2  PHE  26           HE2      PHE  26   0.571  -0.487   4.209
  168    HZ   PHE  26           HZ       PHE  26  -1.724  -1.132   4.795
  169    HA   PRO  27           HA       PRO  27   0.091  -7.743   1.053
  170    HB2  PRO  27           HB2      PRO  27  -0.652  -9.771   2.928
  171    HB3  PRO  27           HB1      PRO  27   0.391  -9.931   1.516
  172    HG2  PRO  27           HG2      PRO  27   1.235 -10.143   4.144
  173    HG3  PRO  27           HG1      PRO  27   2.282  -9.785   2.768
  174    HD2  PRO  27           HD2      PRO  27   1.144  -7.953   4.815
  175    HD3  PRO  27           HD1      PRO  27   2.710  -7.890   3.981
  176    H    ASP  28           HN       ASP  28  -1.556  -6.338   0.940
  177    HA   ASP  28           HA       ASP  28  -4.001  -6.969   2.178
  178    HB2  ASP  28           HB2      ASP  28  -2.751  -5.583   4.002
  179    HB3  ASP  28           HB1      ASP  28  -2.890  -4.226   2.899
  Start of MODEL    9
    1    H1   GLY   1           HN       GLY   1  -3.995  -3.520   0.573
    2    HA2  GLY   1           HA2      GLY   1  -5.234  -3.688  -1.420
    3    HA3  GLY   1           HA1      GLY   1  -5.918  -5.199  -0.835
    4    H    PHE   2           HN       PHE   2  -5.788  -2.016   0.671
    5    HA   PHE   2           HA       PHE   2  -8.379  -2.112   1.612
    6    HB2  PHE   2           HB2      PHE   2  -8.111   0.306   2.135
    7    HB3  PHE   2           HB1      PHE   2  -6.802  -0.707   2.710
    8    HD1  PHE   2           HD1      PHE   2  -7.723   2.100   0.641
    9    HD2  PHE   2           HD2      PHE   2  -4.596  -0.630   1.556
   10    HE1  PHE   2           HE1      PHE   2  -6.084   3.627  -0.377
   11    HE2  PHE   2           HE2      PHE   2  -2.961   0.895   0.533
   12    HZ   PHE   2           HZ       PHE   2  -3.708   3.027  -0.428
   13    H    CYS   3           HN       CYS   3 -10.252  -1.116   1.072
   14    HA   CYS   3           HA       CYS   3 -10.431   0.067  -1.574
   15    HB2  CYS   3           HB2      CYS   3 -11.016  -2.323  -1.817
   16    HB3  CYS   3           HB1      CYS   3 -12.196  -2.167  -0.522
   17    H    TRP   4           HN       TRP   4 -12.356   1.374  -1.782
   18    HA   TRP   4           HA       TRP   4 -13.392   2.122   0.840
   19    HB2  TRP   4           HB2      TRP   4 -13.200   3.849  -1.639
   20    HB3  TRP   4           HB1      TRP   4 -13.821   4.361  -0.070
   21    HD1  TRP   4           HD1      TRP   4 -11.949   4.503   1.919
   22    HE1  TRP   4           HE1      TRP   4  -9.450   5.079   1.764
   23    HE3  TRP   4          3HE       TRP   4 -11.221   3.653  -3.057
   24    HZ2  TRP   4           HZ2      TRP   4  -7.447   5.174  -0.192
   25    HZ3  TRP   4           HZ3      TRP   4  -8.979   4.010  -3.998
   26    HH2  TRP   4          2HH       TRP   4  -7.129   4.752  -2.591
   27    H    HIS   5           HN       HIS   5 -14.668   3.028  -2.300
   28    HA   HIS   5           HA       HIS   5 -17.003   1.383  -1.702
   29    HB2  HIS   5           HB2      HIS   5 -17.002   4.231  -2.753
   30    HB3  HIS   5           HB1      HIS   5 -18.425   3.204  -2.709
   31    HD1  HIS   5           HD1      HIS   5 -19.677   3.054  -0.454
   32    HD2  HIS   5           HD2      HIS   5 -16.048   5.070  -0.200
   33    HE1  HIS   5           HE1      HIS   5 -19.607   4.089   1.838
   34    H    HIS   6           HN       HIS   6 -15.812   3.431  -4.288
   35    HA   HIS   6           HA       HIS   6 -16.688   1.516  -6.287
   36    HB2  HIS   6           HB2      HIS   6 -17.247   3.874  -6.584
   37    HB3  HIS   6           HB1      HIS   6 -15.554   4.317  -6.483
   38    HD1  HIS   6           HD1      HIS   6 -18.071   2.783  -8.833
   39    HD2  HIS   6           HD2      HIS   6 -14.119   4.057  -8.830
   40    HE1  HIS   6           HE1      HIS   6 -17.362   2.870 -11.251
   41    H    SER   7           HN       SER   7 -13.739   3.069  -5.154
   42    HA   SER   7           HA       SER   7 -12.195   1.454  -7.012
   43    HB2  SER   7           HB2      SER   7 -11.399   3.866  -5.378
   44    HB3  SER   7           HB1      SER   7 -10.397   3.050  -6.584
   45    HG   SER   7           HG       SER   7 -12.161   3.480  -8.069
   46    H    CYS   8           HN       CYS   8 -10.903  -0.129  -6.353
   47    HA   CYS   8           HA       CYS   8 -10.312  -0.386  -3.501
   48    HB2  CYS   8           HB2      CYS   8 -10.665  -2.610  -5.534
   49    HB3  CYS   8           HB1      CYS   8 -10.280  -2.823  -3.838
   50    H    VAL   9           HN       VAL   9  -8.146  -0.746  -3.040
   51    HA   VAL   9           HA       VAL   9  -6.310  -0.467  -5.270
   52    HB   VAL   9           HB       VAL   9  -5.825  -0.444  -2.256
   53   HG11  VAL   9          HG11      VAL   9  -3.965   0.372  -4.493
   54   HG12  VAL   9          HG12      VAL   9  -3.814  -1.084  -3.512
   55   HG13  VAL   9          3HG1      VAL   9  -3.634   0.505  -2.765
   56   HG21  VAL   9          HG21      VAL   9  -7.194   1.431  -2.951
   57   HG22  VAL   9          HG22      VAL   9  -6.028   1.837  -4.209
   58   HG23  VAL   9          HG23      VAL   9  -5.577   1.984  -2.510
   59    HA   PRO  10           HA       PRO  10  -5.736  -4.876  -5.383
   60    HB2  PRO  10           HB2      PRO  10  -3.139  -4.911  -6.318
   61    HB3  PRO  10           HB1      PRO  10  -4.570  -4.739  -7.335
   62    HG2  PRO  10           HG2      PRO  10  -2.739  -2.626  -6.279
   63    HG3  PRO  10           HG1      PRO  10  -3.477  -2.763  -7.884
   64    HD2  PRO  10           HD2      PRO  10  -4.437  -1.078  -6.061
   65    HD3  PRO  10           HD1      PRO  10  -5.530  -1.973  -7.136
   66    H    SER  11           HN       SER  11  -4.549  -6.584  -4.403
   67    HA   SER  11           HA       SER  11  -3.678  -6.009  -1.798
   68    HB2  SER  11           HB2      SER  11  -3.458  -8.539  -3.424
   69    HB3  SER  11           HB1      SER  11  -3.260  -8.412  -1.674
   70    HG   SER  11           HG       SER  11  -5.310  -8.248  -1.420
   71    H    GLY  12           HN       GLY  12  -1.794  -5.468  -1.145
   72    HA2  GLY  12           HA2      GLY  12   0.628  -5.845  -1.144
   73    HA3  GLY  12           HA1      GLY  12   0.528  -5.863  -2.911
   74    H    THR  13           HN       THR  13   0.239  -3.910  -0.073
   75    HA   THR  13           HA       THR  13   0.124  -1.549  -1.779
   76    HB   THR  13           HB       THR  13  -0.881  -0.427   0.257
   77    HG1  THR  13           HG1      THR  13  -0.128  -2.440   1.552
   78   HG21  THR  13          HG21      THR  13  -3.123  -1.384  -0.081
   79   HG22  THR  13          HG22      THR  13  -2.402  -2.773  -0.894
   80   HG23  THR  13          HG23      THR  13  -2.280  -1.169  -1.615
   81    H    CYS  14           HN       CYS  14   2.000  -0.540  -1.841
   82    HA   CYS  14           HA       CYS  14   3.533  -0.407   0.620
   83    HB2  CYS  14           HB2      CYS  14   4.456  -2.186  -0.887
   84    HB3  CYS  14           HB1      CYS  14   4.747  -0.929  -2.084
   85    H    ALA  15           HN       ALA  15   4.055   1.576   1.069
   86    HA   ALA  15           HA       ALA  15   3.711   3.705  -0.888
   87    HB1  ALA  15           HB1      ALA  15   2.764   4.033   1.343
   88    HB2  ALA  15           HB2      ALA  15   4.067   5.198   1.077
   89    HB3  ALA  15           HB3      ALA  15   4.349   3.766   2.060
   90    H    ASP  16           HN       ASP  16   5.452   5.264  -1.255
   91    HA   ASP  16           HA       ASP  16   7.924   3.848  -1.530
   92    HB2  ASP  16           HB2      ASP  16   8.715   5.809  -2.881
   93    HB3  ASP  16           HB1      ASP  16   7.264   5.044  -3.497
   94    H    PHE  17           HN       PHE  17   8.736   3.584   0.313
   95    HA   PHE  17           HA       PHE  17   9.381   5.734   2.112
   96    HB2  PHE  17           HB2      PHE  17   9.275   2.837   2.159
   97    HB3  PHE  17           HB1      PHE  17  10.507   3.434   3.208
   98    HD1  PHE  17           HD1      PHE  17   6.898   3.538   2.349
   99    HD2  PHE  17           HD2      PHE  17   9.848   4.586   5.250
  100    HE1  PHE  17           HE1      PHE  17   5.182   4.149   3.843
  101    HE2  PHE  17           HE2      PHE  17   8.066   5.188   6.816
  102    HZ   PHE  17           HZ       PHE  17   5.713   4.983   6.130
  103    HA   PRO  18           HA       PRO  18  13.698   6.671   1.299
  104    HB2  PRO  18           HB2      PRO  18  14.752   6.193   3.822
  105    HB3  PRO  18           HB1      PRO  18  13.933   7.687   3.347
  106    HG2  PRO  18           HG2      PRO  18  12.769   5.250   4.676
  107    HG3  PRO  18           HG1      PRO  18  12.594   6.960   5.162
  108    HD2  PRO  18           HD2      PRO  18  10.656   5.838   3.863
  109    HD3  PRO  18           HD1      PRO  18  11.240   7.407   3.264
  110    H    TRP  19           HN       TRP  19  15.806   5.714   1.218
  111    HA   TRP  19           HA       TRP  19  15.684   3.237   0.146
  112    HB2  TRP  19           HB2      TRP  19  17.963   4.988   0.822
  113    HB3  TRP  19           HB1      TRP  19  18.297   3.304   0.408
  114    HD1  TRP  19           HD1      TRP  19  16.913   6.525  -1.123
  115    HE1  TRP  19           HE1      TRP  19  16.809   6.212  -3.671
  116    HE3  TRP  19          3HE       TRP  19  18.152   1.569  -1.392
  117    HZ2  TRP  19           HZ2      TRP  19  17.179   4.131  -5.524
  118    HZ3  TRP  19           HZ3      TRP  19  18.244   0.500  -3.593
  119    HH2  TRP  19          2HH       TRP  19  17.776   1.757  -5.622
  120    HA   PRO  20           HA       PRO  20  16.357   1.585  -0.601
  121    HB2  PRO  20           HB2      PRO  20  15.531  -0.939  -0.712
  122    HB3  PRO  20           HB1      PRO  20  17.205  -0.602  -0.247
  123    HG2  PRO  20           HG2      PRO  20  14.838  -1.184   1.502
  124    HG3  PRO  20           HG1      PRO  20  16.460  -1.913   1.578
  125    HD2  PRO  20           HD2      PRO  20  15.624   0.140   3.175
  126    HD3  PRO  20           HD1      PRO  20  17.337  -0.067   2.714
  127    H    LEU  21           HN       LEU  21  14.227   1.294   1.844
  128    HA   LEU  21           HA       LEU  21  12.105   2.537   1.337
  129    HB2  LEU  21           HB2      LEU  21  11.803   0.810  -0.784
  130    HB3  LEU  21           HB1      LEU  21  11.347  -0.168   0.619
  131    HG   LEU  21           HG       LEU  21   9.892   2.363   0.421
  132   HD11  LEU  21          HD11      LEU  21   9.724   1.573  -1.857
  133   HD12  LEU  21          HD12      LEU  21   8.211   1.407  -0.947
  134   HD13  LEU  21          HD13      LEU  21   9.210  -0.024  -1.259
  135   HD21  LEU  21          HD21      LEU  21   9.626   0.818   2.278
  136   HD22  LEU  21          HD22      LEU  21   9.125  -0.451   1.164
  137   HD23  LEU  21          HD23      LEU  21   8.121   0.993   1.374
  138    H    GLY  22           HN       GLY  22  12.463   2.497   3.409
  139    HA2  GLY  22           HA2      GLY  22  12.417   0.441   5.272
  140    HA3  GLY  22           HA1      GLY  22  11.510   1.937   5.556
  141    H    HIS  23           HN       HIS  23  11.314  -1.355   5.074
  142    HA   HIS  23           HA       HIS  23   9.306  -1.725   3.313
  143    HB2  HIS  23           HB2      HIS  23  10.192  -3.551   5.498
  144    HB3  HIS  23           HB1      HIS  23   8.942  -3.992   4.338
  145    HD1  HIS  23           HD1      HIS  23  12.639  -3.571   4.634
  146    HD2  HIS  23           HD2      HIS  23   9.801  -4.194   1.668
  147    HE1  HIS  23           HE1      HIS  23  13.909  -4.281   2.602
  148    H    GLN  24           HN       GLN  24   7.795  -0.423   3.398
  149    HA   GLN  24           HA       GLN  24   5.716  -0.630   5.400
  150    HB2  GLN  24           HB2      GLN  24   6.294   1.551   4.566
  151    HB3  GLN  24           HB1      GLN  24   6.126   1.014   2.909
  152    HG2  GLN  24           HG2      GLN  24   4.315   2.451   3.673
  153    HG3  GLN  24           HG1      GLN  24   3.773   0.887   3.114
  154   HE21  GLN  24          1HE2      GLN  24   1.875   0.911   4.309
  155   HE22  GLN  24          2HE2      GLN  24   1.834   0.853   6.036
  156    H    CYS  25           HN       CYS  25   6.664  -2.083   2.516
  157    HA   CYS  25           HA       CYS  25   4.286  -2.496   1.143
  158    HB2  CYS  25           HB2      CYS  25   6.590  -4.440   1.216
  159    HB3  CYS  25           HB1      CYS  25   5.454  -4.168  -0.090
  160    H    PHE  26           HN       PHE  26   2.507  -3.522   1.976
  161    HA   PHE  26           HA       PHE  26   2.906  -6.190   2.925
  162    HB2  PHE  26           HB2      PHE  26   1.591  -6.005   4.946
  163    HB3  PHE  26           HB1      PHE  26   2.855  -4.796   5.015
  164    HD1  PHE  26           HD1      PHE  26  -0.491  -5.464   5.592
  165    HD2  PHE  26           HD2      PHE  26   2.053  -2.393   4.140
  166    HE1  PHE  26           HE1      PHE  26  -2.195  -3.800   6.159
  167    HE2  PHE  26           HE2      PHE  26   0.356  -0.716   4.698
  168    HZ   PHE  26           HZ       PHE  26  -1.778  -1.418   5.717
  169    HA   PRO  27           HA       PRO  27  -0.617  -6.655   0.340
  170    HB2  PRO  27           HB2      PRO  27  -1.375  -9.120   1.555
  171    HB3  PRO  27           HB1      PRO  27  -0.591  -8.855  -0.006
  172    HG2  PRO  27           HG2      PRO  27   0.668 -10.048   2.128
  173    HG3  PRO  27           HG1      PRO  27   1.526  -9.148   0.867
  174    HD2  PRO  27           HD2      PRO  27   0.713  -8.267   3.610
  175    HD3  PRO  27           HD1      PRO  27   2.221  -7.958   2.717
  176    H    ASP  28           HN       ASP  28  -1.743  -5.008   1.371
  177    HA   ASP  28           HA       ASP  28  -3.844  -5.897   3.196
  178    HB2  ASP  28           HB2      ASP  28  -2.628  -3.819   3.763
  179    HB3  ASP  28           HB1      ASP  28  -3.211  -3.087   2.274
  Start of MODEL   10
    1    H1   GLY   1           HN       GLY   1  -5.857  -4.088   2.363
    2    HA2  GLY   1           HA2      GLY   1  -6.309  -4.265  -0.462
    3    HA3  GLY   1           HA1      GLY   1  -7.249  -5.422   0.481
    4    H    PHE   2           HN       PHE   2  -6.243  -2.143   1.217
    5    HA   PHE   2           HA       PHE   2  -8.726  -1.428   2.304
    6    HB2  PHE   2           HB2      PHE   2  -7.820   0.894   2.399
    7    HB3  PHE   2           HB1      PHE   2  -6.773  -0.310   3.122
    8    HD1  PHE   2           HD1      PHE   2  -7.215   1.931   0.206
    9    HD2  PHE   2           HD2      PHE   2  -4.547  -0.670   2.286
   10    HE1  PHE   2           HE1      PHE   2  -5.336   2.792  -1.110
   11    HE2  PHE   2           HE2      PHE   2  -2.684   0.188   0.974
   12    HZ   PHE   2           HZ       PHE   2  -3.067   1.926  -0.734
   13    H    CYS   3           HN       CYS   3 -10.178   0.204   1.625
   14    HA   CYS   3           HA       CYS   3 -10.332   0.485  -1.289
   15    HB2  CYS   3           HB2      CYS   3 -12.671   0.162   0.605
   16    HB3  CYS   3           HB1      CYS   3 -12.728   0.212  -1.156
   17    H    TRP   4           HN       TRP   4 -10.893   2.497  -1.997
   18    HA   TRP   4           HA       TRP   4 -10.547   4.597  -0.062
   19    HB2  TRP   4           HB2      TRP   4 -11.030   4.704  -3.043
   20    HB3  TRP   4           HB1      TRP   4 -10.735   6.123  -2.041
   21    HD1  TRP   4           HD1      TRP   4  -8.260   6.537  -1.246
   22    HE1  TRP   4           HE1      TRP   4  -5.997   5.586  -2.013
   23    HE3  TRP   4          3HE       TRP   4  -9.924   2.530  -3.918
   24    HZ2  TRP   4           HZ2      TRP   4  -5.042   3.428  -3.543
   25    HZ3  TRP   4           HZ3      TRP   4  -8.278   1.073  -4.998
   26    HH2  TRP   4          2HH       TRP   4  -5.890   1.512  -4.818
   27    H    HIS   5           HN       HIS   5 -12.944   4.481  -2.636
   28    HA   HIS   5           HA       HIS   5 -14.989   5.090  -0.604
   29    HB2  HIS   5           HB2      HIS   5 -14.854   6.144  -3.443
   30    HB3  HIS   5           HB1      HIS   5 -16.218   6.363  -2.357
   31    HD1  HIS   5           HD1      HIS   5 -14.323   8.658  -3.641
   32    HD2  HIS   5           HD2      HIS   5 -14.296   7.232   0.253
   33    HE1  HIS   5           HE1      HIS   5 -13.340  10.494  -2.238
   34    H    HIS   6           HN       HIS   6 -14.309   3.598  -3.684
   35    HA   HIS   6           HA       HIS   6 -16.347   1.604  -3.130
   36    HB2  HIS   6           HB2      HIS   6 -17.340   1.770  -5.388
   37    HB3  HIS   6           HB1      HIS   6 -17.590   3.239  -4.456
   38    HD1  HIS   6           HD1      HIS   6 -16.360   2.011  -7.625
   39    HD2  HIS   6           HD2      HIS   6 -15.847   5.400  -5.316
   40    HE1  HIS   6           HE1      HIS   6 -15.346   3.754  -9.162
   41    H    SER   7           HN       SER   7 -13.601   2.648  -5.060
   42    HA   SER   7           HA       SER   7 -13.121   0.028  -6.097
   43    HB2  SER   7           HB2      SER   7 -11.358   2.484  -6.075
   44    HB3  SER   7           HB1      SER   7 -11.198   1.070  -7.118
   45    HG   SER   7           HG       SER   7 -13.426   1.646  -7.816
   46    H    CYS   8           HN       CYS   8 -11.494  -1.359  -5.389
   47    HA   CYS   8           HA       CYS   8 -10.261  -0.663  -2.840
   48    HB2  CYS   8           HB2      CYS   8 -11.105  -3.362  -3.894
   49    HB3  CYS   8           HB1      CYS   8 -10.258  -3.085  -2.374
   50    H    VAL   9           HN       VAL   9  -8.128  -1.173  -2.543
   51    HA   VAL   9           HA       VAL   9  -6.526  -1.154  -4.910
   52    HB   VAL   9           HB       VAL   9  -6.029   0.009  -2.674
   53   HG11  VAL   9          HG11      VAL   9  -6.451  -1.760  -1.144
   54   HG12  VAL   9          HG12      VAL   9  -4.783  -1.212  -0.978
   55   HG13  VAL   9          3HG1      VAL   9  -5.137  -2.717  -1.829
   56   HG21  VAL   9          HG21      VAL   9  -3.620  -0.235  -2.795
   57   HG22  VAL   9          HG22      VAL   9  -4.332  -0.074  -4.407
   58   HG23  VAL   9          HG23      VAL   9  -3.804  -1.659  -3.817
   59    HA   PRO  10           HA       PRO  10  -6.145  -5.606  -5.473
   60    HB2  PRO  10           HB2      PRO  10  -3.286  -5.029  -6.061
   61    HB3  PRO  10           HB1      PRO  10  -4.473  -5.905  -7.026
   62    HG2  PRO  10           HG2      PRO  10  -3.691  -3.416  -7.668
   63    HG3  PRO  10           HG1      PRO  10  -5.337  -3.985  -7.964
   64    HD2  PRO  10           HD2      PRO  10  -4.326  -2.111  -5.901
   65    HD3  PRO  10           HD1      PRO  10  -5.919  -2.202  -6.676
   66    H    SER  11           HN       SER  11  -5.317  -7.359  -4.294
   67    HA   SER  11           HA       SER  11  -4.522  -6.791  -1.646
   68    HB2  SER  11           HB2      SER  11  -4.441  -9.437  -3.124
   69    HB3  SER  11           HB1      SER  11  -4.421  -9.220  -1.372
   70    HG   SER  11           HG       SER  11  -6.472  -8.105  -2.913
   71    H    GLY  12           HN       GLY  12  -2.647  -6.204  -1.027
   72    HA2  GLY  12           HA2      GLY  12  -0.245  -6.567  -0.752
   73    HA3  GLY  12           HA1      GLY  12  -0.233  -7.239  -2.385
   74    H    THR  13           HN       THR  13  -0.179  -4.387  -0.486
   75    HA   THR  13           HA       THR  13  -0.366  -2.679  -2.837
   76    HB   THR  13           HB       THR  13  -0.337  -1.915   0.056
   77    HG1  THR  13           HG1      THR  13  -2.382  -2.980  -1.573
   78   HG21  THR  13          HG21      THR  13  -1.418  -0.559  -2.426
   79   HG22  THR  13          HG22      THR  13   0.033  -0.091  -1.536
   80   HG23  THR  13          HG23      THR  13  -1.558   0.072  -0.787
   81    H    CYS  14           HN       CYS  14   1.547  -2.292  -3.673
   82    HA   CYS  14           HA       CYS  14   3.862  -2.214  -1.950
   83    HB2  CYS  14           HB2      CYS  14   3.654  -2.249  -4.960
   84    HB3  CYS  14           HB1      CYS  14   5.164  -2.200  -4.063
   85    H    ALA  15           HN       ALA  15   5.014  -0.413  -1.542
   86    HA   ALA  15           HA       ALA  15   4.455   2.030  -2.954
   87    HB1  ALA  15           HB1      ALA  15   4.026   1.727   0.024
   88    HB2  ALA  15           HB2      ALA  15   2.757   2.013  -1.171
   89    HB3  ALA  15           HB3      ALA  15   3.982   3.247  -0.864
   90    H    ASP  16           HN       ASP  16   6.143   3.474  -2.710
   91    HA   ASP  16           HA       ASP  16   8.581   2.309  -1.611
   92    HB2  ASP  16           HB2      ASP  16   8.758   3.057  -3.932
   93    HB3  ASP  16           HB1      ASP  16   8.176   4.656  -3.488
   94    H    PHE  17           HN       PHE  17   8.999   2.830   0.357
   95    HA   PHE  17           HA       PHE  17   7.966   5.314   1.464
   96    HB2  PHE  17           HB2      PHE  17   9.112   2.845   2.779
   97    HB3  PHE  17           HB1      PHE  17   8.487   4.244   3.637
   98    HD1  PHE  17           HD1      PHE  17   6.071   4.815   3.335
   99    HD2  PHE  17           HD2      PHE  17   7.704   1.092   2.133
  100    HE1  PHE  17           HE1      PHE  17   3.846   3.860   3.363
  101    HE2  PHE  17           HE2      PHE  17   5.466   0.088   2.154
  102    HZ   PHE  17           HZ       PHE  17   3.510   1.467   2.770
  103    HA   PRO  18           HA       PRO  18  12.207   6.988   1.862
  104    HB2  PRO  18           HB2      PRO  18  11.492   7.615   4.655
  105    HB3  PRO  18           HB1      PRO  18  12.009   8.710   3.369
  106    HG2  PRO  18           HG2      PRO  18   9.492   8.739   4.221
  107    HG3  PRO  18           HG1      PRO  18   9.864   8.902   2.496
  108    HD2  PRO  18           HD2      PRO  18   8.876   6.488   3.985
  109    HD3  PRO  18           HD1      PRO  18   8.400   7.105   2.399
  110    H    TRP  19           HN       TRP  19  14.107   6.465   2.752
  111    HA   TRP  19           HA       TRP  19  14.445   3.896   3.798
  112    HB2  TRP  19           HB2      TRP  19  16.474   4.473   2.923
  113    HB3  TRP  19           HB1      TRP  19  16.070   6.176   2.980
  114    HD1  TRP  19           HD1      TRP  19  16.696   7.459   5.196
  115    HE1  TRP  19           HE1      TRP  19  18.631   7.067   6.917
  116    HE3  TRP  19          3HE       TRP  19  17.910   2.691   3.929
  117    HZ2  TRP  19           HZ2      TRP  19  20.412   4.985   7.577
  118    HZ3  TRP  19           HZ3      TRP  19  19.738   1.558   5.124
  119    HH2  TRP  19          2HH       TRP  19  20.965   2.683   6.910
  120    HA   PRO  20           HA       PRO  20  15.882   2.867   5.212
  121    HB2  PRO  20           HB2      PRO  20  15.679   1.269   7.481
  122    HB3  PRO  20           HB1      PRO  20  16.996   2.389   7.126
  123    HG2  PRO  20           HG2      PRO  20  15.069   2.610   9.214
  124    HG3  PRO  20           HG1      PRO  20  16.299   3.797   8.760
  125    HD2  PRO  20           HD2      PRO  20  13.415   3.687   8.063
  126    HD3  PRO  20           HD1      PRO  20  14.477   5.097   8.250
  127    H    LEU  21           HN       LEU  21  12.792   3.220   5.478
  128    HA   LEU  21           HA       LEU  21  11.840   0.537   5.528
  129    HB2  LEU  21           HB2      LEU  21  10.816   3.134   4.609
  130    HB3  LEU  21           HB1      LEU  21   9.798   1.683   4.513
  131    HG   LEU  21           HG       LEU  21  10.914   2.939   7.044
  132   HD11  LEU  21          HD11      LEU  21   8.125   2.947   5.903
  133   HD12  LEU  21          HD12      LEU  21   9.208   4.337   6.016
  134   HD13  LEU  21          HD13      LEU  21   8.593   3.574   7.483
  135   HD21  LEU  21          HD21      LEU  21  10.599   0.516   7.215
  136   HD22  LEU  21          HD22      LEU  21   8.937   0.699   6.655
  137   HD23  LEU  21          HD23      LEU  21   9.432   1.399   8.196
  138    H    GLY  22           HN       GLY  22  11.904   2.949   2.911
  139    HA2  GLY  22           HA2      GLY  22  12.509   2.706   0.710
  140    HA3  GLY  22           HA1      GLY  22  13.113   1.093   1.086
  141    H    HIS  23           HN       HIS  23  12.130   0.219  -0.767
  142    HA   HIS  23           HA       HIS  23   9.256   0.384  -0.935
  143    HB2  HIS  23           HB2      HIS  23  10.626   0.368  -3.018
  144    HB3  HIS  23           HB1      HIS  23  11.193  -1.245  -2.601
  145    HD1  HIS  23           HD1      HIS  23  10.009  -2.964  -4.002
  146    HD2  HIS  23           HD2      HIS  23   7.577   0.269  -3.056
  147    HE1  HIS  23           HE1      HIS  23   7.780  -3.434  -5.064
  148    H    GLN  24           HN       GLN  24   8.741  -0.488   0.999
  149    HA   GLN  24           HA       GLN  24   9.538  -3.140   1.746
  150    HB2  GLN  24           HB2      GLN  24   7.330  -1.402   2.863
  151    HB3  GLN  24           HB1      GLN  24   7.868  -2.902   3.580
  152    HG2  GLN  24           HG2      GLN  24   9.682  -0.525   3.216
  153    HG3  GLN  24           HG1      GLN  24   8.668  -0.730   4.631
  154   HE21  GLN  24          1HE2      GLN  24  10.387  -3.461   3.066
  155   HE22  GLN  24          2HE2      GLN  24  11.468  -3.671   4.367
  156    H    CYS  25           HN       CYS  25   6.473  -1.706   0.732
  157    HA   CYS  25           HA       CYS  25   4.571  -2.506  -0.157
  158    HB2  CYS  25           HB2      CYS  25   6.007  -3.542  -1.940
  159    HB3  CYS  25           HB1      CYS  25   6.169  -4.985  -0.949
  160    H    PHE  26           HN       PHE  26   2.777  -3.322   0.809
  161    HA   PHE  26           HA       PHE  26   3.269  -5.319   2.862
  162    HB2  PHE  26           HB2      PHE  26   1.844  -4.067   4.463
  163    HB3  PHE  26           HB1      PHE  26   3.267  -3.155   3.993
  164    HD1  PHE  26           HD1      PHE  26   2.975  -1.297   2.260
  165    HD2  PHE  26           HD2      PHE  26  -0.286  -3.196   4.216
  166    HE1  PHE  26           HE1      PHE  26   1.529   0.604   1.682
  167    HE2  PHE  26           HE2      PHE  26  -1.737  -1.320   3.643
  168    HZ   PHE  26           HZ       PHE  26  -0.837   0.600   2.369
  169    HA   PRO  27           HA       PRO  27  -0.390  -7.087   1.139
  170    HB2  PRO  27           HB2      PRO  27  -0.979  -8.729   3.353
  171    HB3  PRO  27           HB1      PRO  27   0.027  -9.153   1.969
  172    HG2  PRO  27           HG2      PRO  27   0.915  -8.833   4.613
  173    HG3  PRO  27           HG1      PRO  27   1.941  -8.896   3.172
  174    HD2  PRO  27           HD2      PRO  27   0.972  -6.528   4.710
  175    HD3  PRO  27           HD1      PRO  27   2.514  -6.776   3.863
  176    H    ASP  28           HN       ASP  28  -2.033  -5.600   1.042
  177    HA   ASP  28           HA       ASP  28  -3.946  -5.668   3.226
  178    HB2  ASP  28           HB2      ASP  28  -2.289  -3.631   3.410
  179    HB3  ASP  28           HB1      ASP  28  -3.227  -2.981   2.073
  Start of MODEL   11
    1    H1   GLY   1           HN       GLY   1  -4.411  -4.360   2.757
    2    HA2  GLY   1           HA2      GLY   1  -4.316  -4.595   0.075
    3    HA3  GLY   1           HA1      GLY   1  -5.903  -5.250   0.516
    4    H    PHE   2           HN       PHE   2  -4.439  -2.401  -0.351
    5    HA   PHE   2           HA       PHE   2  -5.982  -1.006   1.625
    6    HB2  PHE   2           HB2      PHE   2  -4.778   1.060   1.126
    7    HB3  PHE   2           HB1      PHE   2  -3.702  -0.241   1.573
    8    HD1  PHE   2           HD1      PHE   2  -4.405   2.342  -0.734
    9    HD2  PHE   2           HD2      PHE   2  -2.428  -1.429  -0.409
   10    HE1  PHE   2           HE1      PHE   2  -3.001   2.894  -2.668
   11    HE2  PHE   2           HE2      PHE   2  -1.049  -0.872  -2.326
   12    HZ   PHE   2           HZ       PHE   2  -1.317   1.283  -3.463
   13    H    CYS   3           HN       CYS   3  -7.704   0.030   1.367
   14    HA   CYS   3           HA       CYS   3  -8.614   0.783  -1.286
   15    HB2  CYS   3           HB2      CYS   3  -9.498  -1.496  -0.872
   16    HB3  CYS   3           HB1      CYS   3 -10.170  -0.953   0.659
   17    H    TRP   4           HN       TRP   4  -9.764   2.674  -1.190
   18    HA   TRP   4           HA       TRP   4  -9.832   3.927   1.418
   19    HB2  TRP   4           HB2      TRP   4 -10.443   5.086  -1.309
   20    HB3  TRP   4           HB1      TRP   4 -10.387   6.008   0.192
   21    HD1  TRP   4           HD1      TRP   4  -7.937   6.322   1.322
   22    HE1  TRP   4           HE1      TRP   4  -5.600   6.297   0.287
   23    HE3  TRP   4          3HE       TRP   4  -9.061   4.047  -3.085
   24    HZ2  TRP   4           HZ2      TRP   4  -4.379   5.413  -2.135
   25    HZ3  TRP   4           HZ3      TRP   4  -7.264   3.643  -4.706
   26    HH2  TRP   4          2HH       TRP   4  -4.973   4.310  -4.232
   27    H    HIS   5           HN       HIS   5 -12.256   4.427  -1.093
   28    HA   HIS   5           HA       HIS   5 -14.219   3.661   0.950
   29    HB2  HIS   5           HB2      HIS   5 -14.619   5.479  -1.452
   30    HB3  HIS   5           HB1      HIS   5 -15.853   5.057  -0.278
   31    HD1  HIS   5           HD1      HIS   5 -15.939   6.510   1.879
   32    HD2  HIS   5           HD2      HIS   5 -12.550   7.154  -0.446
   33    HE1  HIS   5           HE1      HIS   5 -14.825   8.531   2.826
   34    H    HIS   6           HN       HIS   6 -14.106   3.845  -2.570
   35    HA   HIS   6           HA       HIS   6 -15.023   1.061  -2.604
   36    HB2  HIS   6           HB2      HIS   6 -15.890   3.298  -4.436
   37    HB3  HIS   6           HB1      HIS   6 -16.175   1.600  -4.806
   38    HD1  HIS   6           HD1      HIS   6 -17.683   4.441  -3.074
   39    HD2  HIS   6           HD2      HIS   6 -17.840   0.300  -2.782
   40    HE1  HIS   6           HE1      HIS   6 -19.761   3.912  -1.757
   41    H    SER   7           HN       SER   7 -12.760   3.362  -3.756
   42    HA   SER   7           HA       SER   7 -11.769   1.726  -5.872
   43    HB2  SER   7           HB2      SER   7 -10.498   4.047  -4.448
   44    HB3  SER   7           HB1      SER   7 -10.026   3.399  -6.019
   45    HG   SER   7           HG       SER   7 -12.561   3.879  -6.215
   46    H    CYS   8           HN       CYS   8 -10.958  -0.105  -5.270
   47    HA   CYS   8           HA       CYS   8  -9.238  -0.252  -2.916
   48    HB2  CYS   8           HB2      CYS   8 -10.655  -2.486  -4.386
   49    HB3  CYS   8           HB1      CYS   8  -9.696  -2.660  -2.928
   50    H    VAL   9           HN       VAL   9  -7.167  -0.930  -3.176
   51    HA   VAL   9           HA       VAL   9  -6.334  -1.370  -5.923
   52    HB   VAL   9           HB       VAL   9  -4.620  -0.663  -3.510
   53   HG11  VAL   9          HG11      VAL   9  -4.071  -0.580  -6.465
   54   HG12  VAL   9          HG12      VAL   9  -3.361  -1.697  -5.292
   55   HG13  VAL   9          3HG1      VAL   9  -3.002   0.034  -5.212
   56   HG21  VAL   9          HG21      VAL   9  -6.209   1.136  -3.941
   57   HG22  VAL   9          HG22      VAL   9  -5.714   1.179  -5.634
   58   HG23  VAL   9          HG23      VAL   9  -4.570   1.626  -4.369
   59    HA   PRO  10           HA       PRO  10  -6.256  -5.669  -4.903
   60    HB2  PRO  10           HB2      PRO  10  -4.547  -6.496  -6.875
   61    HB3  PRO  10           HB1      PRO  10  -6.267  -6.158  -7.118
   62    HG2  PRO  10           HG2      PRO  10  -3.895  -4.411  -7.640
   63    HG3  PRO  10           HG1      PRO  10  -5.327  -4.675  -8.651
   64    HD2  PRO  10           HD2      PRO  10  -5.095  -2.487  -7.172
   65    HD3  PRO  10           HD1      PRO  10  -6.663  -3.308  -7.329
   66    H    SER  11           HN       SER  11  -4.893  -7.438  -4.382
   67    HA   SER  11           HA       SER  11  -2.731  -6.788  -2.685
   68    HB2  SER  11           HB2      SER  11  -4.346  -8.685  -2.335
   69    HB3  SER  11           HB1      SER  11  -3.625  -9.496  -3.721
   70    HG   SER  11           HG       SER  11  -2.123 -10.177  -2.462
   71    H    GLY  12           HN       GLY  12  -0.584  -6.984  -3.076
   72    HA2  GLY  12           HA2      GLY  12   1.263  -7.874  -4.382
   73    HA3  GLY  12           HA1      GLY  12   0.234  -7.736  -5.809
   74    H    THR  13           HN       THR  13  -0.635  -5.170  -4.263
   75    HA   THR  13           HA       THR  13   1.126  -3.408  -5.698
   76    HB   THR  13           HB       THR  13  -1.087  -2.757  -3.784
   77    HG1  THR  13           HG1      THR  13  -2.218  -3.708  -5.319
   78   HG21  THR  13          HG21      THR  13   0.443  -0.910  -4.288
   79   HG22  THR  13          HG22      THR  13  -1.157  -0.618  -4.927
   80   HG23  THR  13          HG23      THR  13   0.147  -1.117  -6.022
   81    H    CYS  14           HN       CYS  14   2.977  -2.837  -4.794
   82    HA   CYS  14           HA       CYS  14   3.052  -2.770  -1.914
   83    HB2  CYS  14           HB2      CYS  14   4.710  -4.265  -3.036
   84    HB3  CYS  14           HB1      CYS  14   5.401  -2.848  -3.815
   85    H    ALA  15           HN       ALA  15   3.207  -0.771  -0.943
   86    HA   ALA  15           HA       ALA  15   3.308   1.544  -2.594
   87    HB1  ALA  15           HB1      ALA  15   3.032   2.754  -0.472
   88    HB2  ALA  15           HB2      ALA  15   3.263   1.246   0.413
   89    HB3  ALA  15           HB3      ALA  15   1.852   1.453  -0.624
   90    H    ASP  16           HN       ASP  16   4.996   2.754  -2.991
   91    HA   ASP  16           HA       ASP  16   7.612   1.750  -2.242
   92    HB2  ASP  16           HB2      ASP  16   6.838   3.975  -4.150
   93    HB3  ASP  16           HB1      ASP  16   8.441   3.294  -3.950
   94    H    PHE  17           HN       PHE  17   8.245   2.504  -0.268
   95    HA   PHE  17           HA       PHE  17   7.908   5.375   0.238
   96    HB2  PHE  17           HB2      PHE  17   8.141   3.069   2.175
   97    HB3  PHE  17           HB1      PHE  17   8.250   4.749   2.666
   98    HD1  PHE  17           HD1      PHE  17   6.229   6.220   1.780
   99    HD2  PHE  17           HD2      PHE  17   6.142   2.025   2.407
  100    HE1  PHE  17           HE1      PHE  17   3.805   6.327   2.039
  101    HE2  PHE  17           HE2      PHE  17   3.699   2.109   2.668
  102    HZ   PHE  17           HZ       PHE  17   2.523   4.263   2.486
  103    HA   PRO  18           HA       PRO  18  12.389   5.741   0.351
  104    HB2  PRO  18           HB2      PRO  18  12.671   7.672   2.222
  105    HB3  PRO  18           HB1      PRO  18  12.092   8.036   0.594
  106    HG2  PRO  18           HG2      PRO  18  10.541   7.708   3.129
  107    HG3  PRO  18           HG1      PRO  18  10.331   8.904   1.836
  108    HD2  PRO  18           HD2      PRO  18   8.765   6.714   2.086
  109    HD3  PRO  18           HD1      PRO  18   9.127   7.431   0.513
  110    H    TRP  19           HN       TRP  19  14.113   5.271   1.619
  111    HA   TRP  19           HA       TRP  19  13.686   3.349   3.623
  112    HB2  TRP  19           HB2      TRP  19  15.764   2.874   2.833
  113    HB3  TRP  19           HB1      TRP  19  15.875   4.443   2.066
  114    HD1  TRP  19           HD1      TRP  19  16.967   6.382   3.507
  115    HE1  TRP  19           HE1      TRP  19  18.799   6.276   5.378
  116    HE3  TRP  19          3HE       TRP  19  16.635   1.444   4.676
  117    HZ2  TRP  19           HZ2      TRP  19  19.900   4.337   7.069
  118    HZ3  TRP  19           HZ3      TRP  19  18.108   0.524   6.416
  119    HH2  TRP  19          2HH       TRP  19  19.708   1.941   7.587
  120    HA   PRO  20           HA       PRO  20  14.878   2.661   5.463
  121    HB2  PRO  20           HB2      PRO  20  14.510   2.077   8.014
  122    HB3  PRO  20           HB1      PRO  20  15.851   3.122   7.518
  123    HG2  PRO  20           HG2      PRO  20  13.215   3.866   8.708
  124    HG3  PRO  20           HG1      PRO  20  14.824   4.531   9.042
  125    HD2  PRO  20           HD2      PRO  20  12.929   5.660   7.324
  126    HD3  PRO  20           HD1      PRO  20  14.662   6.036   7.329
  127    H    LEU  21           HN       LEU  21  11.968   3.946   5.375
  128    HA   LEU  21           HA       LEU  21  10.313   1.843   6.322
  129    HB2  LEU  21           HB2      LEU  21  10.055   3.956   4.300
  130    HB3  LEU  21           HB1      LEU  21   8.659   2.937   4.701
  131    HG   LEU  21           HG       LEU  21  10.096   4.947   6.473
  132   HD11  LEU  21          HD11      LEU  21   7.303   4.920   5.344
  133   HD12  LEU  21          HD12      LEU  21   8.627   5.966   4.830
  134   HD13  LEU  21          HD13      LEU  21   7.954   6.128   6.451
  135   HD21  LEU  21          HD21      LEU  21   8.382   4.438   8.156
  136   HD22  LEU  21          HD22      LEU  21   9.391   3.036   7.813
  137   HD23  LEU  21          HD23      LEU  21   7.766   3.142   7.131
  138    H    GLY  22           HN       GLY  22  11.183   2.869   3.049
  139    HA2  GLY  22           HA2      GLY  22  11.740   1.675   1.194
  140    HA3  GLY  22           HA1      GLY  22  11.971   0.267   2.224
  141    H    HIS  23           HN       HIS  23  10.880  -1.252   1.172
  142    HA   HIS  23           HA       HIS  23   8.283  -0.617   0.102
  143    HB2  HIS  23           HB2      HIS  23   9.895  -3.173   0.005
  144    HB3  HIS  23           HB1      HIS  23   8.297  -2.988  -0.707
  145    HD1  HIS  23           HD1      HIS  23  11.742  -2.815  -1.606
  146    HD2  HIS  23           HD2      HIS  23   8.328  -0.711  -2.652
  147    HE1  HIS  23           HE1      HIS  23  12.268  -1.681  -3.781
  148    H    GLN  24           HN       GLN  24   7.132  -0.209   1.877
  149    HA   GLN  24           HA       GLN  24   6.832  -2.178   3.964
  150    HB2  GLN  24           HB2      GLN  24   5.227   0.306   3.338
  151    HB3  GLN  24           HB1      GLN  24   4.932  -0.721   4.727
  152    HG2  GLN  24           HG2      GLN  24   7.504   0.749   4.180
  153    HG3  GLN  24           HG1      GLN  24   6.238   1.296   5.273
  154   HE21  GLN  24          1HE2      GLN  24   5.696  -1.426   6.258
  155   HE22  GLN  24          2HE2      GLN  24   7.019  -1.805   7.296
  156    H    CYS  25           HN       CYS  25   5.380  -1.391   0.976
  157    HA   CYS  25           HA       CYS  25   3.817  -2.306  -0.311
  158    HB2  CYS  25           HB2      CYS  25   4.134  -4.701   1.504
  159    HB3  CYS  25           HB1      CYS  25   3.296  -4.708  -0.045
  160    H    PHE  26           HN       PHE  26   1.513  -3.514  -0.174
  161    HA   PHE  26           HA       PHE  26  -0.161  -1.910   1.397
  162    HB2  PHE  26           HB2      PHE  26  -1.946  -3.432   0.636
  163    HB3  PHE  26           HB1      PHE  26  -0.867  -3.065  -0.707
  164    HD1  PHE  26           HD1      PHE  26   0.814  -4.777  -1.402
  165    HD2  PHE  26           HD2      PHE  26  -2.254  -5.633   1.377
  166    HE1  PHE  26           HE1      PHE  26   1.191  -7.124  -1.751
  167    HE2  PHE  26           HE2      PHE  26  -1.905  -8.013   1.048
  168    HZ   PHE  26           HZ       PHE  26  -0.173  -8.798  -0.531
  169    HA   PRO  27           HA       PRO  27   0.051  -4.357   5.162
  170    HB2  PRO  27           HB2      PRO  27  -2.728  -3.681   5.808
  171    HB3  PRO  27           HB1      PRO  27  -1.251  -3.150   6.613
  172    HG2  PRO  27           HG2      PRO  27  -2.794  -1.466   5.141
  173    HG3  PRO  27           HG1      PRO  27  -1.038  -1.276   5.296
  174    HD2  PRO  27           HD2      PRO  27  -2.627  -2.469   3.049
  175    HD3  PRO  27           HD1      PRO  27  -1.217  -1.385   2.992
  176    H    ASP  28           HN       ASP  28  -3.324  -4.488   4.169
  177    HA   ASP  28           HA       ASP  28  -3.058  -7.387   3.699
  178    HB2  ASP  28           HB2      ASP  28  -5.345  -5.854   4.949
  179    HB3  ASP  28           HB1      ASP  28  -5.501  -7.512   4.382
  Start of MODEL   12
    1    H1   GLY   1           HN       GLY   1  -4.071  -4.278   1.814
    2    HA2  GLY   1           HA2      GLY   1  -3.102  -3.218  -0.564
    3    HA3  GLY   1           HA1      GLY   1  -4.708  -3.894  -0.857
    4    H    PHE   2           HN       PHE   2  -5.530  -1.750  -1.187
    5    HA   PHE   2           HA       PHE   2  -6.473  -0.722   1.259
    6    HB2  PHE   2           HB2      PHE   2  -5.791   1.643   0.907
    7    HB3  PHE   2           HB1      PHE   2  -4.436   0.581   1.216
    8    HD1  PHE   2           HD1      PHE   2  -3.090  -0.195  -0.847
    9    HD2  PHE   2           HD2      PHE   2  -5.788   3.072  -0.867
   10    HE1  PHE   2           HE1      PHE   2  -1.929   0.735  -2.799
   11    HE2  PHE   2           HE2      PHE   2  -4.636   4.015  -2.838
   12    HZ   PHE   2           HZ       PHE   2  -2.704   2.842  -3.803
   13    H    CYS   3           HN       CYS   3  -8.456  -0.110   1.100
   14    HA   CYS   3           HA       CYS   3  -9.548   0.639  -1.496
   15    HB2  CYS   3           HB2      CYS   3 -10.702  -1.539   0.276
   16    HB3  CYS   3           HB1      CYS   3 -11.376  -0.974  -1.251
   17    H    TRP   4           HN       TRP   4 -11.191   2.134  -1.264
   18    HA   TRP   4           HA       TRP   4 -11.527   3.035   1.488
   19    HB2  TRP   4           HB2      TRP   4 -12.109   4.534  -1.070
   20    HB3  TRP   4           HB1      TRP   4 -12.136   5.204   0.560
   21    HD1  TRP   4           HD1      TRP   4  -9.710   5.519   1.759
   22    HE1  TRP   4           HE1      TRP   4  -7.375   5.864   0.730
   23    HE3  TRP   4          3HE       TRP   4 -10.666   3.922  -2.983
   24    HZ2  TRP   4           HZ2      TRP   4  -6.113   5.516  -1.759
   25    HZ3  TRP   4           HZ3      TRP   4  -8.846   3.956  -4.637
   26    HH2  TRP   4          2HH       TRP   4  -6.615   4.736  -4.036
   27    H    HIS   5           HN       HIS   5 -13.694   3.593  -1.262
   28    HA   HIS   5           HA       HIS   5 -15.734   2.211   0.310
   29    HB2  HIS   5           HB2      HIS   5 -16.085   4.743  -1.322
   30    HB3  HIS   5           HB1      HIS   5 -17.422   3.815  -0.655
   31    HD1  HIS   5           HD1      HIS   5 -18.080   4.388   1.746
   32    HD2  HIS   5           HD2      HIS   5 -14.375   5.918   0.665
   33    HE1  HIS   5           HE1      HIS   5 -17.344   5.838   3.658
   34    H    HIS   6           HN       HIS   6 -15.771   3.550  -2.983
   35    HA   HIS   6           HA       HIS   6 -16.645   0.908  -3.831
   36    HB2  HIS   6           HB2      HIS   6 -17.932   3.006  -4.496
   37    HB3  HIS   6           HB1      HIS   6 -16.562   3.420  -5.520
   38    HD1  HIS   6           HD1      HIS   6 -19.592   1.274  -5.397
   39    HD2  HIS   6           HD2      HIS   6 -16.191   1.677  -7.740
   40    HE1  HIS   6           HE1      HIS   6 -20.050  -0.005  -7.511
   41    H    SER   7           HN       SER   7 -14.050   3.229  -4.266
   42    HA   SER   7           HA       SER   7 -12.750   1.645  -6.252
   43    HB2  SER   7           HB2      SER   7 -11.794   4.043  -4.668
   44    HB3  SER   7           HB1      SER   7 -10.976   3.346  -6.069
   45    HG   SER   7           HG       SER   7 -12.514   4.077  -7.373
   46    H    CYS   8           HN       CYS   8 -11.407   0.029  -5.887
   47    HA   CYS   8           HA       CYS   8 -10.246  -0.339  -3.237
   48    HB2  CYS   8           HB2      CYS   8 -12.363  -1.603  -3.421
   49    HB3  CYS   8           HB1      CYS   8 -11.752  -2.403  -4.856
   50    H    VAL   9           HN       VAL   9  -8.113  -0.603  -3.465
   51    HA   VAL   9           HA       VAL   9  -6.987  -1.098  -6.065
   52    HB   VAL   9           HB       VAL   9  -5.713  -0.441  -3.382
   53   HG11  VAL   9          HG11      VAL   9  -3.661   0.045  -4.628
   54   HG12  VAL   9          HG12      VAL   9  -4.423  -0.516  -6.111
   55   HG13  VAL   9          3HG1      VAL   9  -4.111  -1.648  -4.800
   56   HG21  VAL   9          HG21      VAL   9  -6.234   1.266  -5.804
   57   HG22  VAL   9          HG22      VAL   9  -5.360   1.779  -4.358
   58   HG23  VAL   9          HG23      VAL   9  -7.072   1.362  -4.254
   59    HA   PRO  10           HA       PRO  10  -6.662  -5.483  -5.602
   60    HB2  PRO  10           HB2      PRO  10  -4.251  -5.782  -6.981
   61    HB3  PRO  10           HB1      PRO  10  -5.868  -5.811  -7.688
   62    HG2  PRO  10           HG2      PRO  10  -3.913  -3.569  -7.512
   63    HG3  PRO  10           HG1      PRO  10  -5.028  -3.982  -8.826
   64    HD2  PRO  10           HD2      PRO  10  -5.544  -1.958  -7.197
   65    HD3  PRO  10           HD1      PRO  10  -6.854  -3.029  -7.737
   66    H    SER  11           HN       SER  11  -5.668  -7.043  -4.439
   67    HA   SER  11           HA       SER  11  -4.040  -6.340  -2.276
   68    HB2  SER  11           HB2      SER  11  -4.639  -9.059  -3.458
   69    HB3  SER  11           HB1      SER  11  -4.049  -8.738  -1.828
   70    HG   SER  11           HG       SER  11  -5.938  -7.849  -1.276
   71    H    GLY  12           HN       GLY  12  -1.885  -6.431  -2.049
   72    HA2  GLY  12           HA2      GLY  12   0.279  -7.323  -2.572
   73    HA3  GLY  12           HA1      GLY  12  -0.294  -7.649  -4.202
   74    H    THR  13           HN       THR  13  -1.129  -4.640  -2.797
   75    HA   THR  13           HA       THR  13   0.602  -3.361  -4.697
   76    HB   THR  13           HB       THR  13  -1.495  -2.139  -2.929
   77    HG1  THR  13           HG1      THR  13  -2.543  -3.384  -4.518
   78   HG21  THR  13          HG21      THR  13   0.066  -1.010  -5.265
   79   HG22  THR  13          HG22      THR  13   0.178  -0.485  -3.583
   80   HG23  THR  13          HG23      THR  13  -1.302  -0.206  -4.506
   81    H    CYS  14           HN       CYS  14   2.499  -2.811  -4.104
   82    HA   CYS  14           HA       CYS  14   3.005  -2.337  -1.278
   83    HB2  CYS  14           HB2      CYS  14   4.296  -4.183  -2.271
   84    HB3  CYS  14           HB1      CYS  14   4.983  -3.059  -3.439
   85    H    ALA  15           HN       ALA  15   4.528  -0.619  -0.748
   86    HA   ALA  15           HA       ALA  15   4.367   1.569  -2.661
   87    HB1  ALA  15           HB1      ALA  15   3.840   1.665   0.302
   88    HB2  ALA  15           HB2      ALA  15   2.650   1.886  -0.984
   89    HB3  ALA  15           HB3      ALA  15   3.947   3.061  -0.763
   90    H    ASP  16           HN       ASP  16   6.082   2.843  -2.729
   91    HA   ASP  16           HA       ASP  16   8.570   1.932  -1.572
   92    HB2  ASP  16           HB2      ASP  16   8.666   2.513  -3.892
   93    HB3  ASP  16           HB1      ASP  16   7.844   4.040  -3.613
   94    H    PHE  17           HN       PHE  17   9.251   2.691   0.302
   95    HA   PHE  17           HA       PHE  17   8.517   5.413   1.058
   96    HB2  PHE  17           HB2      PHE  17   9.122   3.001   2.785
   97    HB3  PHE  17           HB1      PHE  17   8.940   4.634   3.408
   98    HD1  PHE  17           HD1      PHE  17   6.776   5.737   3.318
   99    HD2  PHE  17           HD2      PHE  17   7.259   1.685   2.198
  100    HE1  PHE  17           HE1      PHE  17   4.360   5.415   3.513
  101    HE2  PHE  17           HE2      PHE  17   4.833   1.330   2.388
  102    HZ   PHE  17           HZ       PHE  17   3.374   3.196   3.048
  103    HA   PRO  18           HA       PRO  18  12.898   6.543   1.032
  104    HB2  PRO  18           HB2      PRO  18  12.338   7.478   3.801
  105    HB3  PRO  18           HB1      PRO  18  13.104   8.338   2.462
  106    HG2  PRO  18           HG2      PRO  18  10.633   8.944   3.126
  107    HG3  PRO  18           HG1      PRO  18  11.065   8.779   1.415
  108    HD2  PRO  18           HD2      PRO  18   9.602   6.870   3.190
  109    HD3  PRO  18           HD1      PRO  18   9.304   7.293   1.490
  110    H    TRP  19           HN       TRP  19  14.703   5.769   1.672
  111    HA   TRP  19           HA       TRP  19  14.831   3.368   3.104
  112    HB2  TRP  19           HB2      TRP  19  16.649   3.429   1.742
  113    HB3  TRP  19           HB1      TRP  19  16.592   5.178   1.628
  114    HD1  TRP  19           HD1      TRP  19  18.001   6.521   3.316
  115    HE1  TRP  19           HE1      TRP  19  20.118   5.910   4.712
  116    HE3  TRP  19          3HE       TRP  19  17.748   1.475   2.897
  117    HZ2  TRP  19           HZ2      TRP  19  21.446   3.548   5.492
  118    HZ3  TRP  19           HZ3      TRP  19  19.470   0.091   3.978
  119    HH2  TRP  19          2HH       TRP  19  21.282   1.110   5.249
  120    HA   PRO  20           HA       PRO  20  16.153   2.264   4.414
  121    HB2  PRO  20           HB2      PRO  20  16.455   1.039   6.748
  122    HB3  PRO  20           HB1      PRO  20  17.659   2.193   6.163
  123    HG2  PRO  20           HG2      PRO  20  15.574   2.534   8.258
  124    HG3  PRO  20           HG1      PRO  20  17.206   3.219   8.166
  125    HD2  PRO  20           HD2      PRO  20  14.777   4.493   7.443
  126    HD3  PRO  20           HD1      PRO  20  16.419   5.086   7.134
  127    H    LEU  21           HN       LEU  21  13.323   3.378   5.107
  128    HA   LEU  21           HA       LEU  21  11.837   1.191   6.177
  129    HB2  LEU  21           HB2      LEU  21  11.213   3.492   4.440
  130    HB3  LEU  21           HB1      LEU  21   9.937   2.387   4.954
  131    HG   LEU  21           HG       LEU  21  11.632   4.117   6.779
  132   HD11  LEU  21          HD11      LEU  21  10.125   5.419   5.343
  133   HD12  LEU  21          HD12      LEU  21   9.606   5.440   7.027
  134   HD13  LEU  21          HD13      LEU  21   8.770   4.412   5.861
  135   HD21  LEU  21          HD21      LEU  21  10.818   2.067   7.836
  136   HD22  LEU  21          HD22      LEU  21   9.187   2.443   7.278
  137   HD23  LEU  21          HD23      LEU  21   9.974   3.486   8.463
  138    H    GLY  22           HN       GLY  22  12.389   2.445   2.928
  139    HA2  GLY  22           HA2      GLY  22  12.476   1.416   0.884
  140    HA3  GLY  22           HA1      GLY  22  12.671  -0.103   1.746
  141    H    HIS  23           HN       HIS  23  11.279  -1.366   0.680
  142    HA   HIS  23           HA       HIS  23   8.605  -0.430   0.178
  143    HB2  HIS  23           HB2      HIS  23   9.956  -3.055  -0.476
  144    HB3  HIS  23           HB1      HIS  23   8.256  -2.741  -0.797
  145    HD1  HIS  23           HD1      HIS  23  11.407  -2.669  -2.472
  146    HD2  HIS  23           HD2      HIS  23   8.019  -0.268  -2.501
  147    HE1  HIS  23           HE1      HIS  23  11.485  -1.383  -4.625
  148    H    GLN  24           HN       GLN  24   7.943  -0.095   2.240
  149    HA   GLN  24           HA       GLN  24   7.733  -2.192   4.168
  150    HB2  GLN  24           HB2      GLN  24   6.361   0.479   3.947
  151    HB3  GLN  24           HB1      GLN  24   6.017  -0.645   5.248
  152    HG2  GLN  24           HG2      GLN  24   8.746   0.470   4.650
  153    HG3  GLN  24           HG1      GLN  24   7.633   1.142   5.844
  154   HE21  GLN  24          1HE2      GLN  24   9.840  -1.434   5.121
  155   HE22  GLN  24          2HE2      GLN  24   9.769  -2.168   6.684
  156    H    CYS  25           HN       CYS  25   5.768  -1.012   1.602
  157    HA   CYS  25           HA       CYS  25   4.000  -1.821   0.462
  158    HB2  CYS  25           HB2      CYS  25   4.438  -4.332   2.059
  159    HB3  CYS  25           HB1      CYS  25   3.471  -4.209   0.588
  160    H    PHE  26           HN       PHE  26   1.682  -2.687   0.680
  161    HA   PHE  26           HA       PHE  26   0.579  -1.727   3.160
  162    HB2  PHE  26           HB2      PHE  26  -0.611  -2.549   0.496
  163    HB3  PHE  26           HB1      PHE  26  -1.614  -2.220   1.904
  164    HD1  PHE  26           HD1      PHE  26  -1.920  -0.012   2.708
  165    HD2  PHE  26           HD2      PHE  26   0.615  -0.743  -0.614
  166    HE1  PHE  26           HE1      PHE  26  -1.904   2.399   2.194
  167    HE2  PHE  26           HE2      PHE  26   0.637   1.660  -1.142
  168    HZ   PHE  26           HZ       PHE  26  -0.619   3.235   0.264
  169    HA   PRO  27           HA       PRO  27   0.063  -5.721   4.997
  170    HB2  PRO  27           HB2      PRO  27  -2.853  -5.166   5.218
  171    HB3  PRO  27           HB1      PRO  27  -1.709  -5.617   6.489
  172    HG2  PRO  27           HG2      PRO  27  -2.596  -3.127   6.323
  173    HG3  PRO  27           HG1      PRO  27  -0.895  -3.457   6.690
  174    HD2  PRO  27           HD2      PRO  27  -2.131  -2.565   4.125
  175    HD3  PRO  27           HD1      PRO  27  -0.601  -2.066   4.880
  176    H    ASP  28           HN       ASP  28  -2.859  -4.985   3.164
  177    HA   ASP  28           HA       ASP  28  -2.345  -7.338   1.490
  178    HB2  ASP  28           HB2      ASP  28  -4.209  -7.903   3.002
  179    HB3  ASP  28           HB1      ASP  28  -5.081  -6.469   2.464
  Start of MODEL   13
    1    H1   GLY   1           HN       GLY   1  -5.361  -5.769   1.698
    2    HA2  GLY   1           HA2      GLY   1  -3.781  -4.141  -0.133
    3    HA3  GLY   1           HA1      GLY   1  -5.226  -4.962  -0.722
    4    H    PHE   2           HN       PHE   2  -4.257  -2.084   0.107
    5    HA   PHE   2           HA       PHE   2  -6.359  -1.394   1.933
    6    HB2  PHE   2           HB2      PHE   2  -5.384   0.955   1.696
    7    HB3  PHE   2           HB1      PHE   2  -4.372  -0.265   2.448
    8    HD1  PHE   2           HD1      PHE   2  -2.266  -0.810   1.546
    9    HD2  PHE   2           HD2      PHE   2  -4.919   1.645  -0.687
   10    HE1  PHE   2           HE1      PHE   2  -0.452  -0.264  -0.017
   11    HE2  PHE   2           HE2      PHE   2  -3.101   2.196  -2.239
   12    HZ   PHE   2           HZ       PHE   2  -0.862   1.244  -1.898
   13    H    CYS   3           HN       CYS   3  -8.222  -0.497   1.512
   14    HA   CYS   3           HA       CYS   3  -8.651   0.576  -1.154
   15    HB2  CYS   3           HB2      CYS   3 -10.580  -1.179   0.391
   16    HB3  CYS   3           HB1      CYS   3 -10.894  -0.435  -1.175
   17    H    TRP   4           HN       TRP   4  -9.499   2.482  -1.182
   18    HA   TRP   4           HA       TRP   4 -10.571   3.656   1.294
   19    HB2  TRP   4           HB2      TRP   4  -9.494   5.126  -1.131
   20    HB3  TRP   4           HB1      TRP   4  -9.843   5.774   0.464
   21    HD1  TRP   4           HD1      TRP   4  -8.162   4.358   2.450
   22    HE1  TRP   4           HE1      TRP   4  -5.588   4.193   2.267
   23    HE3  TRP   4          3HE       TRP   4  -7.662   5.230  -2.520
   24    HZ2  TRP   4           HZ2      TRP   4  -3.625   4.404   0.269
   25    HZ3  TRP   4           HZ3      TRP   4  -5.395   5.241  -3.517
   26    HH2  TRP   4          2HH       TRP   4  -3.424   4.839  -2.141
   27    H    HIS   5           HN       HIS   5 -11.604   5.887  -0.360
   28    HA   HIS   5           HA       HIS   5 -13.999   4.526  -1.286
   29    HB2  HIS   5           HB2      HIS   5 -13.411   7.479  -0.893
   30    HB3  HIS   5           HB1      HIS   5 -14.944   6.843  -1.466
   31    HD1  HIS   5           HD1      HIS   5 -16.635   6.229   0.334
   32    HD2  HIS   5           HD2      HIS   5 -12.782   6.660   1.833
   33    HE1  HIS   5           HE1      HIS   5 -16.834   6.102   2.839
   34    H    HIS   6           HN       HIS   6 -14.315   4.078  -3.356
   35    HA   HIS   6           HA       HIS   6 -14.180   4.014  -5.602
   36    HB2  HIS   6           HB2      HIS   6 -13.281   6.891  -5.325
   37    HB3  HIS   6           HB1      HIS   6 -13.687   6.121  -6.851
   38    HD1  HIS   6           HD1      HIS   6 -16.186   5.936  -7.422
   39    HD2  HIS   6           HD2      HIS   6 -15.452   7.426  -3.627
   40    HE1  HIS   6           HE1      HIS   6 -18.383   6.835  -6.594
   41    H    SER   7           HN       SER   7 -11.857   3.345  -3.940
   42    HA   SER   7           HA       SER   7  -9.964   2.910  -6.049
   43    HB2  SER   7           HB2      SER   7  -9.168   4.526  -3.642
   44    HB3  SER   7           HB1      SER   7  -8.051   3.944  -4.872
   45    HG   SER   7           HG       SER   7 -10.032   5.250  -6.051
   46    H    CYS   8           HN       CYS   8  -9.684   0.812  -5.687
   47    HA   CYS   8           HA       CYS   8  -9.182  -0.093  -2.949
   48    HB2  CYS   8           HB2      CYS   8 -11.523  -0.581  -3.580
   49    HB3  CYS   8           HB1      CYS   8 -10.947  -1.491  -4.963
   50    H    VAL   9           HN       VAL   9  -7.199  -0.898  -2.905
   51    HA   VAL   9           HA       VAL   9  -6.062  -1.931  -5.364
   52    HB   VAL   9           HB       VAL   9  -4.732  -1.249  -2.718
   53   HG11  VAL   9          HG11      VAL   9  -3.510  -1.769  -5.422
   54   HG12  VAL   9          HG12      VAL   9  -3.507  -2.879  -4.050
   55   HG13  VAL   9          3HG1      VAL   9  -2.653  -1.335  -3.936
   56   HG21  VAL   9          HG21      VAL   9  -5.679   0.741  -3.756
   57   HG22  VAL   9          HG22      VAL   9  -4.855   0.357  -5.269
   58   HG23  VAL   9          HG23      VAL   9  -3.918   0.770  -3.834
   59    HA   PRO  10           HA       PRO  10  -6.826  -6.142  -3.932
   60    HB2  PRO  10           HB2      PRO  10  -4.450  -6.750  -5.563
   61    HB3  PRO  10           HB1      PRO  10  -6.067  -7.453  -5.646
   62    HG2  PRO  10           HG2      PRO  10  -5.231  -5.730  -7.514
   63    HG3  PRO  10           HG1      PRO  10  -6.907  -5.728  -6.944
   64    HD2  PRO  10           HD2      PRO  10  -4.691  -3.832  -6.314
   65    HD3  PRO  10           HD1      PRO  10  -6.432  -3.538  -6.506
   66    H    SER  11           HN       SER  11  -5.737  -7.870  -2.854
   67    HA   SER  11           HA       SER  11  -3.993  -7.058  -0.826
   68    HB2  SER  11           HB2      SER  11  -5.665  -8.904  -0.630
   69    HB3  SER  11           HB1      SER  11  -4.689  -9.871  -1.729
   70    HG   SER  11           HG       SER  11  -4.140 -10.483   0.260
   71    H    GLY  12           HN       GLY  12  -1.875  -7.124  -0.671
   72    HA2  GLY  12           HA2      GLY  12   0.324  -7.912  -1.144
   73    HA3  GLY  12           HA1      GLY  12  -0.276  -8.558  -2.674
   74    H    THR  13           HN       THR  13  -0.486  -5.439  -1.121
   75    HA   THR  13           HA       THR  13   0.331  -4.217  -3.624
   76    HB   THR  13           HB       THR  13  -1.821  -3.437  -2.964
   77    HG1  THR  13           HG1      THR  13  -0.437  -1.816  -3.701
   78   HG21  THR  13          HG21      THR  13  -1.724  -4.143  -0.688
   79   HG22  THR  13          HG22      THR  13  -2.233  -2.436  -0.769
   80   HG23  THR  13          HG23      THR  13  -0.565  -2.870  -0.322
   81    H    CYS  14           HN       CYS  14   2.044  -2.793  -3.676
   82    HA   CYS  14           HA       CYS  14   3.488  -2.508  -1.159
   83    HB2  CYS  14           HB2      CYS  14   4.622  -2.636  -3.958
   84    HB3  CYS  14           HB1      CYS  14   5.547  -2.384  -2.478
   85    H    ALA  15           HN       ALA  15   2.912  -0.621  -0.403
   86    HA   ALA  15           HA       ALA  15   2.751   1.674  -2.126
   87    HB1  ALA  15           HB1      ALA  15   2.624   1.488   0.881
   88    HB2  ALA  15           HB2      ALA  15   1.223   1.430  -0.194
   89    HB3  ALA  15           HB3      ALA  15   2.199   2.897  -0.090
   90    H    ASP  16           HN       ASP  16   4.235   3.271  -2.234
   91    HA   ASP  16           HA       ASP  16   6.865   2.551  -1.217
   92    HB2  ASP  16           HB2      ASP  16   7.800   3.990  -2.916
   93    HB3  ASP  16           HB1      ASP  16   6.617   2.937  -3.672
   94    H    PHE  17           HN       PHE  17   7.908   3.717   0.156
   95    HA   PHE  17           HA       PHE  17   6.862   6.309   1.035
   96    HB2  PHE  17           HB2      PHE  17   7.798   4.001   2.760
   97    HB3  PHE  17           HB1      PHE  17   7.400   5.600   3.361
   98    HD1  PHE  17           HD1      PHE  17   5.020   6.417   2.954
   99    HD2  PHE  17           HD2      PHE  17   6.191   2.349   2.635
  100    HE1  PHE  17           HE1      PHE  17   2.705   5.744   3.263
  101    HE2  PHE  17           HE2      PHE  17   3.865   1.646   2.943
  102    HZ   PHE  17           HZ       PHE  17   2.106   3.332   3.256
  103    HA   PRO  18           HA       PRO  18  11.193   7.602   0.993
  104    HB2  PRO  18           HB2      PRO  18  10.900   8.363   3.863
  105    HB3  PRO  18           HB1      PRO  18  11.454   9.344   2.503
  106    HG2  PRO  18           HG2      PRO  18   9.035   9.730   3.526
  107    HG3  PRO  18           HG1      PRO  18   9.292   9.790   1.772
  108    HD2  PRO  18           HD2      PRO  18   8.099   7.605   3.434
  109    HD3  PRO  18           HD1      PRO  18   7.612   8.193   1.839
  110    H    TRP  19           HN       TRP  19  13.258   6.976   1.895
  111    HA   TRP  19           HA       TRP  19  13.168   4.332   2.875
  112    HB2  TRP  19           HB2      TRP  19  15.295   6.095   1.844
  113    HB3  TRP  19           HB1      TRP  19  15.815   4.802   2.933
  114    HD1  TRP  19           HD1      TRP  19  13.652   5.180  -0.269
  115    HE1  TRP  19           HE1      TRP  19  13.877   2.999  -1.610
  116    HE3  TRP  19          3HE       TRP  19  16.650   2.543   2.925
  117    HZ2  TRP  19           HZ2      TRP  19  15.124   0.530  -1.345
  118    HZ3  TRP  19           HZ3      TRP  19  17.309   0.275   2.298
  119    HH2  TRP  19          2HH       TRP  19  16.564  -0.714   0.200
  120    HA   PRO  20           HA       PRO  20  14.818   2.982   3.648
  121    HB2  PRO  20           HB2      PRO  20  15.252   1.216   5.538
  122    HB3  PRO  20           HB1      PRO  20  16.344   2.601   5.374
  123    HG2  PRO  20           HG2      PRO  20  14.159   2.143   7.359
  124    HG3  PRO  20           HG1      PRO  20  15.751   2.877   7.599
  125    HD2  PRO  20           HD2      PRO  20  13.334   4.261   7.188
  126    HD3  PRO  20           HD1      PRO  20  14.962   4.954   7.065
  127    H    LEU  21           HN       LEU  21  11.998   3.720   4.579
  128    HA   LEU  21           HA       LEU  21  10.682   1.228   4.892
  129    HB2  LEU  21           HB2      LEU  21   9.821   3.893   3.924
  130    HB3  LEU  21           HB1      LEU  21   8.666   2.586   4.219
  131    HG   LEU  21           HG       LEU  21  10.400   3.984   6.279
  132   HD11  LEU  21          HD11      LEU  21   8.286   4.874   7.127
  133   HD12  LEU  21          HD12      LEU  21   7.430   4.111   5.784
  134   HD13  LEU  21          HD13      LEU  21   8.596   5.397   5.471
  135   HD21  LEU  21          HD21      LEU  21  10.025   1.657   6.883
  136   HD22  LEU  21          HD22      LEU  21   8.294   1.852   6.608
  137   HD23  LEU  21          HD23      LEU  21   9.083   2.730   7.918
  138    H    GLY  22           HN       GLY  22  10.691   3.510   2.139
  139    HA2  GLY  22           HA2      GLY  22  10.630   3.147  -0.122
  140    HA3  GLY  22           HA1      GLY  22  11.396   1.590   0.197
  141    H    HIS  23           HN       HIS  23  10.155   0.399  -1.194
  142    HA   HIS  23           HA       HIS  23   7.309   0.443  -0.829
  143    HB2  HIS  23           HB2      HIS  23   7.222  -1.380  -2.548
  144    HB3  HIS  23           HB1      HIS  23   8.031   0.067  -3.108
  145    HD1  HIS  23           HD1      HIS  23  10.528  -0.200  -3.800
  146    HD2  HIS  23           HD2      HIS  23   8.782  -3.596  -2.229
  147    HE1  HIS  23           HE1      HIS  23  12.121  -2.079  -4.316
  148    H    GLN  24           HN       GLN  24   6.870   0.009   1.097
  149    HA   GLN  24           HA       GLN  24   7.975  -1.937   2.763
  150    HB2  GLN  24           HB2      GLN  24   5.359  -0.496   2.862
  151    HB3  GLN  24           HB1      GLN  24   5.760  -1.721   4.055
  152    HG2  GLN  24           HG2      GLN  24   7.440   0.701   3.477
  153    HG3  GLN  24           HG1      GLN  24   6.252   0.594   4.779
  154   HE21  GLN  24          1HE2      GLN  24   6.668  -0.778   6.516
  155   HE22  GLN  24          2HE2      GLN  24   8.240  -1.356   6.875
  156    H    CYS  25           HN       CYS  25   5.199  -2.193   0.678
  157    HA   CYS  25           HA       CYS  25   3.904  -3.912  -0.007
  158    HB2  CYS  25           HB2      CYS  25   6.218  -5.619   0.922
  159    HB3  CYS  25           HB1      CYS  25   4.859  -6.216  -0.036
  160    H    PHE  26           HN       PHE  26   2.116  -4.473   0.765
  161    HA   PHE  26           HA       PHE  26   1.961  -5.005   3.620
  162    HB2  PHE  26           HB2      PHE  26  -0.074  -3.939   1.677
  163    HB3  PHE  26           HB1      PHE  26  -0.448  -4.381   3.339
  164    HD1  PHE  26           HD1      PHE  26   1.035  -3.318   5.127
  165    HD2  PHE  26           HD2      PHE  26   0.568  -1.783   1.212
  166    HE1  PHE  26           HE1      PHE  26   1.748  -1.064   5.924
  167    HE2  PHE  26           HE2      PHE  26   1.270   0.445   1.975
  168    HZ   PHE  26           HZ       PHE  26   1.864   0.803   4.335
  169    HA   PRO  27           HA       PRO  27   0.609  -9.113   2.835
  170    HB2  PRO  27           HB2      PRO  27  -0.609  -9.652   5.159
  171    HB3  PRO  27           HB1      PRO  27   1.141  -9.333   5.077
  172    HG2  PRO  27           HG2      PRO  27  -1.068  -7.454   5.811
  173    HG3  PRO  27           HG1      PRO  27   0.433  -7.801   6.693
  174    HD2  PRO  27           HD2      PRO  27   0.208  -5.671   5.061
  175    HD3  PRO  27           HD1      PRO  27   1.728  -6.572   5.230
  176    H    ASP  28           HN       ASP  28  -1.434  -6.517   2.952
  177    HA   ASP  28           HA       ASP  28  -3.725  -8.112   2.073
  178    HB2  ASP  28           HB2      ASP  28  -3.848  -7.316   4.560
  179    HB3  ASP  28           HB1      ASP  28  -4.069  -5.708   3.879
  Start of MODEL   14
    1    H1   GLY   1           HN       GLY   1  -6.035  -5.729   1.587
    2    HA2  GLY   1           HA2      GLY   1  -5.280  -4.097  -0.674
    3    HA3  GLY   1           HA1      GLY   1  -6.864  -4.796  -0.349
    4    H    PHE   2           HN       PHE   2  -5.632  -1.998  -0.803
    5    HA   PHE   2           HA       PHE   2  -6.831  -0.761   1.542
    6    HB2  PHE   2           HB2      PHE   2  -5.688   1.342   0.885
    7    HB3  PHE   2           HB1      PHE   2  -4.577   0.022   1.183
    8    HD1  PHE   2           HD1      PHE   2  -5.883   2.379  -1.286
    9    HD2  PHE   2           HD2      PHE   2  -3.331  -0.996  -0.716
   10    HE1  PHE   2           HE1      PHE   2  -4.774   2.851  -3.403
   11    HE2  PHE   2           HE2      PHE   2  -2.240  -0.518  -2.836
   12    HZ   PHE   2           HZ       PHE   2  -2.947   1.406  -4.191
   13    H    CYS   3           HN       CYS   3  -8.582   0.438   1.464
   14    HA   CYS   3           HA       CYS   3  -9.927   0.662  -1.142
   15    HB2  CYS   3           HB2      CYS   3 -11.102   0.678   1.645
   16    HB3  CYS   3           HB1      CYS   3 -12.006   0.713   0.136
   17    H    TRP   4           HN       TRP   4 -10.126   2.661  -1.945
   18    HA   TRP   4           HA       TRP   4  -9.375   4.904  -0.310
   19    HB2  TRP   4           HB2      TRP   4 -10.568   4.835  -3.093
   20    HB3  TRP   4           HB1      TRP   4 -10.010   6.292  -2.287
   21    HD1  TRP   4           HD1      TRP   4  -7.191   5.782  -1.411
   22    HE1  TRP   4           HE1      TRP   4  -5.310   5.117  -3.037
   23    HE3  TRP   4          3HE       TRP   4 -10.041   3.906  -5.212
   24    HZ2  TRP   4           HZ2      TRP   4  -5.072   3.969  -5.606
   25    HZ3  TRP   4           HZ3      TRP   4  -8.911   3.056  -7.222
   26    HH2  TRP   4          2HH       TRP   4  -6.481   3.088  -7.413
   27    H    HIS   5           HN       HIS   5 -12.311   4.481  -2.243
   28    HA   HIS   5           HA       HIS   5 -13.850   5.251   0.126
   29    HB2  HIS   5           HB2      HIS   5 -14.449   6.056  -2.751
   30    HB3  HIS   5           HB1      HIS   5 -15.497   6.368  -1.379
   31    HD1  HIS   5           HD1      HIS   5 -14.932   8.456   0.072
   32    HD2  HIS   5           HD2      HIS   5 -12.098   7.615  -2.840
   33    HE1  HIS   5           HE1      HIS   5 -13.409  10.444  -0.014
   34    H    HIS   6           HN       HIS   6 -14.406   4.001  -3.133
   35    HA   HIS   6           HA       HIS   6 -15.938   1.809  -1.902
   36    HB2  HIS   6           HB2      HIS   6 -17.276   1.670  -3.990
   37    HB3  HIS   6           HB1      HIS   6 -17.451   3.213  -3.172
   38    HD1  HIS   6           HD1      HIS   6 -16.313   1.693  -6.380
   39    HD2  HIS   6           HD2      HIS   6 -16.295   5.395  -4.512
   40    HE1  HIS   6           HE1      HIS   6 -15.745   3.376  -8.171
   41    H    SER   7           HN       SER   7 -13.502   2.612  -4.293
   42    HA   SER   7           HA       SER   7 -13.298  -0.135  -5.063
   43    HB2  SER   7           HB2      SER   7 -11.415   0.907  -6.514
   44    HB3  SER   7           HB1      SER   7 -13.092   1.295  -6.898
   45    HG   SER   7           HG       SER   7 -11.665   3.126  -6.820
   46    H    CYS   8           HN       CYS   8 -11.731  -1.497  -4.498
   47    HA   CYS   8           HA       CYS   8  -9.764  -0.594  -2.535
   48    HB2  CYS   8           HB2      CYS   8 -11.084  -3.301  -2.803
   49    HB3  CYS   8           HB1      CYS   8  -9.920  -2.823  -1.573
   50    H    VAL   9           HN       VAL   9  -7.727  -1.056  -2.956
   51    HA   VAL   9           HA       VAL   9  -7.142  -2.515  -5.423
   52    HB   VAL   9           HB       VAL   9  -5.232  -0.834  -3.787
   53   HG11  VAL   9          HG11      VAL   9  -5.172  -1.683  -6.673
   54   HG12  VAL   9          HG12      VAL   9  -4.180  -2.322  -5.359
   55   HG13  VAL   9          3HG1      VAL   9  -3.984  -0.649  -5.876
   56   HG21  VAL   9          HG21      VAL   9  -7.008   0.109  -6.039
   57   HG22  VAL   9          HG22      VAL   9  -5.652   1.014  -5.359
   58   HG23  VAL   9          HG23      VAL   9  -7.037   0.636  -4.349
   59    HA   PRO  10           HA       PRO  10  -6.500  -5.801  -2.521
   60    HB2  PRO  10           HB2      PRO  10  -5.361  -7.563  -4.232
   61    HB3  PRO  10           HB1      PRO  10  -7.111  -7.297  -4.103
   62    HG2  PRO  10           HG2      PRO  10  -5.150  -6.253  -6.100
   63    HG3  PRO  10           HG1      PRO  10  -6.825  -6.776  -6.346
   64    HD2  PRO  10           HD2      PRO  10  -6.119  -4.180  -6.239
   65    HD3  PRO  10           HD1      PRO  10  -7.689  -4.751  -5.648
   66    H    SER  11           HN       SER  11  -4.932  -7.250  -1.696
   67    HA   SER  11           HA       SER  11  -2.466  -6.178  -1.028
   68    HB2  SER  11           HB2      SER  11  -3.612  -7.951   0.273
   69    HB3  SER  11           HB1      SER  11  -3.358  -9.075  -1.054
   70    HG   SER  11           HG       SER  11  -1.639  -8.258   0.910
   71    H    GLY  12           HN       GLY  12  -0.474  -6.513  -1.820
   72    HA2  GLY  12           HA2      GLY  12   1.064  -7.736  -3.273
   73    HA3  GLY  12           HA1      GLY  12  -0.255  -7.863  -4.430
   74    H    THR  13           HN       THR  13  -1.039  -5.079  -3.655
   75    HA   THR  13           HA       THR  13   0.384  -3.649  -5.617
   76    HB   THR  13           HB       THR  13  -1.262  -2.587  -3.326
   77    HG1  THR  13           HG1      THR  13  -2.780  -3.756  -4.295
   78   HG21  THR  13          HG21      THR  13  -1.772  -0.746  -4.882
   79   HG22  THR  13          HG22      THR  13  -0.722  -1.480  -6.095
   80   HG23  THR  13          HG23      THR  13  -0.038  -0.868  -4.586
   81    H    CYS  14           HN       CYS  14   2.379  -2.879  -5.358
   82    HA   CYS  14           HA       CYS  14   3.329  -2.546  -2.643
   83    HB2  CYS  14           HB2      CYS  14   4.886  -3.137  -5.150
   84    HB3  CYS  14           HB1      CYS  14   5.626  -2.766  -3.593
   85    H    ALA  15           HN       ALA  15   4.745  -0.821  -2.126
   86    HA   ALA  15           HA       ALA  15   4.789   1.437  -3.892
   87    HB1  ALA  15           HB1      ALA  15   3.884   2.905  -2.119
   88    HB2  ALA  15           HB2      ALA  15   3.518   1.481  -1.148
   89    HB3  ALA  15           HB3      ALA  15   2.688   1.739  -2.683
   90    H    ASP  16           HN       ASP  16   6.510   2.700  -3.407
   91    HA   ASP  16           HA       ASP  16   8.417   1.587  -1.512
   92    HB2  ASP  16           HB2      ASP  16  10.096   2.882  -2.627
   93    HB3  ASP  16           HB1      ASP  16   9.114   2.145  -3.883
   94    H    PHE  17           HN       PHE  17   9.178   2.734   0.192
   95    HA   PHE  17           HA       PHE  17   7.907   5.295   0.742
   96    HB2  PHE  17           HB2      PHE  17   8.295   2.925   2.580
   97    HB3  PHE  17           HB1      PHE  17   7.931   4.540   3.172
   98    HD1  PHE  17           HD1      PHE  17   5.761   5.522   2.816
   99    HD2  PHE  17           HD2      PHE  17   6.630   1.606   1.447
  100    HE1  PHE  17           HE1      PHE  17   3.363   5.112   2.518
  101    HE2  PHE  17           HE2      PHE  17   4.229   1.166   1.144
  102    HZ   PHE  17           HZ       PHE  17   2.583   2.924   1.677
  103    HA   PRO  18           HA       PRO  18  11.972   6.860   1.637
  104    HB2  PRO  18           HB2      PRO  18  10.942   7.819   4.256
  105    HB3  PRO  18           HB1      PRO  18  11.715   8.733   2.958
  106    HG2  PRO  18           HG2      PRO  18   9.103   8.950   3.354
  107    HG3  PRO  18           HG1      PRO  18   9.763   8.867   1.710
  108    HD2  PRO  18           HD2      PRO  18   8.430   6.730   3.321
  109    HD3  PRO  18           HD1      PRO  18   8.238   7.141   1.604
  110    H    TRP  19           HN       TRP  19  13.796   6.507   2.984
  111    HA   TRP  19           HA       TRP  19  13.687   4.039   4.330
  112    HB2  TRP  19           HB2      TRP  19  15.864   5.895   3.575
  113    HB3  TRP  19           HB1      TRP  19  16.188   4.794   4.921
  114    HD1  TRP  19           HD1      TRP  19  14.977   4.628   1.245
  115    HE1  TRP  19           HE1      TRP  19  15.608   2.305   0.327
  116    HE3  TRP  19          3HE       TRP  19  16.993   2.567   5.478
  117    HZ2  TRP  19           HZ2      TRP  19  16.777  -0.041   1.261
  118    HZ3  TRP  19           HZ3      TRP  19  17.840   0.273   5.370
  119    HH2  TRP  19          2HH       TRP  19  17.741  -1.007   3.300
  120    HA   PRO  20           HA       PRO  20  15.040   2.961   5.643
  121    HB2  PRO  20           HB2      PRO  20  15.097   1.576   7.897
  122    HB3  PRO  20           HB1      PRO  20  16.195   2.941   7.662
  123    HG2  PRO  20           HG2      PRO  20  13.757   2.752   9.346
  124    HG3  PRO  20           HG1      PRO  20  15.216   3.724   9.592
  125    HD2  PRO  20           HD2      PRO  20  12.723   4.555   8.466
  126    HD3  PRO  20           HD1      PRO  20  14.212   5.514   8.601
  127    H    LEU  21           HN       LEU  21  12.034   3.603   5.753
  128    HA   LEU  21           HA       LEU  21  10.774   1.097   6.232
  129    HB2  LEU  21           HB2      LEU  21  10.114   3.476   4.575
  130    HB3  LEU  21           HB1      LEU  21   8.989   2.128   4.740
  131    HG   LEU  21           HG       LEU  21   9.973   3.817   7.057
  132   HD11  LEU  21          HD11      LEU  21   7.787   4.908   6.940
  133   HD12  LEU  21          HD12      LEU  21   7.416   4.001   5.470
  134   HD13  LEU  21          HD13      LEU  21   8.721   5.188   5.472
  135   HD21  LEU  21          HD21      LEU  21   8.063   2.830   8.207
  136   HD22  LEU  21          HD22      LEU  21   9.163   1.574   7.633
  137   HD23  LEU  21          HD23      LEU  21   7.667   1.905   6.761
  138    H    GLY  22           HN       GLY  22  11.434   2.819   3.185
  139    HA2  GLY  22           HA2      GLY  22  12.331   2.058   1.225
  140    HA3  GLY  22           HA1      GLY  22  12.650   0.511   1.997
  141    H    HIS  23           HN       HIS  23  11.826  -0.836   0.462
  142    HA   HIS  23           HA       HIS  23   9.223  -0.400  -0.676
  143    HB2  HIS  23           HB2      HIS  23  11.027  -2.838  -0.822
  144    HB3  HIS  23           HB1      HIS  23   9.513  -2.667  -1.695
  145    HD1  HIS  23           HD1      HIS  23   9.638  -1.465  -3.961
  146    HD2  HIS  23           HD2      HIS  23  13.140  -1.236  -1.743
  147    HE1  HIS  23           HE1      HIS  23  11.374  -0.488  -5.494
  148    H    GLN  24           HN       GLN  24   7.948  -0.277   1.111
  149    HA   GLN  24           HA       GLN  24   7.769  -2.442   2.985
  150    HB2  GLN  24           HB2      GLN  24   6.061   0.002   2.567
  151    HB3  GLN  24           HB1      GLN  24   5.745  -1.201   3.800
  152    HG2  GLN  24           HG2      GLN  24   8.319   0.318   3.581
  153    HG3  GLN  24           HG1      GLN  24   6.965   0.794   4.611
  154   HE21  GLN  24          1HE2      GLN  24   6.413  -0.519   6.339
  155   HE22  GLN  24          2HE2      GLN  24   7.528  -1.630   7.033
  156    H    CYS  25           HN       CYS  25   5.839  -1.216   0.332
  157    HA   CYS  25           HA       CYS  25   4.207  -2.070  -0.939
  158    HB2  CYS  25           HB2      CYS  25   5.776  -4.028  -1.178
  159    HB3  CYS  25           HB1      CYS  25   4.989  -4.798   0.191
  160    H    PHE  26           HN       PHE  26   1.917  -3.025  -0.800
  161    HA   PHE  26           HA       PHE  26   0.961  -2.361   1.822
  162    HB2  PHE  26           HB2      PHE  26  -0.461  -2.770  -0.796
  163    HB3  PHE  26           HB1      PHE  26  -1.325  -2.562   0.726
  164    HD1  PHE  26           HD1      PHE  26   0.374  -0.910  -1.966
  165    HD2  PHE  26           HD2      PHE  26  -0.930  -0.494   2.054
  166    HE1  PHE  26           HE1      PHE  26   0.568   1.535  -2.167
  167    HE2  PHE  26           HE2      PHE  26  -0.740   1.963   1.865
  168    HZ   PHE  26           HZ       PHE  26   0.009   2.974  -0.249
  169    HA   PRO  27           HA       PRO  27   0.817  -6.587   3.142
  170    HB2  PRO  27           HB2      PRO  27  -1.040  -5.367   5.103
  171    HB3  PRO  27           HB1      PRO  27   0.377  -6.391   5.400
  172    HG2  PRO  27           HG2      PRO  27   0.467  -3.788   5.880
  173    HG3  PRO  27           HG1      PRO  27   1.846  -4.603   5.123
  174    HD2  PRO  27           HD2      PRO  27  -0.230  -2.860   3.880
  175    HD3  PRO  27           HD1      PRO  27   1.511  -2.983   3.561
  176    H    ASP  28           HN       ASP  28  -2.152  -4.601   3.063
  177    HA   ASP  28           HA       ASP  28  -3.576  -6.954   2.065
  178    HB2  ASP  28           HB2      ASP  28  -4.031  -6.554   4.532
  179    HB3  ASP  28           HB1      ASP  28  -4.731  -5.003   4.091
  Start of MODEL   15
    1    H1   GLY   1           HN       GLY   1  -4.997  -4.680   2.530
    2    HA2  GLY   1           HA2      GLY   1  -3.791  -3.448   0.208
    3    HA3  GLY   1           HA1      GLY   1  -5.132  -4.531  -0.135
    4    H    PHE   2           HN       PHE   2  -4.260  -1.446   0.467
    5    HA   PHE   2           HA       PHE   2  -6.544  -0.665   1.897
    6    HB2  PHE   2           HB2      PHE   2  -5.826   1.708   1.179
    7    HB3  PHE   2           HB1      PHE   2  -4.786   0.805   2.261
    8    HD1  PHE   2           HD1      PHE   2  -2.632   0.092   1.574
    9    HD2  PHE   2           HD2      PHE   2  -5.185   2.118  -1.126
   10    HE1  PHE   2           HE1      PHE   2  -0.710   0.491   0.089
   11    HE2  PHE   2           HE2      PHE   2  -3.274   2.529  -2.632
   12    HZ   PHE   2           HZ       PHE   2  -1.030   1.707  -2.015
   13    H    CYS   3           HN       CYS   3  -8.404  -0.032   1.327
   14    HA   CYS   3           HA       CYS   3  -9.125   0.588  -1.375
   15    HB2  CYS   3           HB2      CYS   3  -9.174  -1.825  -1.547
   16    HB3  CYS   3           HB1      CYS   3 -10.052  -1.974  -0.035
   17    H    TRP   4           HN       TRP   4 -10.963   1.837  -1.384
   18    HA   TRP   4           HA       TRP   4 -12.335   2.069   1.181
   19    HB2  TRP   4           HB2      TRP   4 -11.613   4.329  -0.704
   20    HB3  TRP   4           HB1      TRP   4 -12.604   4.490   0.748
   21    HD1  TRP   4           HD1      TRP   4 -11.344   4.511   3.064
   22    HE1  TRP   4           HE1      TRP   4  -8.881   4.829   3.708
   23    HE3  TRP   4          3HE       TRP   4  -9.229   3.787  -1.524
   24    HZ2  TRP   4           HZ2      TRP   4  -6.352   4.756   2.419
   25    HZ3  TRP   4           HZ3      TRP   4  -6.784   3.927  -1.739
   26    HH2  TRP   4          2HH       TRP   4  -5.377   4.403   0.196
   27    H    HIS   5           HN       HIS   5 -13.305   4.089  -1.436
   28    HA   HIS   5           HA       HIS   5 -15.404   2.175  -2.108
   29    HB2  HIS   5           HB2      HIS   5 -15.796   5.125  -1.578
   30    HB3  HIS   5           HB1      HIS   5 -16.991   4.123  -2.394
   31    HD1  HIS   5           HD1      HIS   5 -18.390   2.507  -0.911
   32    HD2  HIS   5           HD2      HIS   5 -15.483   4.641   1.142
   33    HE1  HIS   5           HE1      HIS   5 -18.828   2.097   1.534
   34    H    HIS   6           HN       HIS   6 -14.079   5.271  -3.211
   35    HA   HIS   6           HA       HIS   6 -14.667   4.553  -5.942
   36    HB2  HIS   6           HB2      HIS   6 -13.210   6.980  -4.845
   37    HB3  HIS   6           HB1      HIS   6 -13.732   6.763  -6.509
   38    HD1  HIS   6           HD1      HIS   6 -14.800   8.242  -3.388
   39    HD2  HIS   6           HD2      HIS   6 -16.677   6.571  -6.693
   40    HE1  HIS   6           HE1      HIS   6 -17.174   9.049  -3.321
   41    H    SER   7           HN       SER   7 -11.863   5.075  -3.893
   42    HA   SER   7           HA       SER   7 -10.092   4.029  -5.959
   43    HB2  SER   7           HB2      SER   7  -9.461   5.100  -3.199
   44    HB3  SER   7           HB1      SER   7  -8.307   4.778  -4.495
   45    HG   SER   7           HG       SER   7 -10.176   6.369  -5.468
   46    H    CYS   8           HN       CYS   8  -9.523   1.891  -5.894
   47    HA   CYS   8           HA       CYS   8  -9.539   0.559  -3.331
   48    HB2  CYS   8           HB2      CYS   8 -11.803   0.234  -4.339
   49    HB3  CYS   8           HB1      CYS   8 -11.029  -0.566  -5.704
   50    H    VAL   9           HN       VAL   9  -7.679  -0.517  -3.145
   51    HA   VAL   9           HA       VAL   9  -6.430  -1.462  -5.598
   52    HB   VAL   9           HB       VAL   9  -5.080  -0.759  -2.956
   53   HG11  VAL   9          HG11      VAL   9  -3.847  -2.367  -4.281
   54   HG12  VAL   9          HG12      VAL   9  -3.010  -0.812  -4.227
   55   HG13  VAL   9          3HG1      VAL   9  -3.900  -1.288  -5.678
   56   HG21  VAL   9          HG21      VAL   9  -5.252   0.877  -5.480
   57   HG22  VAL   9          HG22      VAL   9  -4.238   1.261  -4.090
   58   HG23  VAL   9          HG23      VAL   9  -5.997   1.265  -3.930
   59    HA   PRO  10           HA       PRO  10  -7.375  -5.575  -4.049
   60    HB2  PRO  10           HB2      PRO  10  -4.811  -6.317  -5.362
   61    HB3  PRO  10           HB1      PRO  10  -6.421  -7.015  -5.565
   62    HG2  PRO  10           HG2      PRO  10  -5.422  -5.443  -7.436
   63    HG3  PRO  10           HG1      PRO  10  -7.127  -5.313  -6.971
   64    HD2  PRO  10           HD2      PRO  10  -4.833  -3.536  -6.249
   65    HD3  PRO  10           HD1      PRO  10  -6.509  -3.126  -6.672
   66    H    SER  11           HN       SER  11  -6.674  -7.181  -2.636
   67    HA   SER  11           HA       SER  11  -5.125  -6.420  -0.425
   68    HB2  SER  11           HB2      SER  11  -6.985  -8.113  -0.418
   69    HB3  SER  11           HB1      SER  11  -5.925  -9.222  -1.278
   70    HG   SER  11           HG       SER  11  -5.602  -8.185   1.353
   71    H    GLY  12           HN       GLY  12  -3.000  -6.331  -0.217
   72    HA2  GLY  12           HA2      GLY  12  -0.866  -7.360  -0.316
   73    HA3  GLY  12           HA1      GLY  12  -1.323  -8.064  -1.875
   74    H    THR  13           HN       THR  13  -0.419  -5.142  -0.220
   75    HA   THR  13           HA       THR  13  -0.362  -3.808  -2.793
   76    HB   THR  13           HB       THR  13  -0.396  -1.681  -1.353
   77    HG1  THR  13           HG1      THR  13  -1.468  -3.578   0.488
   78   HG21  THR  13          HG21      THR  13  -2.794  -3.492  -1.574
   79   HG22  THR  13          HG22      THR  13  -2.228  -2.334  -2.778
   80   HG23  THR  13          HG23      THR  13  -2.863  -1.762  -1.235
   81    H    CYS  14           HN       CYS  14   1.535  -3.709  -3.600
   82    HA   CYS  14           HA       CYS  14   3.827  -3.489  -1.897
   83    HB2  CYS  14           HB2      CYS  14   3.781  -4.912  -3.984
   84    HB3  CYS  14           HB1      CYS  14   3.701  -3.419  -4.913
   85    H    ALA  15           HN       ALA  15   4.279  -1.608  -1.120
   86    HA   ALA  15           HA       ALA  15   3.767   0.781  -2.729
   87    HB1  ALA  15           HB1      ALA  15   1.984   0.524  -1.043
   88    HB2  ALA  15           HB2      ALA  15   2.989   1.948  -0.755
   89    HB3  ALA  15           HB3      ALA  15   3.223   0.503   0.219
   90    H    ASP  16           HN       ASP  16   5.239   2.352  -2.544
   91    HA   ASP  16           HA       ASP  16   7.668   1.727  -1.073
   92    HB2  ASP  16           HB2      ASP  16   8.752   3.482  -2.335
   93    HB3  ASP  16           HB1      ASP  16   7.843   2.498  -3.470
   94    H    PHE  17           HN       PHE  17   8.503   3.114   0.382
   95    HA   PHE  17           HA       PHE  17   6.767   5.193   1.468
   96    HB2  PHE  17           HB2      PHE  17   8.211   2.962   2.921
   97    HB3  PHE  17           HB1      PHE  17   7.537   4.363   3.739
   98    HD1  PHE  17           HD1      PHE  17   6.804   1.182   2.098
   99    HD2  PHE  17           HD2      PHE  17   5.141   4.659   3.887
  100    HE1  PHE  17           HE1      PHE  17   4.648   0.048   2.280
  101    HE2  PHE  17           HE2      PHE  17   2.989   3.540   4.069
  102    HZ   PHE  17           HZ       PHE  17   2.721   1.222   3.269
  103    HA   PRO  18           HA       PRO  18  10.658   7.652   1.764
  104    HB2  PRO  18           HB2      PRO  18  10.126   7.724   4.690
  105    HB3  PRO  18           HB1      PRO  18  10.471   9.062   3.586
  106    HG2  PRO  18           HG2      PRO  18   8.013   8.720   4.474
  107    HG3  PRO  18           HG1      PRO  18   8.283   9.109   2.765
  108    HD2  PRO  18           HD2      PRO  18   7.605   6.487   4.026
  109    HD3  PRO  18           HD1      PRO  18   7.026   7.181   2.497
  110    H    TRP  19           HN       TRP  19  12.686   7.289   2.132
  111    HA   TRP  19           HA       TRP  19  13.558   4.749   2.903
  112    HB2  TRP  19           HB2      TRP  19  15.161   5.605   1.534
  113    HB3  TRP  19           HB1      TRP  19  14.645   7.247   1.844
  114    HD1  TRP  19           HD1      TRP  19  15.842   8.536   3.718
  115    HE1  TRP  19           HE1      TRP  19  18.211   8.226   4.844
  116    HE3  TRP  19          3HE       TRP  19  16.822   3.809   2.188
  117    HZ2  TRP  19           HZ2      TRP  19  20.158   6.209   4.996
  118    HZ3  TRP  19           HZ3      TRP  19  18.935   2.741   2.840
  119    HH2  TRP  19          2HH       TRP  19  20.562   3.913   4.213
  120    HA   PRO  20           HA       PRO  20  15.331   3.808   3.852
  121    HB2  PRO  20           HB2      PRO  20  16.096   2.166   5.756
  122    HB3  PRO  20           HB1      PRO  20  16.859   3.754   5.591
  123    HG2  PRO  20           HG2      PRO  20  14.851   2.819   7.579
  124    HG3  PRO  20           HG1      PRO  20  16.184   3.968   7.775
  125    HD2  PRO  20           HD2      PRO  20  13.448   4.584   7.283
  126    HD3  PRO  20           HD1      PRO  20  14.808   5.721   7.282
  127    H    LEU  21           HN       LEU  21  12.358   3.820   4.732
  128    HA   LEU  21           HA       LEU  21  11.789   1.037   4.945
  129    HB2  LEU  21           HB2      LEU  21  10.252   3.454   4.251
  130    HB3  LEU  21           HB1      LEU  21   9.452   1.875   4.322
  131    HG   LEU  21           HG       LEU  21  10.766   3.364   6.622
  132   HD11  LEU  21          HD11      LEU  21   8.654   4.362   5.919
  133   HD12  LEU  21          HD12      LEU  21   8.491   3.574   7.488
  134   HD13  LEU  21          HD13      LEU  21   7.863   2.790   6.039
  135   HD21  LEU  21          HD21      LEU  21   9.275   0.743   6.573
  136   HD22  LEU  21          HD22      LEU  21   9.792   1.590   8.026
  137   HD23  LEU  21          HD23      LEU  21  10.995   0.954   6.905
  138    H    GLY  22           HN       GLY  22  11.249   3.438   2.355
  139    HA2  GLY  22           HA2      GLY  22  11.304   3.214   0.064
  140    HA3  GLY  22           HA1      GLY  22  12.384   1.843   0.315
  141    H    HIS  23           HN       HIS  23  11.515   0.349  -1.020
  142    HA   HIS  23           HA       HIS  23   8.683  -0.059  -1.095
  143    HB2  HIS  23           HB2      HIS  23  10.972  -1.499  -2.410
  144    HB3  HIS  23           HB1      HIS  23   9.340  -2.152  -2.456
  145    HD1  HIS  23           HD1      HIS  23  11.513   0.394  -4.101
  146    HD2  HIS  23           HD2      HIS  23   7.468  -0.539  -3.835
  147    HE1  HIS  23           HE1      HIS  23  10.382   1.640  -5.960
  148    H    GLN  24           HN       GLN  24   7.997  -0.526   0.822
  149    HA   GLN  24           HA       GLN  24   9.068  -2.755   2.320
  150    HB2  GLN  24           HB2      GLN  24   6.671  -0.985   2.779
  151    HB3  GLN  24           HB1      GLN  24   7.076  -2.336   3.826
  152    HG2  GLN  24           HG2      GLN  24   8.874   0.009   3.270
  153    HG3  GLN  24           HG1      GLN  24   7.851  -0.168   4.698
  154   HE21  GLN  24          1HE2      GLN  24  10.733  -1.225   3.098
  155   HE22  GLN  24          2HE2      GLN  24  11.356  -2.161   4.392
  156    H    CYS  25           HN       CYS  25   5.973  -1.998   0.821
  157    HA   CYS  25           HA       CYS  25   4.350  -3.223  -0.089
  158    HB2  CYS  25           HB2      CYS  25   6.577  -5.204  -0.663
  159    HB3  CYS  25           HB1      CYS  25   5.044  -5.115  -1.533
  160    H    PHE  26           HN       PHE  26   2.789  -3.889   1.163
  161    HA   PHE  26           HA       PHE  26   3.393  -5.973   3.106
  162    HB2  PHE  26           HB2      PHE  26   1.784  -4.828   4.662
  163    HB3  PHE  26           HB1      PHE  26   3.204  -3.875   4.285
  164    HD1  PHE  26           HD1      PHE  26  -0.351  -4.042   4.276
  165    HD2  PHE  26           HD2      PHE  26   2.980  -1.999   2.623
  166    HE1  PHE  26           HE1      PHE  26  -1.812  -2.160   3.674
  167    HE2  PHE  26           HE2      PHE  26   1.546  -0.121   2.002
  168    HZ   PHE  26           HZ       PHE  26  -0.860  -0.184   2.536
  169    HA   PRO  27           HA       PRO  27   0.316  -8.474   1.452
  170    HB2  PRO  27           HB2      PRO  27  -0.682  -9.794   3.580
  171    HB3  PRO  27           HB1      PRO  27   0.963 -10.043   2.982
  172    HG2  PRO  27           HG2      PRO  27   0.008  -8.386   5.274
  173    HG3  PRO  27           HG1      PRO  27   1.413  -9.465   5.187
  174    HD2  PRO  27           HD2      PRO  27   1.572  -6.772   4.948
  175    HD3  PRO  27           HD1      PRO  27   2.710  -7.865   4.143
  176    H    ASP  28           HN       ASP  28  -0.820  -5.946   3.409
  177    HA   ASP  28           HA       ASP  28  -3.561  -6.845   3.121
  178    HB2  ASP  28           HB2      ASP  28  -2.627  -5.676   5.262
  179    HB3  ASP  28           HB1      ASP  28  -2.780  -4.190   4.326
  Start of MODEL   16
    1    H1   GLY   1           HN       GLY   1  -5.567  -6.158   1.032
    2    HA2  GLY   1           HA2      GLY   1  -4.415  -3.693  -0.090
    3    HA3  GLY   1           HA1      GLY   1  -5.535  -4.699  -1.015
    4    H    PHE   2           HN       PHE   2  -6.561  -2.296  -0.796
    5    HA   PHE   2           HA       PHE   2  -8.590  -2.582   1.238
    6    HB2  PHE   2           HB2      PHE   2  -8.226  -0.386   2.269
    7    HB3  PHE   2           HB1      PHE   2  -6.834  -1.431   2.501
    8    HD1  PHE   2           HD1      PHE   2  -8.082   1.625   0.933
    9    HD2  PHE   2           HD2      PHE   2  -4.718  -0.946   1.357
   10    HE1  PHE   2           HE1      PHE   2  -6.626   3.386   0.038
   11    HE2  PHE   2           HE2      PHE   2  -3.258   0.819   0.461
   12    HZ   PHE   2           HZ       PHE   2  -4.211   2.985  -0.200
   13    H    CYS   3           HN       CYS   3 -10.418  -1.412   0.828
   14    HA   CYS   3           HA       CYS   3 -10.511   0.022  -1.718
   15    HB2  CYS   3           HB2      CYS   3 -12.763  -0.834   0.128
   16    HB3  CYS   3           HB1      CYS   3 -12.942  -0.151  -1.484
   17    H    TRP   4           HN       TRP   4 -10.394   2.196  -1.687
   18    HA   TRP   4           HA       TRP   4 -10.341   3.505   0.841
   19    HB2  TRP   4           HB2      TRP   4  -8.797   4.068  -0.949
   20    HB3  TRP   4           HB1      TRP   4 -10.133   4.443  -2.018
   21    HD1  TRP   4           HD1      TRP   4  -9.407   5.770   1.570
   22    HE1  TRP   4           HE1      TRP   4  -9.332   8.346   1.413
   23    HE3  TRP   4          3HE       TRP   4 -10.078   6.185  -3.368
   24    HZ2  TRP   4           HZ2      TRP   4  -9.544  10.316  -0.623
   25    HZ3  TRP   4           HZ3      TRP   4 -10.136   8.463  -4.429
   26    HH2  TRP   4          2HH       TRP   4  -9.871  10.472  -3.061
   27    H    HIS   5           HN       HIS   5 -12.202   4.241  -2.099
   28    HA   HIS   5           HA       HIS   5 -14.572   4.262  -0.391
   29    HB2  HIS   5           HB2      HIS   5 -13.957   6.194  -2.647
   30    HB3  HIS   5           HB1      HIS   5 -15.580   5.956  -2.026
   31    HD1  HIS   5           HD1      HIS   5 -16.194   7.225   0.107
   32    HD2  HIS   5           HD2      HIS   5 -12.150   7.411  -0.813
   33    HE1  HIS   5           HE1      HIS   5 -15.215   8.946   1.641
   34    H    HIS   6           HN       HIS   6 -13.969   4.448  -3.849
   35    HA   HIS   6           HA       HIS   6 -15.633   2.051  -4.136
   36    HB2  HIS   6           HB2      HIS   6 -15.083   4.292  -6.091
   37    HB3  HIS   6           HB1      HIS   6 -15.932   2.813  -6.518
   38    HD1  HIS   6           HD1      HIS   6 -18.410   2.705  -5.949
   39    HD2  HIS   6           HD2      HIS   6 -16.485   5.981  -4.272
   40    HE1  HIS   6           HE1      HIS   6 -20.228   4.178  -5.002
   41    H    SER   7           HN       SER   7 -12.591   3.542  -4.875
   42    HA   SER   7           HA       SER   7 -11.687   1.517  -6.640
   43    HB2  SER   7           HB2      SER   7 -10.111   3.546  -5.068
   44    HB3  SER   7           HB1      SER   7  -9.607   2.694  -6.531
   45    HG   SER   7           HG       SER   7 -11.329   3.739  -7.631
   46    H    CYS   8           HN       CYS   8 -10.848  -0.400  -6.077
   47    HA   CYS   8           HA       CYS   8 -10.025  -0.799  -3.306
   48    HB2  CYS   8           HB2      CYS   8 -11.094  -2.801  -5.294
   49    HB3  CYS   8           HB1      CYS   8 -10.463  -3.213  -3.703
   50    H    VAL   9           HN       VAL   9  -8.013  -0.595  -3.111
   51    HA   VAL   9           HA       VAL   9  -6.090  -0.884  -5.153
   52    HB   VAL   9           HB       VAL   9  -5.678  -0.884  -2.151
   53   HG11  VAL   9          HG11      VAL   9  -3.471   0.027  -2.645
   54   HG12  VAL   9          HG12      VAL   9  -3.807  -0.078  -4.372
   55   HG13  VAL   9          3HG1      VAL   9  -3.700  -1.549  -3.406
   56   HG21  VAL   9          HG21      VAL   9  -5.823   1.468  -4.028
   57   HG22  VAL   9          HG22      VAL   9  -5.390   1.532  -2.318
   58   HG23  VAL   9          HG23      VAL   9  -7.010   1.039  -2.796
   59    HA   PRO  10           HA       PRO  10  -5.797  -5.346  -5.260
   60    HB2  PRO  10           HB2      PRO  10  -2.960  -4.693  -5.876
   61    HB3  PRO  10           HB1      PRO  10  -4.078  -5.765  -6.726
   62    HG2  PRO  10           HG2      PRO  10  -3.487  -3.352  -7.692
   63    HG3  PRO  10           HG1      PRO  10  -5.119  -4.022  -7.831
   64    HD2  PRO  10           HD2      PRO  10  -4.091  -1.886  -6.046
   65    HD3  PRO  10           HD1      PRO  10  -5.704  -2.102  -6.757
   66    H    SER  11           HN       SER  11  -5.100  -6.946  -3.968
   67    HA   SER  11           HA       SER  11  -4.129  -6.451  -1.403
   68    HB2  SER  11           HB2      SER  11  -4.097  -9.032  -2.982
   69    HB3  SER  11           HB1      SER  11  -4.014  -8.877  -1.224
   70    HG   SER  11           HG       SER  11  -6.177  -8.429  -2.959
   71    H    GLY  12           HN       GLY  12  -2.135  -5.907  -0.847
   72    HA2  GLY  12           HA2      GLY  12   0.210  -6.418  -0.815
   73    HA3  GLY  12           HA1      GLY  12   0.082  -6.843  -2.525
   74    H    THR  13           HN       THR  13  -1.029  -4.122  -0.593
   75    HA   THR  13           HA       THR  13  -0.255  -2.363  -2.705
   76    HB   THR  13           HB       THR  13  -2.377  -1.898  -1.679
   77    HG1  THR  13           HG1      THR  13  -1.025  -0.117  -2.318
   78   HG21  THR  13          HG21      THR  13  -0.833  -1.531   0.840
   79   HG22  THR  13          HG22      THR  13  -1.931  -2.862   0.460
   80   HG23  THR  13          HG23      THR  13  -2.574  -1.216   0.669
   81    H    CYS  14           HN       CYS  14   1.575  -1.339  -2.834
   82    HA   CYS  14           HA       CYS  14   3.295  -1.327  -0.453
   83    HB2  CYS  14           HB2      CYS  14   4.322  -1.540  -3.265
   84    HB3  CYS  14           HB1      CYS  14   5.169  -1.889  -1.773
   85    H    ALA  15           HN       ALA  15   3.430   0.730   0.170
   86    HA   ALA  15           HA       ALA  15   3.265   2.849  -1.777
   87    HB1  ALA  15           HB1      ALA  15   2.042   3.049   0.344
   88    HB2  ALA  15           HB2      ALA  15   3.247   4.321   0.170
   89    HB3  ALA  15           HB3      ALA  15   3.565   2.946   1.228
   90    H    ASP  16           HN       ASP  16   4.921   4.261  -2.203
   91    HA   ASP  16           HA       ASP  16   7.562   3.159  -1.870
   92    HB2  ASP  16           HB2      ASP  16   6.670   5.739  -3.188
   93    HB3  ASP  16           HB1      ASP  16   8.319   5.148  -3.180
   94    H    PHE  17           HN       PHE  17   8.206   3.324   0.216
   95    HA   PHE  17           HA       PHE  17   8.100   5.942   1.476
   96    HB2  PHE  17           HB2      PHE  17   8.949   3.241   2.558
   97    HB3  PHE  17           HB1      PHE  17   8.955   4.730   3.482
   98    HD1  PHE  17           HD1      PHE  17   6.721   5.938   3.751
   99    HD2  PHE  17           HD2      PHE  17   7.081   1.891   2.522
  100    HE1  PHE  17           HE1      PHE  17   4.408   5.533   4.453
  101    HE2  PHE  17           HE2      PHE  17   4.765   1.468   3.212
  102    HZ   PHE  17           HZ       PHE  17   3.416   3.287   4.183
  103    HA   PRO  18           HA       PRO  18  12.438   6.667   0.596
  104    HB2  PRO  18           HB2      PRO  18  12.748   7.657   3.364
  105    HB3  PRO  18           HB1      PRO  18  12.997   8.516   1.844
  106    HG2  PRO  18           HG2      PRO  18  10.891   9.039   3.424
  107    HG3  PRO  18           HG1      PRO  18  10.775   9.108   1.657
  108    HD2  PRO  18           HD2      PRO  18   9.817   6.967   3.528
  109    HD3  PRO  18           HD1      PRO  18   9.076   7.614   2.053
  110    H    TRP  19           HN       TRP  19  14.587   6.009   1.383
  111    HA   TRP  19           HA       TRP  19  14.451   3.437   2.544
  112    HB2  TRP  19           HB2      TRP  19  16.582   5.051   1.284
  113    HB3  TRP  19           HB1      TRP  19  17.096   3.810   2.428
  114    HD1  TRP  19           HD1      TRP  19  14.811   4.054  -0.699
  115    HE1  TRP  19           HE1      TRP  19  14.944   1.786  -1.912
  116    HE3  TRP  19          3HE       TRP  19  17.864   1.574   2.555
  117    HZ2  TRP  19           HZ2      TRP  19  16.175  -0.700  -1.513
  118    HZ3  TRP  19           HZ3      TRP  19  18.478  -0.747   2.059
  119    HH2  TRP  19          2HH       TRP  19  17.652  -1.866   0.064
  120    HA   PRO  20           HA       PRO  20  15.898   2.045   3.356
  121    HB2  PRO  20           HB2      PRO  20  16.400   0.471   5.401
  122    HB3  PRO  20           HB1      PRO  20  17.578   1.716   4.964
  123    HG2  PRO  20           HG2      PRO  20  15.630   1.669   7.222
  124    HG3  PRO  20           HG1      PRO  20  17.263   2.349   7.165
  125    HD2  PRO  20           HD2      PRO  20  14.821   3.751   6.833
  126    HD3  PRO  20           HD1      PRO  20  16.455   4.381   6.552
  127    H    LEU  21           HN       LEU  21  13.282   3.168   4.595
  128    HA   LEU  21           HA       LEU  21  11.778   0.869   5.314
  129    HB2  LEU  21           HB2      LEU  21  11.081   3.498   4.130
  130    HB3  LEU  21           HB1      LEU  21   9.837   2.374   4.688
  131    HG   LEU  21           HG       LEU  21  11.919   3.779   6.397
  132   HD11  LEU  21          HD11      LEU  21  10.205   5.294   5.558
  133   HD12  LEU  21          HD12      LEU  21  10.010   5.020   7.291
  134   HD13  LEU  21          HD13      LEU  21   8.947   4.205   6.142
  135   HD21  LEU  21          HD21      LEU  21  11.323   1.592   7.302
  136   HD22  LEU  21          HD22      LEU  21   9.614   1.998   7.169
  137   HD23  LEU  21          HD23      LEU  21  10.645   2.885   8.294
  138    H    GLY  22           HN       GLY  22  11.768   2.873   2.386
  139    HA2  GLY  22           HA2      GLY  22  11.537   2.380   0.177
  140    HA3  GLY  22           HA1      GLY  22  12.204   0.798   0.555
  141    H    HIS  23           HN       HIS  23  10.944  -0.721  -0.163
  142    HA   HIS  23           HA       HIS  23   8.095  -0.247  -0.341
  143    HB2  HIS  23           HB2      HIS  23   9.751  -2.589  -1.351
  144    HB3  HIS  23           HB1      HIS  23   8.031  -2.374  -1.624
  145    HD1  HIS  23           HD1      HIS  23   7.603  -1.565  -3.979
  146    HD2  HIS  23           HD2      HIS  23  11.209  -0.147  -2.465
  147    HE1  HIS  23           HE1      HIS  23   8.635  -0.173  -5.797
  148    H    GLN  24           HN       GLN  24   7.844  -0.250   1.952
  149    HA   GLN  24           HA       GLN  24   8.360  -2.567   3.530
  150    HB2  GLN  24           HB2      GLN  24   6.351  -0.339   3.879
  151    HB3  GLN  24           HB1      GLN  24   6.538  -1.629   5.056
  152    HG2  GLN  24           HG2      GLN  24   8.709   0.288   4.228
  153    HG3  GLN  24           HG1      GLN  24   7.708   0.459   5.667
  154   HE21  GLN  24          1HE2      GLN  24   7.738  -2.459   6.210
  155   HE22  GLN  24          2HE2      GLN  24   9.309  -2.786   6.808
  156    H    CYS  25           HN       CYS  25   5.323  -1.363   2.210
  157    HA   CYS  25           HA       CYS  25   3.627  -2.283   1.141
  158    HB2  CYS  25           HB2      CYS  25   5.438  -3.375  -0.195
  159    HB3  CYS  25           HB1      CYS  25   5.239  -4.794   0.827
  160    H    PHE  26           HN       PHE  26   1.773  -3.246   1.502
  161    HA   PHE  26           HA       PHE  26   1.591  -4.769   3.976
  162    HB2  PHE  26           HB2      PHE  26  -0.507  -3.243   2.427
  163    HB3  PHE  26           HB1      PHE  26  -0.829  -4.201   3.866
  164    HD1  PHE  26           HD1      PHE  26   0.371  -3.591   5.963
  165    HD2  PHE  26           HD2      PHE  26   0.142  -1.031   2.601
  166    HE1  PHE  26           HE1      PHE  26   0.893  -1.648   7.414
  167    HE2  PHE  26           HE2      PHE  26   0.662   0.904   3.994
  168    HZ   PHE  26           HZ       PHE  26   1.038   0.610   6.423
  169    HA   PRO  27           HA       PRO  27   0.840  -8.482   1.561
  170    HB2  PRO  27           HB2      PRO  27  -0.793  -8.941   4.018
  171    HB3  PRO  27           HB1      PRO  27   0.314 -10.074   3.203
  172    HG2  PRO  27           HG2      PRO  27   1.090  -8.894   5.401
  173    HG3  PRO  27           HG1      PRO  27   2.200  -8.904   4.014
  174    HD2  PRO  27           HD2      PRO  27   0.478  -6.680   5.036
  175    HD3  PRO  27           HD1      PRO  27   2.143  -6.641   4.419
  176    H    ASP  28           HN       ASP  28  -1.699  -6.610   3.132
  177    HA   ASP  28           HA       ASP  28  -3.763  -7.852   1.489
  178    HB2  ASP  28           HB2      ASP  28  -5.338  -6.819   3.047
  179    HB3  ASP  28           HB1      ASP  28  -4.135  -7.761   3.921
  Start of MODEL   17
    1    H1   GLY   1           HN       GLY   1  -5.216  -6.124   1.114
    2    HA2  GLY   1           HA2      GLY   1  -3.612  -3.762   0.438
    3    HA3  GLY   1           HA1      GLY   1  -5.004  -4.303  -0.494
    4    H    PHE   2           HN       PHE   2  -6.015  -2.338  -0.210
    5    HA   PHE   2           HA       PHE   2  -7.631  -2.202   2.094
    6    HB2  PHE   2           HB2      PHE   2  -7.028   0.178   2.671
    7    HB3  PHE   2           HB1      PHE   2  -5.807  -1.002   3.106
    8    HD1  PHE   2           HD1      PHE   2  -3.632  -0.942   2.107
    9    HD2  PHE   2           HD2      PHE   2  -6.652   1.760   0.808
   10    HE1  PHE   2           HE1      PHE   2  -1.935   0.402   0.972
   11    HE2  PHE   2           HE2      PHE   2  -4.949   3.105  -0.344
   12    HZ   PHE   2           HZ       PHE   2  -2.588   2.429  -0.265
   13    H    CYS   3           HN       CYS   3  -9.496  -1.165   1.646
   14    HA   CYS   3           HA       CYS   3  -9.564   0.055  -0.976
   15    HB2  CYS   3           HB2      CYS   3 -11.653  -1.778   0.204
   16    HB3  CYS   3           HB1      CYS   3 -11.843  -0.882  -1.302
   17    H    TRP   4           HN       TRP   4 -10.264   1.979  -1.073
   18    HA   TRP   4           HA       TRP   4 -11.851   3.053   1.108
   19    HB2  TRP   4           HB2      TRP   4  -9.458   3.744   1.220
   20    HB3  TRP   4           HB1      TRP   4  -9.530   4.267  -0.450
   21    HD1  TRP   4           HD1      TRP   4 -11.011   5.233   3.000
   22    HE1  TRP   4           HE1      TRP   4 -11.450   7.772   2.959
   23    HE3  TRP   4          3HE       TRP   4  -9.764   6.161  -1.819
   24    HZ2  TRP   4           HZ2      TRP   4 -11.286   9.883   1.116
   25    HZ3  TRP   4           HZ3      TRP   4  -9.918   8.484  -2.676
   26    HH2  TRP   4          2HH       TRP   4 -10.671  10.300  -1.226
   27    H    HIS   5           HN       HIS   5 -12.568   5.379  -0.082
   28    HA   HIS   5           HA       HIS   5 -14.557   4.719  -1.899
   29    HB2  HIS   5           HB2      HIS   5 -13.251   7.411  -1.447
   30    HB3  HIS   5           HB1      HIS   5 -14.719   7.172  -2.381
   31    HD1  HIS   5           HD1      HIS   5 -16.907   6.981  -1.069
   32    HD2  HIS   5           HD2      HIS   5 -13.519   6.971   1.334
   33    HE1  HIS   5           HE1      HIS   5 -17.729   7.197   1.306
   34    H    HIS   6           HN       HIS   6 -14.425   4.013  -3.837
   35    HA   HIS   6           HA       HIS   6 -13.998   3.737  -6.033
   36    HB2  HIS   6           HB2      HIS   6 -12.147   6.129  -5.820
   37    HB3  HIS   6           HB1      HIS   6 -12.565   5.326  -7.318
   38    HD1  HIS   6           HD1      HIS   6 -14.473   6.384  -8.560
   39    HD2  HIS   6           HD2      HIS   6 -14.482   7.368  -4.528
   40    HE1  HIS   6           HE1      HIS   6 -16.274   8.125  -8.266
   41    H    SER   7           HN       SER   7 -11.073   4.611  -4.328
   42    HA   SER   7           HA       SER   7  -9.408   2.864  -5.859
   43    HB2  SER   7           HB2      SER   7  -8.842   4.258  -3.290
   44    HB3  SER   7           HB1      SER   7  -7.647   3.693  -4.451
   45    HG   SER   7           HG       SER   7  -8.243   6.013  -4.478
   46    H    CYS   8           HN       CYS   8 -10.183   0.837  -5.507
   47    HA   CYS   8           HA       CYS   8  -9.916  -0.240  -2.803
   48    HB2  CYS   8           HB2      CYS   8 -12.086  -0.683  -3.921
   49    HB3  CYS   8           HB1      CYS   8 -11.232  -1.467  -5.238
   50    H    VAL   9           HN       VAL   9  -7.908  -0.890  -2.443
   51    HA   VAL   9           HA       VAL   9  -6.302  -1.799  -4.672
   52    HB   VAL   9           HB       VAL   9  -5.483  -1.328  -1.798
   53   HG11  VAL   9          HG11      VAL   9  -3.847  -1.516  -4.313
   54   HG12  VAL   9          HG12      VAL   9  -3.961  -2.736  -3.042
   55   HG13  VAL   9          3HG1      VAL   9  -3.234  -1.167  -2.696
   56   HG21  VAL   9          HG21      VAL   9  -4.604   0.839  -2.541
   57   HG22  VAL   9          HG22      VAL   9  -6.355   0.741  -2.700
   58   HG23  VAL   9          HG23      VAL   9  -5.330   0.579  -4.129
   59    HA   PRO  10           HA       PRO  10  -7.132  -6.000  -3.368
   60    HB2  PRO  10           HB2      PRO  10  -5.371  -7.192  -5.052
   61    HB3  PRO  10           HB1      PRO  10  -6.961  -6.621  -5.580
   62    HG2  PRO  10           HG2      PRO  10  -4.279  -5.348  -5.891
   63    HG3  PRO  10           HG1      PRO  10  -5.624  -5.417  -7.042
   64    HD2  PRO  10           HD2      PRO  10  -5.059  -3.237  -5.537
   65    HD3  PRO  10           HD1      PRO  10  -6.709  -3.635  -6.068
   66    H    SER  11           HN       SER  11  -5.845  -7.835  -2.575
   67    HA   SER  11           HA       SER  11  -4.128  -7.239  -0.534
   68    HB2  SER  11           HB2      SER  11  -4.183  -9.790  -2.127
   69    HB3  SER  11           HB1      SER  11  -3.744  -9.605  -0.430
   70    HG   SER  11           HG       SER  11  -5.846  -9.193   0.098
   71    H    GLY  12           HN       GLY  12  -2.131  -6.358  -0.674
   72    HA2  GLY  12           HA2      GLY  12   0.194  -6.839  -1.209
   73    HA3  GLY  12           HA1      GLY  12  -0.355  -7.270  -2.829
   74    H    THR  13           HN       THR  13   0.143  -4.657  -0.589
   75    HA   THR  13           HA       THR  13  -0.140  -2.812  -2.858
   76    HB   THR  13           HB       THR  13  -0.384  -2.069   0.032
   77    HG1  THR  13           HG1      THR  13  -2.130  -3.348  -1.665
   78   HG21  THR  13          HG21      THR  13  -1.179  -0.720  -2.555
   79   HG22  THR  13          HG22      THR  13   0.102  -0.213  -1.456
   80   HG23  THR  13          HG23      THR  13  -1.585  -0.110  -0.954
   81    H    CYS  14           HN       CYS  14   1.768  -2.254  -3.554
   82    HA   CYS  14           HA       CYS  14   3.916  -1.671  -1.649
   83    HB2  CYS  14           HB2      CYS  14   4.103  -2.361  -4.592
   84    HB3  CYS  14           HB1      CYS  14   5.466  -1.973  -3.549
   85    H    ALA  15           HN       ALA  15   3.874   0.427  -1.243
   86    HA   ALA  15           HA       ALA  15   3.474   2.258  -3.485
   87    HB1  ALA  15           HB1      ALA  15   1.707   2.419  -1.780
   88    HB2  ALA  15           HB2      ALA  15   2.679   3.886  -1.845
   89    HB3  ALA  15           HB3      ALA  15   2.932   2.718  -0.545
   90    H    ASP  16           HN       ASP  16   4.719   4.333  -3.145
   91    HA   ASP  16           HA       ASP  16   7.428   3.553  -2.569
   92    HB2  ASP  16           HB2      ASP  16   6.308   6.097  -3.747
   93    HB3  ASP  16           HB1      ASP  16   8.016   5.858  -3.411
   94    H    PHE  17           HN       PHE  17   7.587   3.359  -0.442
   95    HA   PHE  17           HA       PHE  17   7.001   5.652   1.222
   96    HB2  PHE  17           HB2      PHE  17   7.870   2.832   1.828
   97    HB3  PHE  17           HB1      PHE  17   7.843   4.087   3.058
   98    HD1  PHE  17           HD1      PHE  17   5.867   1.809   1.054
   99    HD2  PHE  17           HD2      PHE  17   5.746   5.094   3.738
  100    HE1  PHE  17           HE1      PHE  17   3.487   1.370   1.474
  101    HE2  PHE  17           HE2      PHE  17   3.380   4.684   4.164
  102    HZ   PHE  17           HZ       PHE  17   2.231   2.810   3.037
  103    HA   PRO  18           HA       PRO  18  11.212   7.111   1.164
  104    HB2  PRO  18           HB2      PRO  18  11.324   8.190   3.645
  105    HB3  PRO  18           HB1      PRO  18  10.479   8.984   2.313
  106    HG2  PRO  18           HG2      PRO  18   9.372   7.372   4.569
  107    HG3  PRO  18           HG1      PRO  18   8.737   8.854   3.834
  108    HD2  PRO  18           HD2      PRO  18   7.753   6.394   3.291
  109    HD3  PRO  18           HD1      PRO  18   7.732   7.693   2.092
  110    H    TRP  19           HN       TRP  19  13.131   6.545   1.829
  111    HA   TRP  19           HA       TRP  19  13.516   4.044   2.990
  112    HB2  TRP  19           HB2      TRP  19  15.411   4.486   1.827
  113    HB3  TRP  19           HB1      TRP  19  15.101   6.208   1.848
  114    HD1  TRP  19           HD1      TRP  19  16.071   7.533   3.919
  115    HE1  TRP  19           HE1      TRP  19  18.212   7.119   5.340
  116    HE3  TRP  19          3HE       TRP  19  16.870   2.684   2.687
  117    HZ2  TRP  19           HZ2      TRP  19  19.972   4.975   5.823
  118    HZ3  TRP  19           HZ3      TRP  19  18.806   1.505   3.642
  119    HH2  TRP  19          2HH       TRP  19  20.323   2.629   5.179
  120    HA   PRO  20           HA       PRO  20  15.039   3.031   4.201
  121    HB2  PRO  20           HB2      PRO  20  15.409   1.500   6.349
  122    HB3  PRO  20           HB1      PRO  20  16.440   2.899   6.025
  123    HG2  PRO  20           HG2      PRO  20  14.262   2.575   8.008
  124    HG3  PRO  20           HG1      PRO  20  15.737   3.554   8.096
  125    HD2  PRO  20           HD2      PRO  20  13.118   4.443   7.411
  126    HD3  PRO  20           HD1      PRO  20  14.622   5.379   7.318
  127    H    LEU  21           HN       LEU  21  12.048   3.530   4.865
  128    HA   LEU  21           HA       LEU  21  10.938   0.949   5.350
  129    HB2  LEU  21           HB2      LEU  21   9.959   3.422   4.056
  130    HB3  LEU  21           HB1      LEU  21   8.876   2.062   4.378
  131    HG   LEU  21           HG       LEU  21  10.300   3.795   6.425
  132   HD11  LEU  21          HD11      LEU  21   7.402   3.619   5.624
  133   HD12  LEU  21          HD12      LEU  21   8.497   4.965   5.294
  134   HD13  LEU  21          HD13      LEU  21   8.043   4.579   6.956
  135   HD21  LEU  21          HD21      LEU  21   8.296   1.577   6.786
  136   HD22  LEU  21          HD22      LEU  21   8.925   2.614   8.064
  137   HD23  LEU  21          HD23      LEU  21  10.005   1.499   7.221
  138    H    GLY  22           HN       GLY  22  10.924   3.003   2.456
  139    HA2  GLY  22           HA2      GLY  22  11.218   2.567   0.250
  140    HA3  GLY  22           HA1      GLY  22  12.082   1.111   0.725
  141    H    HIS  23           HN       HIS  23  11.219  -0.722   0.153
  142    HA   HIS  23           HA       HIS  23   8.547  -0.710  -0.970
  143    HB2  HIS  23           HB2      HIS  23  10.689  -2.862  -1.056
  144    HB3  HIS  23           HB1      HIS  23   9.125  -2.962  -1.849
  145    HD1  HIS  23           HD1      HIS  23   9.075  -2.141  -4.238
  146    HD2  HIS  23           HD2      HIS  23  12.361  -0.717  -2.125
  147    HE1  HIS  23           HE1      HIS  23  10.520  -0.926  -5.912
  148    H    GLN  24           HN       GLN  24   7.703  -0.431   1.130
  149    HA   GLN  24           HA       GLN  24   7.837  -2.262   3.229
  150    HB2  GLN  24           HB2      GLN  24   5.633  -0.424   2.345
  151    HB3  GLN  24           HB1      GLN  24   5.487  -1.397   3.796
  152    HG2  GLN  24           HG2      GLN  24   7.647   0.617   3.255
  153    HG3  GLN  24           HG1      GLN  24   6.220   0.891   4.256
  154   HE21  GLN  24          1HE2      GLN  24   6.060  -0.162   6.230
  155   HE22  GLN  24          2HE2      GLN  24   7.440  -0.852   7.007
  156    H    CYS  25           HN       CYS  25   5.428  -2.056   0.690
  157    HA   CYS  25           HA       CYS  25   3.937  -3.451  -0.164
  158    HB2  CYS  25           HB2      CYS  25   6.160  -5.428   0.281
  159    HB3  CYS  25           HB1      CYS  25   4.716  -5.756  -0.675
  160    H    PHE  26           HN       PHE  26   2.254  -3.448   0.997
  161    HA   PHE  26           HA       PHE  26   2.064  -4.867   3.468
  162    HB2  PHE  26           HB2      PHE  26  -0.064  -3.527   1.793
  163    HB3  PHE  26           HB1      PHE  26  -0.320  -4.199   3.400
  164    HD1  PHE  26           HD1      PHE  26   0.767  -1.359   1.520
  165    HD2  PHE  26           HD2      PHE  26   0.985  -3.266   5.301
  166    HE1  PHE  26           HE1      PHE  26   1.490   0.752   2.523
  167    HE2  PHE  26           HE2      PHE  26   1.716  -1.142   6.332
  168    HZ   PHE  26           HZ       PHE  26   1.968   0.869   4.929
  169    HA   PRO  27           HA       PRO  27   1.119  -8.948   1.942
  170    HB2  PRO  27           HB2      PRO  27  -0.655  -8.723   4.340
  171    HB3  PRO  27           HB1      PRO  27   0.370 -10.091   3.850
  172    HG2  PRO  27           HG2      PRO  27   1.166  -8.498   5.765
  173    HG3  PRO  27           HG1      PRO  27   2.322  -8.965   4.501
  174    HD2  PRO  27           HD2      PRO  27   0.887  -6.380   4.892
  175    HD3  PRO  27           HD1      PRO  27   2.525  -6.692   4.287
  176    H    ASP  28           HN       ASP  28  -1.607  -7.150   3.361
  177    HA   ASP  28           HA       ASP  28  -3.225  -8.069   1.109
  178    HB2  ASP  28           HB2      ASP  28  -4.004  -8.696   3.455
  179    HB3  ASP  28           HB1      ASP  28  -4.263  -6.979   3.747
  Start of MODEL   18
    1    H1   GLY   1           HN       GLY   1  -4.885  -5.852   0.156
    2    HA2  GLY   1           HA2      GLY   1  -3.701  -3.475  -0.850
    3    HA3  GLY   1           HA1      GLY   1  -5.054  -4.332  -1.575
    4    H    PHE   2           HN       PHE   2  -4.205  -1.485  -0.494
    5    HA   PHE   2           HA       PHE   2  -6.183  -0.741   1.353
    6    HB2  PHE   2           HB2      PHE   2  -5.493   1.581   0.940
    7    HB3  PHE   2           HB1      PHE   2  -4.127   0.512   1.192
    8    HD1  PHE   2           HD1      PHE   2  -2.919  -0.330  -0.984
    9    HD2  PHE   2           HD2      PHE   2  -5.537   3.026  -0.845
   10    HE1  PHE   2           HE1      PHE   2  -1.893   0.550  -3.015
   11    HE2  PHE   2           HE2      PHE   2  -4.506   3.907  -2.883
   12    HZ   PHE   2           HZ       PHE   2  -2.680   2.673  -3.978
   13    H    CYS   3           HN       CYS   3  -7.926   0.743   1.157
   14    HA   CYS   3           HA       CYS   3  -9.273   0.775  -1.462
   15    HB2  CYS   3           HB2      CYS   3 -10.632   0.270   1.196
   16    HB3  CYS   3           HB1      CYS   3 -11.372   0.231  -0.395
   17    H    TRP   4           HN       TRP   4 -10.494   2.650  -1.817
   18    HA   TRP   4           HA       TRP   4 -10.105   4.750   0.207
   19    HB2  TRP   4           HB2      TRP   4 -10.930   5.138  -2.686
   20    HB3  TRP   4           HB1      TRP   4 -10.530   6.401  -1.531
   21    HD1  TRP   4           HD1      TRP   4  -7.826   6.385  -0.744
   22    HE1  TRP   4           HE1      TRP   4  -5.774   5.895  -2.221
   23    HE3  TRP   4          3HE       TRP   4 -10.146   3.895  -4.527
   24    HZ2  TRP   4           HZ2      TRP   4  -5.229   4.623  -4.690
   25    HZ3  TRP   4           HZ3      TRP   4  -8.801   3.075  -6.404
   26    HH2  TRP   4          2HH       TRP   4  -6.398   3.429  -6.477
   27    H    HIS   5           HN       HIS   5 -12.583   4.541  -2.304
   28    HA   HIS   5           HA       HIS   5 -14.625   4.416  -0.213
   29    HB2  HIS   5           HB2      HIS   5 -14.759   5.990  -2.817
   30    HB3  HIS   5           HB1      HIS   5 -16.074   5.826  -1.667
   31    HD1  HIS   5           HD1      HIS   5 -16.127   7.539   0.251
   32    HD2  HIS   5           HD2      HIS   5 -12.568   7.581  -1.895
   33    HE1  HIS   5           HE1      HIS   5 -14.856   9.562   1.036
   34    H    HIS   6           HN       HIS   6 -14.642   2.201  -0.474
   35    HA   HIS   6           HA       HIS   6 -15.416   0.230  -1.168
   36    HB2  HIS   6           HB2      HIS   6 -17.488   1.325  -1.951
   37    HB3  HIS   6           HB1      HIS   6 -16.713   1.734  -3.476
   38    HD1  HIS   6           HD1      HIS   6 -16.702  -0.090  -5.296
   39    HD2  HIS   6           HD2      HIS   6 -18.114  -1.426  -1.626
   40    HE1  HIS   6           HE1      HIS   6 -17.692  -2.363  -5.714
   41    H    SER   7           HN       SER   7 -14.047   2.194  -3.689
   42    HA   SER   7           HA       SER   7 -13.012   0.215  -5.338
   43    HB2  SER   7           HB2      SER   7 -11.883   2.927  -4.762
   44    HB3  SER   7           HB1      SER   7 -11.696   2.004  -6.256
   45    HG   SER   7           HG       SER   7 -13.339   3.683  -6.281
   46    H    CYS   8           HN       CYS   8 -11.762  -1.314  -4.624
   47    HA   CYS   8           HA       CYS   8  -9.605  -0.711  -2.754
   48    HB2  CYS   8           HB2      CYS   8 -10.952  -3.317  -3.473
   49    HB3  CYS   8           HB1      CYS   8  -9.523  -3.192  -2.454
   50    H    VAL   9           HN       VAL   9  -7.558  -1.077  -3.342
   51    HA   VAL   9           HA       VAL   9  -7.087  -1.494  -6.152
   52    HB   VAL   9           HB       VAL   9  -5.068  -1.183  -3.896
   53   HG11  VAL   9          HG11      VAL   9  -3.541  -0.396  -5.623
   54   HG12  VAL   9          HG12      VAL   9  -4.780  -0.648  -6.852
   55   HG13  VAL   9          3HG1      VAL   9  -4.105  -2.028  -5.981
   56   HG21  VAL   9          HG21      VAL   9  -6.304   0.969  -5.603
   57   HG22  VAL   9          HG22      VAL   9  -4.983   1.196  -4.453
   58   HG23  VAL   9          HG23      VAL   9  -6.576   0.711  -3.879
   59    HA   PRO  10           HA       PRO  10  -6.890  -5.962  -6.032
   60    HB2  PRO  10           HB2      PRO  10  -4.390  -6.027  -7.419
   61    HB3  PRO  10           HB1      PRO  10  -5.988  -6.381  -8.069
   62    HG2  PRO  10           HG2      PRO  10  -4.412  -3.888  -8.227
   63    HG3  PRO  10           HG1      PRO  10  -5.722  -4.457  -9.270
   64    HD2  PRO  10           HD2      PRO  10  -6.044  -2.415  -7.585
   65    HD3  PRO  10           HD1      PRO  10  -7.362  -3.565  -7.896
   66    H    SER  11           HN       SER  11  -6.160  -7.359  -4.614
   67    HA   SER  11           HA       SER  11  -4.510  -6.770  -2.499
   68    HB2  SER  11           HB2      SER  11  -6.180  -8.598  -2.555
   69    HB3  SER  11           HB1      SER  11  -5.151  -9.501  -3.662
   70    HG   SER  11           HG       SER  11  -4.019 -10.138  -2.045
   71    H    GLY  12           HN       GLY  12  -2.412  -6.611  -2.293
   72    HA2  GLY  12           HA2      GLY  12  -0.189  -7.539  -2.641
   73    HA3  GLY  12           HA1      GLY  12  -0.649  -7.806  -4.324
   74    H    THR  13           HN       THR  13  -0.916  -5.120  -2.066
   75    HA   THR  13           HA       THR  13  -0.030  -3.329  -4.187
   76    HB   THR  13           HB       THR  13  -0.924  -1.557  -2.616
   77    HG1  THR  13           HG1      THR  13  -0.939  -3.428  -0.903
   78   HG21  THR  13          HG21      THR  13  -2.831  -3.683  -3.583
   79   HG22  THR  13          HG22      THR  13  -2.195  -2.345  -4.544
   80   HG23  THR  13          HG23      THR  13  -3.260  -2.023  -3.175
   81    H    CYS  14           HN       CYS  14   1.804  -2.150  -3.983
   82    HA   CYS  14           HA       CYS  14   2.977  -2.002  -1.369
   83    HB2  CYS  14           HB2      CYS  14   4.072  -3.900  -2.531
   84    HB3  CYS  14           HB1      CYS  14   4.593  -2.791  -3.797
   85    H    ALA  15           HN       ALA  15   4.363  -0.212  -1.068
   86    HA   ALA  15           HA       ALA  15   4.323   1.802  -3.159
   87    HB1  ALA  15           HB1      ALA  15   2.445   2.276  -1.669
   88    HB2  ALA  15           HB2      ALA  15   3.706   3.494  -1.501
   89    HB3  ALA  15           HB3      ALA  15   3.526   2.236  -0.275
   90    H    ASP  16           HN       ASP  16   5.988   3.346  -2.838
   91    HA   ASP  16           HA       ASP  16   8.286   2.169  -1.491
   92    HB2  ASP  16           HB2      ASP  16   9.664   3.781  -2.742
   93    HB3  ASP  16           HB1      ASP  16   8.635   2.862  -3.829
   94    H    PHE  17           HN       PHE  17   9.188   2.978   0.239
   95    HA   PHE  17           HA       PHE  17   8.168   5.507   1.306
   96    HB2  PHE  17           HB2      PHE  17   8.894   2.916   2.665
   97    HB3  PHE  17           HB1      PHE  17   8.739   4.421   3.556
   98    HD1  PHE  17           HD1      PHE  17   6.635   5.399   3.945
   99    HD2  PHE  17           HD2      PHE  17   6.964   1.839   1.669
  100    HE1  PHE  17           HE1      PHE  17   4.246   5.079   4.146
  101    HE2  PHE  17           HE2      PHE  17   4.545   1.476   1.859
  102    HZ   PHE  17           HZ       PHE  17   3.162   3.094   3.094
  103    HA   PRO  18           HA       PRO  18  12.411   6.923   1.502
  104    HB2  PRO  18           HB2      PRO  18  12.478   7.995   4.021
  105    HB3  PRO  18           HB1      PRO  18  11.810   8.838   2.624
  106    HG2  PRO  18           HG2      PRO  18  10.405   7.404   4.825
  107    HG3  PRO  18           HG1      PRO  18   9.930   8.871   3.957
  108    HD2  PRO  18           HD2      PRO  18   8.840   6.447   3.499
  109    HD3  PRO  18           HD1      PRO  18   8.960   7.659   2.229
  110    H    TRP  19           HN       TRP  19  14.323   6.357   2.221
  111    HA   TRP  19           HA       TRP  19  14.660   3.855   3.364
  112    HB2  TRP  19           HB2      TRP  19  16.603   4.362   2.289
  113    HB3  TRP  19           HB1      TRP  19  16.286   6.084   2.394
  114    HD1  TRP  19           HD1      TRP  19  17.217   7.343   4.407
  115    HE1  TRP  19           HE1      TRP  19  19.202   6.828   6.076
  116    HE3  TRP  19          3HE       TRP  19  17.848   2.432   3.363
  117    HZ2  TRP  19           HZ2      TRP  19  20.735   4.603   6.773
  118    HZ3  TRP  19           HZ3      TRP  19  19.585   1.161   4.548
  119    HH2  TRP  19          2HH       TRP  19  21.001   2.233   6.219
  120    HA   PRO  20           HA       PRO  20  15.924   2.738   4.659
  121    HB2  PRO  20           HB2      PRO  20  15.985   1.261   6.975
  122    HB3  PRO  20           HB1      PRO  20  17.271   2.342   6.438
  123    HG2  PRO  20           HG2      PRO  20  15.512   2.642   8.694
  124    HG3  PRO  20           HG1      PRO  20  16.845   3.698   8.200
  125    HD2  PRO  20           HD2      PRO  20  13.941   3.959   7.739
  126    HD3  PRO  20           HD1      PRO  20  15.198   5.216   7.737
  127    H    LEU  21           HN       LEU  21  12.975   3.416   5.071
  128    HA   LEU  21           HA       LEU  21  11.688   0.979   5.824
  129    HB2  LEU  21           HB2      LEU  21  10.881   3.435   4.398
  130    HB3  LEU  21           HB1      LEU  21   9.699   2.206   4.876
  131    HG   LEU  21           HG       LEU  21  11.415   3.866   6.751
  132   HD11  LEU  21          HD11      LEU  21   9.345   5.040   7.279
  133   HD12  LEU  21          HD12      LEU  21   8.497   4.105   6.041
  134   HD13  LEU  21          HD13      LEU  21   9.777   5.231   5.579
  135   HD21  LEU  21          HD21      LEU  21   9.098   2.027   7.272
  136   HD22  LEU  21          HD22      LEU  21   9.918   3.012   8.484
  137   HD23  LEU  21          HD23      LEU  21  10.783   1.694   7.683
  138    H    GLY  22           HN       GLY  22  11.920   2.800   2.765
  139    HA2  GLY  22           HA2      GLY  22  12.092   2.072   0.591
  140    HA3  GLY  22           HA1      GLY  22  12.591   0.505   1.220
  141    H    HIS  23           HN       HIS  23  11.299  -0.975   0.277
  142    HA   HIS  23           HA       HIS  23   8.537  -0.291  -0.247
  143    HB2  HIS  23           HB2      HIS  23   9.977  -2.910  -0.750
  144    HB3  HIS  23           HB1      HIS  23   8.346  -2.532  -1.265
  145    HD1  HIS  23           HD1      HIS  23  11.694  -2.606  -2.478
  146    HD2  HIS  23           HD2      HIS  23   8.381  -0.200  -3.153
  147    HE1  HIS  23           HE1      HIS  23  12.090  -1.481  -4.707
  148    H    GLN  24           HN       GLN  24   7.793  -0.037   1.839
  149    HA   GLN  24           HA       GLN  24   7.837  -2.166   3.762
  150    HB2  GLN  24           HB2      GLN  24   6.024   0.246   3.565
  151    HB3  GLN  24           HB1      GLN  24   6.034  -0.865   4.925
  152    HG2  GLN  24           HG2      GLN  24   8.358   0.798   4.004
  153    HG3  GLN  24           HG1      GLN  24   7.309   1.173   5.373
  154   HE21  GLN  24          1HE2      GLN  24   7.515  -0.039   7.262
  155   HE22  GLN  24          2HE2      GLN  24   8.877  -1.074   7.507
  156    H    CYS  25           HN       CYS  25   5.710  -1.082   1.301
  157    HA   CYS  25           HA       CYS  25   3.999  -1.944   0.199
  158    HB2  CYS  25           HB2      CYS  25   4.795  -4.574   1.460
  159    HB3  CYS  25           HB1      CYS  25   3.747  -4.389   0.052
  160    H    PHE  26           HN       PHE  26   1.890  -3.558   0.663
  161    HA   PHE  26           HA       PHE  26   0.984  -2.798   3.322
  162    HB2  PHE  26           HB2      PHE  26  -0.595  -2.722   0.747
  163    HB3  PHE  26           HB1      PHE  26  -1.273  -2.476   2.352
  164    HD1  PHE  26           HD1      PHE  26   0.249  -0.938  -0.453
  165    HD2  PHE  26           HD2      PHE  26  -0.307  -0.587   3.738
  166    HE1  PHE  26           HE1      PHE  26   0.817   1.443  -0.592
  167    HE2  PHE  26           HE2      PHE  26   0.260   1.810   3.618
  168    HZ   PHE  26           HZ       PHE  26   0.823   2.828   1.445
  169    HA   PRO  27           HA       PRO  27   0.316  -7.194   3.946
  170    HB2  PRO  27           HB2      PRO  27  -1.738  -5.817   5.631
  171    HB3  PRO  27           HB1      PRO  27  -0.738  -7.224   6.053
  172    HG2  PRO  27           HG2      PRO  27  -0.060  -4.880   6.976
  173    HG3  PRO  27           HG1      PRO  27   1.195  -5.897   6.244
  174    HD2  PRO  27           HD2      PRO  27  -0.159  -3.481   5.139
  175    HD3  PRO  27           HD1      PRO  27   1.517  -4.032   4.953
  176    H    ASP  28           HN       ASP  28  -2.394  -4.917   3.613
  177    HA   ASP  28           HA       ASP  28  -3.681  -6.808   1.807
  178    HB2  ASP  28           HB2      ASP  28  -5.908  -6.266   2.678
  179    HB3  ASP  28           HB1      ASP  28  -4.912  -6.898   3.978
  Start of MODEL   19
    1    H1   GLY   1           HN       GLY   1  -5.320  -5.700   1.465
    2    HA2  GLY   1           HA2      GLY   1  -4.241  -3.694  -0.266
    3    HA3  GLY   1           HA1      GLY   1  -5.871  -4.346  -0.310
    4    H    PHE   2           HN       PHE   2  -6.080  -1.917  -0.822
    5    HA   PHE   2           HA       PHE   2  -6.913  -0.682   1.652
    6    HB2  PHE   2           HB2      PHE   2  -5.911   1.504   1.059
    7    HB3  PHE   2           HB1      PHE   2  -4.716   0.270   1.412
    8    HD1  PHE   2           HD1      PHE   2  -6.034   2.582  -1.069
    9    HD2  PHE   2           HD2      PHE   2  -3.354  -0.676  -0.457
   10    HE1  PHE   2           HE1      PHE   2  -4.867   3.149  -3.137
   11    HE2  PHE   2           HE2      PHE   2  -2.197  -0.108  -2.529
   12    HZ   PHE   2           HZ       PHE   2  -2.945   1.807  -3.876
   13    H    CYS   3           HN       CYS   3  -8.682   0.490   1.518
   14    HA   CYS   3           HA       CYS   3  -9.931   0.789  -1.127
   15    HB2  CYS   3           HB2      CYS   3 -11.160   0.556   1.620
   16    HB3  CYS   3           HB1      CYS   3 -12.057   0.878   0.142
   17    H    TRP   4           HN       TRP   4 -10.406   2.812  -1.800
   18    HA   TRP   4           HA       TRP   4  -9.919   4.998   0.068
   19    HB2  TRP   4           HB2      TRP   4 -10.780   5.094  -2.843
   20    HB3  TRP   4           HB1      TRP   4 -10.400   6.499  -1.856
   21    HD1  TRP   4           HD1      TRP   4  -7.681   5.834  -0.614
   22    HE1  TRP   4           HE1      TRP   4  -5.588   5.472  -2.054
   23    HE3  TRP   4          3HE       TRP   4  -9.948   4.706  -5.037
   24    HZ2  TRP   4           HZ2      TRP   4  -4.977   4.810  -4.734
   25    HZ3  TRP   4           HZ3      TRP   4  -8.543   4.227  -6.995
   26    HH2  TRP   4          2HH       TRP   4  -6.114   4.282  -6.846
   27    H    HIS   5           HN       HIS   5 -12.547   4.458  -2.238
   28    HA   HIS   5           HA       HIS   5 -14.404   4.887  -0.007
   29    HB2  HIS   5           HB2      HIS   5 -14.908   5.766  -2.885
   30    HB3  HIS   5           HB1      HIS   5 -15.928   6.047  -1.490
   31    HD1  HIS   5           HD1      HIS   5 -14.091   8.072  -3.533
   32    HD2  HIS   5           HD2      HIS   5 -13.872   7.352   0.538
   33    HE1  HIS   5           HE1      HIS   5 -12.970  10.081  -2.547
   34    H    HIS   6           HN       HIS   6 -14.656   3.960  -3.392
   35    HA   HIS   6           HA       HIS   6 -15.958   1.444  -2.591
   36    HB2  HIS   6           HB2      HIS   6 -17.404   2.947  -3.918
   37    HB3  HIS   6           HB1      HIS   6 -16.173   3.043  -5.161
   38    HD1  HIS   6           HD1      HIS   6 -16.416   1.425  -7.047
   39    HD2  HIS   6           HD2      HIS   6 -18.562   0.273  -3.692
   40    HE1  HIS   6           HE1      HIS   6 -17.758  -0.594  -7.744
   41    H    SER   7           HN       SER   7 -13.517   2.958  -4.619
   42    HA   SER   7           HA       SER   7 -12.656   0.601  -5.899
   43    HB2  SER   7           HB2      SER   7 -11.186   3.198  -5.457
   44    HB3  SER   7           HB1      SER   7 -10.856   1.994  -6.706
   45    HG   SER   7           HG       SER   7 -13.115   2.409  -7.352
   46    H    CYS   8           HN       CYS   8 -11.556  -0.965  -4.985
   47    HA   CYS   8           HA       CYS   8  -9.779  -0.335  -2.762
   48    HB2  CYS   8           HB2      CYS   8 -11.344  -2.868  -3.261
   49    HB3  CYS   8           HB1      CYS   8 -10.183  -2.622  -1.962
   50    H    VAL   9           HN       VAL   9  -7.780  -0.873  -3.023
   51    HA   VAL   9           HA       VAL   9  -7.046  -2.235  -5.486
   52    HB   VAL   9           HB       VAL   9  -5.255  -0.795  -3.499
   53   HG11  VAL   9          HG11      VAL   9  -4.077  -2.297  -4.986
   54   HG12  VAL   9          HG12      VAL   9  -3.700  -0.617  -5.366
   55   HG13  VAL   9          3HG1      VAL   9  -4.819  -1.522  -6.386
   56   HG21  VAL   9          HG21      VAL   9  -6.587   0.350  -5.960
   57   HG22  VAL   9          HG22      VAL   9  -5.324   1.143  -5.014
   58   HG23  VAL   9          HG23      VAL   9  -6.881   0.808  -4.275
   59    HA   PRO  10           HA       PRO  10  -6.728  -5.917  -3.016
   60    HB2  PRO  10           HB2      PRO  10  -5.148  -7.379  -4.692
   61    HB3  PRO  10           HB1      PRO  10  -6.893  -7.173  -4.909
   62    HG2  PRO  10           HG2      PRO  10  -4.627  -5.732  -6.230
   63    HG3  PRO  10           HG1      PRO  10  -6.138  -6.324  -6.941
   64    HD2  PRO  10           HD2      PRO  10  -5.781  -3.743  -6.340
   65    HD3  PRO  10           HD1      PRO  10  -7.363  -4.527  -6.139
   66    H    SER  11           HN       SER  11  -5.219  -7.341  -2.017
   67    HA   SER  11           HA       SER  11  -2.910  -6.126  -0.956
   68    HB2  SER  11           HB2      SER  11  -3.721  -9.038  -0.965
   69    HB3  SER  11           HB1      SER  11  -2.650  -8.237   0.188
   70    HG   SER  11           HG       SER  11  -4.502  -8.215   1.211
   71    H    GLY  12           HN       GLY  12  -0.743  -6.575  -1.455
   72    HA2  GLY  12           HA2      GLY  12   0.887  -7.931  -2.676
   73    HA3  GLY  12           HA1      GLY  12  -0.313  -8.088  -3.957
   74    H    THR  13           HN       THR  13  -1.081  -5.267  -3.446
   75    HA   THR  13           HA       THR  13   0.364  -3.891  -5.392
   76    HB   THR  13           HB       THR  13  -1.166  -2.793  -3.014
   77    HG1  THR  13           HG1      THR  13  -2.746  -3.830  -3.978
   78   HG21  THR  13          HG21      THR  13  -0.675  -1.588  -5.753
   79   HG22  THR  13          HG22      THR  13   0.119  -1.072  -4.267
   80   HG23  THR  13          HG23      THR  13  -1.621  -0.862  -4.455
   81    H    CYS  14           HN       CYS  14   2.087  -2.298  -5.148
   82    HA   CYS  14           HA       CYS  14   3.341  -2.570  -2.569
   83    HB2  CYS  14           HB2      CYS  14   4.599  -3.694  -4.419
   84    HB3  CYS  14           HB1      CYS  14   4.863  -2.103  -5.124
   85    H    ALA  15           HN       ALA  15   4.885  -0.741  -2.057
   86    HA   ALA  15           HA       ALA  15   4.062   1.821  -2.999
   87    HB1  ALA  15           HB1      ALA  15   3.739   0.920  -0.127
   88    HB2  ALA  15           HB2      ALA  15   2.435   1.391  -1.216
   89    HB3  ALA  15           HB3      ALA  15   3.616   2.588  -0.685
   90    H    ASP  16           HN       ASP  16   5.732   3.209  -2.652
   91    HA   ASP  16           HA       ASP  16   8.192   1.937  -1.695
   92    HB2  ASP  16           HB2      ASP  16   7.864   4.192  -3.681
   93    HB3  ASP  16           HB1      ASP  16   9.384   3.454  -3.189
   94    H    PHE  17           HN       PHE  17   8.551   2.635   0.277
   95    HA   PHE  17           HA       PHE  17   7.903   5.398   0.912
   96    HB2  PHE  17           HB2      PHE  17   8.522   3.010   2.673
   97    HB3  PHE  17           HB1      PHE  17   8.207   4.625   3.287
   98    HD1  PHE  17           HD1      PHE  17   5.967   5.672   2.714
   99    HD2  PHE  17           HD2      PHE  17   6.781   1.523   2.303
  100    HE1  PHE  17           HE1      PHE  17   3.570   5.216   2.742
  101    HE2  PHE  17           HE2      PHE  17   4.369   1.042   2.330
  102    HZ   PHE  17           HZ       PHE  17   2.751   2.889   2.549
  103    HA   PRO  18           HA       PRO  18  12.251   6.217   1.076
  104    HB2  PRO  18           HB2      PRO  18  12.449   8.067   3.050
  105    HB3  PRO  18           HB1      PRO  18  11.740   8.440   1.477
  106    HG2  PRO  18           HG2      PRO  18  10.405   7.908   4.078
  107    HG3  PRO  18           HG1      PRO  18   9.937   9.017   2.781
  108    HD2  PRO  18           HD2      PRO  18   8.830   6.536   3.253
  109    HD3  PRO  18           HD1      PRO  18   8.714   7.392   1.715
  110    H    TRP  19           HN       TRP  19  14.150   6.149   2.605
  111    HA   TRP  19           HA       TRP  19  13.919   3.859   4.184
  112    HB2  TRP  19           HB2      TRP  19  16.154   5.679   3.511
  113    HB3  TRP  19           HB1      TRP  19  16.336   4.699   4.970
  114    HD1  TRP  19           HD1      TRP  19  15.562   4.217   1.221
  115    HE1  TRP  19           HE1      TRP  19  16.365   1.852   0.558
  116    HE3  TRP  19          3HE       TRP  19  17.089   2.543   5.795
  117    HZ2  TRP  19           HZ2      TRP  19  17.470  -0.376   1.803
  118    HZ3  TRP  19           HZ3      TRP  19  18.008   0.280   5.973
  119    HH2  TRP  19          2HH       TRP  19  18.201  -1.156   4.016
  120    HA   PRO  20           HA       PRO  20  15.056   2.881   5.657
  121    HB2  PRO  20           HB2      PRO  20  14.641   1.724   8.128
  122    HB3  PRO  20           HB1      PRO  20  16.068   2.668   7.698
  123    HG2  PRO  20           HG2      PRO  20  14.064   3.356   9.615
  124    HG3  PRO  20           HG1      PRO  20  15.427   4.348   9.084
  125    HD2  PRO  20           HD2      PRO  20  12.586   4.395   8.213
  126    HD3  PRO  20           HD1      PRO  20  13.765   5.721   8.277
  127    H    LEU  21           HN       LEU  21  12.035   3.707   5.864
  128    HA   LEU  21           HA       LEU  21  10.614   1.323   6.395
  129    HB2  LEU  21           HB2      LEU  21  10.117   3.690   4.696
  130    HB3  LEU  21           HB1      LEU  21   8.845   2.505   5.036
  131    HG   LEU  21           HG       LEU  21  10.242   4.290   7.051
  132   HD11  LEU  21          HD11      LEU  21   8.810   5.566   5.579
  133   HD12  LEU  21          HD12      LEU  21   8.073   5.441   7.180
  134   HD13  LEU  21          HD13      LEU  21   7.488   4.437   5.851
  135   HD21  LEU  21          HD21      LEU  21   8.509   3.518   8.603
  136   HD22  LEU  21          HD22      LEU  21   9.507   2.179   8.038
  137   HD23  LEU  21          HD23      LEU  21   7.893   2.425   7.365
  138    H    GLY  22           HN       GLY  22  11.422   2.952   3.359
  139    HA2  GLY  22           HA2      GLY  22  12.196   2.115   1.382
  140    HA3  GLY  22           HA1      GLY  22  12.419   0.571   2.186
  141    H    HIS  23           HN       HIS  23  11.618  -0.624   0.545
  142    HA   HIS  23           HA       HIS  23   8.996   0.030  -0.551
  143    HB2  HIS  23           HB2      HIS  23  10.703  -2.323  -1.391
  144    HB3  HIS  23           HB1      HIS  23   9.476  -1.481  -2.328
  145    HD1  HIS  23           HD1      HIS  23  10.286   0.723  -3.634
  146    HD2  HIS  23           HD2      HIS  23  13.197  -1.134  -1.302
  147    HE1  HIS  23           HE1      HIS  23  12.472   1.794  -4.235
  148    H    GLN  24           HN       GLN  24   7.868  -0.419   1.326
  149    HA   GLN  24           HA       GLN  24   7.943  -3.069   2.469
  150    HB2  GLN  24           HB2      GLN  24   6.381  -0.614   3.186
  151    HB3  GLN  24           HB1      GLN  24   6.138  -2.164   3.984
  152    HG2  GLN  24           HG2      GLN  24   8.728  -0.654   3.846
  153    HG3  GLN  24           HG1      GLN  24   7.644  -0.729   5.240
  154   HE21  GLN  24          1HE2      GLN  24  10.410  -1.633   4.832
  155   HE22  GLN  24          2HE2      GLN  24  10.420  -3.304   5.296
  156    H    CYS  25           HN       CYS  25   6.017  -1.397   0.213
  157    HA   CYS  25           HA       CYS  25   4.203  -1.953  -1.005
  158    HB2  CYS  25           HB2      CYS  25   4.841  -4.776  -0.140
  159    HB3  CYS  25           HB1      CYS  25   3.876  -4.335  -1.544
  160    H    PHE  26           HN       PHE  26   2.107  -3.786  -0.693
  161    HA   PHE  26           HA       PHE  26   1.056  -2.991   1.906
  162    HB2  PHE  26           HB2      PHE  26  -0.335  -3.237  -0.751
  163    HB3  PHE  26           HB1      PHE  26  -1.195  -3.131   0.778
  164    HD1  PHE  26           HD1      PHE  26   0.353  -1.322  -1.865
  165    HD2  PHE  26           HD2      PHE  26  -0.774  -1.114   2.219
  166    HE1  PHE  26           HE1      PHE  26   0.439   1.132  -1.978
  167    HE2  PHE  26           HE2      PHE  26  -0.695   1.347   2.126
  168    HZ   PHE  26           HZ       PHE  26  -0.086   2.474   0.022
  169    HA   PRO  27           HA       PRO  27   0.987  -7.513   2.627
  170    HB2  PRO  27           HB2      PRO  27  -0.217  -6.098   4.981
  171    HB3  PRO  27           HB1      PRO  27   0.845  -7.527   4.988
  172    HG2  PRO  27           HG2      PRO  27   1.863  -5.199   5.597
  173    HG3  PRO  27           HG1      PRO  27   2.730  -6.217   4.429
  174    HD2  PRO  27           HD2      PRO  27   1.045  -3.802   3.949
  175    HD3  PRO  27           HD1      PRO  27   2.544  -4.307   3.149
  176    H    ASP  28           HN       ASP  28  -1.474  -5.168   3.586
  177    HA   ASP  28           HA       ASP  28  -3.562  -6.888   2.459
  178    HB2  ASP  28           HB2      ASP  28  -5.149  -5.899   4.053
  179    HB3  ASP  28           HB1      ASP  28  -3.802  -6.609   4.929
  Start of MODEL   20
    1    H1   GLY   1           HN       GLY   1  -3.935  -4.294   1.829
    2    HA2  GLY   1           HA2      GLY   1  -2.464  -2.822   0.173
    3    HA3  GLY   1           HA1      GLY   1  -3.919  -3.119  -0.775
    4    H    PHE   2           HN       PHE   2  -5.016  -1.336  -0.741
    5    HA   PHE   2           HA       PHE   2  -5.952  -0.277   1.743
    6    HB2  PHE   2           HB2      PHE   2  -5.284   2.076   1.051
    7    HB3  PHE   2           HB1      PHE   2  -3.959   1.049   1.576
    8    HD1  PHE   2           HD1      PHE   2  -2.372   0.129  -0.098
    9    HD2  PHE   2           HD2      PHE   2  -5.370   2.955  -1.167
   10    HE1  PHE   2           HE1      PHE   2  -1.162   0.614  -2.175
   11    HE2  PHE   2           HE2      PHE   2  -4.162   3.438  -3.251
   12    HZ   PHE   2           HZ       PHE   2  -2.055   2.264  -3.756
   13    H    CYS   3           HN       CYS   3  -7.551   1.566   1.164
   14    HA   CYS   3           HA       CYS   3  -8.763   1.131  -1.440
   15    HB2  CYS   3           HB2      CYS   3  -9.771  -0.535   0.122
   16    HB3  CYS   3           HB1      CYS   3 -10.242   0.783   1.184
   17    H    TRP   4           HN       TRP   4  -9.467   3.034  -2.243
   18    HA   TRP   4           HA       TRP   4  -8.942   5.390  -0.690
   19    HB2  TRP   4           HB2      TRP   4 -10.083   5.105  -3.473
   20    HB3  TRP   4           HB1      TRP   4  -9.597   6.624  -2.731
   21    HD1  TRP   4           HD1      TRP   4  -6.855   6.621  -1.953
   22    HE1  TRP   4           HE1      TRP   4  -4.867   5.779  -3.345
   23    HE3  TRP   4          3HE       TRP   4  -9.353   3.582  -5.191
   24    HZ2  TRP   4           HZ2      TRP   4  -4.414   4.075  -5.528
   25    HZ3  TRP   4           HZ3      TRP   4  -8.067   2.381  -6.911
   26    HH2  TRP   4          2HH       TRP   4  -5.647   2.627  -7.072
   27    H    HIS   5           HN       HIS   5 -11.830   4.397  -2.473
   28    HA   HIS   5           HA       HIS   5 -13.419   5.451  -0.236
   29    HB2  HIS   5           HB2      HIS   5 -14.116   5.622  -3.196
   30    HB3  HIS   5           HB1      HIS   5 -15.214   6.065  -1.894
   31    HD1  HIS   5           HD1      HIS   5 -15.042   8.482  -1.115
   32    HD2  HIS   5           HD2      HIS   5 -11.838   7.287  -3.457
   33    HE1  HIS   5           HE1      HIS   5 -13.718  10.559  -1.587
   34    H    HIS   6           HN       HIS   6 -14.537   3.854  -3.143
   35    HA   HIS   6           HA       HIS   6 -15.049   1.425  -1.579
   36    HB2  HIS   6           HB2      HIS   6 -16.446   2.448  -4.070
   37    HB3  HIS   6           HB1      HIS   6 -16.806   0.935  -3.250
   38    HD1  HIS   6           HD1      HIS   6 -17.733   4.469  -3.299
   39    HD2  HIS   6           HD2      HIS   6 -17.866   1.328  -0.591
   40    HE1  HIS   6           HE1      HIS   6 -19.342   5.166  -1.507
   41    H    SER   7           HN       SER   7 -13.226   2.926  -3.932
   42    HA   SER   7           HA       SER   7 -12.614   0.717  -5.552
   43    HB2  SER   7           HB2      SER   7 -10.764   2.415  -6.145
   44    HB3  SER   7           HB1      SER   7 -12.451   2.778  -6.534
   45    HG   SER   7           HG       SER   7 -11.309   4.512  -5.503
   46    H    CYS   8           HN       CYS   8 -11.843  -0.878  -4.407
   47    HA   CYS   8           HA       CYS   8  -9.734  -0.327  -2.480
   48    HB2  CYS   8           HB2      CYS   8 -11.454  -2.782  -2.783
   49    HB3  CYS   8           HB1      CYS   8 -10.223  -2.531  -1.552
   50    H    VAL   9           HN       VAL   9  -7.762  -0.868  -2.887
   51    HA   VAL   9           HA       VAL   9  -7.056  -1.843  -5.450
   52    HB   VAL   9           HB       VAL   9  -5.295  -1.315  -3.027
   53   HG11  VAL   9          HG11      VAL   9  -4.622  -1.319  -5.961
   54   HG12  VAL   9          HG12      VAL   9  -4.120  -2.528  -4.773
   55   HG13  VAL   9          3HG1      VAL   9  -3.541  -0.862  -4.651
   56   HG21  VAL   9          HG21      VAL   9  -6.154   0.581  -5.199
   57   HG22  VAL   9          HG22      VAL   9  -4.961   0.925  -3.946
   58   HG23  VAL   9          HG23      VAL   9  -6.644   0.633  -3.507
   59    HA   PRO  10           HA       PRO  10  -7.063  -6.264  -4.718
   60    HB2  PRO  10           HB2      PRO  10  -4.789  -6.822  -6.196
   61    HB3  PRO  10           HB1      PRO  10  -6.435  -6.731  -6.847
   62    HG2  PRO  10           HG2      PRO  10  -4.280  -4.658  -6.804
   63    HG3  PRO  10           HG1      PRO  10  -5.427  -5.045  -8.101
   64    HD2  PRO  10           HD2      PRO  10  -5.803  -2.922  -6.618
   65    HD3  PRO  10           HD1      PRO  10  -7.190  -3.962  -7.005
   66    H    SER  11           HN       SER  11  -5.768  -7.995  -3.876
   67    HA   SER  11           HA       SER  11  -4.196  -7.200  -1.677
   68    HB2  SER  11           HB2      SER  11  -4.664  -9.956  -2.822
   69    HB3  SER  11           HB1      SER  11  -4.185  -9.554  -1.170
   70    HG   SER  11           HG       SER  11  -6.220  -8.315  -1.098
   71    H    GLY  12           HN       GLY  12  -2.030  -7.349  -1.426
   72    HA2  GLY  12           HA2      GLY  12   0.156  -8.114  -1.876
   73    HA3  GLY  12           HA1      GLY  12  -0.392  -8.660  -3.454
   74    H    THR  13           HN       THR  13  -1.179  -5.501  -2.326
   75    HA   THR  13           HA       THR  13   0.387  -4.361  -4.482
   76    HB   THR  13           HB       THR  13  -1.616  -3.088  -2.589
   77    HG1  THR  13           HG1      THR  13  -2.848  -4.321  -3.889
   78   HG21  THR  13          HG21      THR  13  -0.428  -2.026  -5.174
   79   HG22  THR  13          HG22      THR  13   0.004  -1.467  -3.563
   80   HG23  THR  13          HG23      THR  13  -1.627  -1.205  -4.172
   81    H    CYS  14           HN       CYS  14   2.053  -2.835  -4.160
   82    HA   CYS  14           HA       CYS  14   2.923  -2.635  -1.402
   83    HB2  CYS  14           HB2      CYS  14   4.409  -4.072  -2.775
   84    HB3  CYS  14           HB1      CYS  14   4.677  -2.722  -3.873
   85    H    ALA  15           HN       ALA  15   4.197  -0.637  -0.961
   86    HA   ALA  15           HA       ALA  15   3.518   1.565  -2.718
   87    HB1  ALA  15           HB1      ALA  15   1.849   1.573  -0.924
   88    HB2  ALA  15           HB2      ALA  15   2.943   2.947  -0.758
   89    HB3  ALA  15           HB3      ALA  15   3.134   1.535   0.283
   90    H    ASP  16           HN       ASP  16   5.016   3.176  -2.690
   91    HA   ASP  16           HA       ASP  16   7.669   2.351  -1.856
   92    HB2  ASP  16           HB2      ASP  16   7.363   3.065  -4.151
   93    HB3  ASP  16           HB1      ASP  16   6.700   4.602  -3.619
   94    H    PHE  17           HN       PHE  17   8.106   2.865   0.180
   95    HA   PHE  17           HA       PHE  17   7.272   5.452   1.215
   96    HB2  PHE  17           HB2      PHE  17   8.242   2.905   2.508
   97    HB3  PHE  17           HB1      PHE  17   8.145   4.405   3.412
   98    HD1  PHE  17           HD1      PHE  17   6.044   5.336   4.022
   99    HD2  PHE  17           HD2      PHE  17   6.232   1.757   1.754
  100    HE1  PHE  17           HE1      PHE  17   3.688   4.936   4.494
  101    HE2  PHE  17           HE2      PHE  17   3.855   1.326   2.226
  102    HZ   PHE  17           HZ       PHE  17   2.570   2.919   3.598
  103    HA   PRO  18           HA       PRO  18  11.396   7.096   1.026
  104    HB2  PRO  18           HB2      PRO  18  11.648   8.371   3.416
  105    HB3  PRO  18           HB1      PRO  18  10.648   8.998   2.100
  106    HG2  PRO  18           HG2      PRO  18   9.824   7.426   4.510
  107    HG3  PRO  18           HG1      PRO  18   9.074   8.874   3.818
  108    HD2  PRO  18           HD2      PRO  18   8.085   6.433   3.367
  109    HD3  PRO  18           HD1      PRO  18   8.049   7.671   2.105
  110    H    TRP  19           HN       TRP  19  13.522   7.055   2.179
  111    HA   TRP  19           HA       TRP  19  13.860   4.447   3.287
  112    HB2  TRP  19           HB2      TRP  19  15.696   6.490   2.187
  113    HB3  TRP  19           HB1      TRP  19  16.366   5.375   3.384
  114    HD1  TRP  19           HD1      TRP  19  14.495   5.248  -0.006
  115    HE1  TRP  19           HE1      TRP  19  15.123   3.027  -1.146
  116    HE3  TRP  19          3HE       TRP  19  17.389   3.218   3.687
  117    HZ2  TRP  19           HZ2      TRP  19  16.626   0.746  -0.548
  118    HZ3  TRP  19           HZ3      TRP  19  18.390   1.009   3.319
  119    HH2  TRP  19          2HH       TRP  19  18.023  -0.205   1.238
  120    HA   PRO  20           HA       PRO  20  15.392   3.356   4.260
  121    HB2  PRO  20           HB2      PRO  20  16.058   1.966   6.398
  122    HB3  PRO  20           HB1      PRO  20  17.002   3.397   5.961
  123    HG2  PRO  20           HG2      PRO  20  15.011   3.047   8.150
  124    HG3  PRO  20           HG1      PRO  20  16.459   4.066   8.104
  125    HD2  PRO  20           HD2      PRO  20  13.758   4.846   7.599
  126    HD3  PRO  20           HD1      PRO  20  15.211   5.843   7.418
  127    H    LEU  21           HN       LEU  21  12.503   3.938   5.226
  128    HA   LEU  21           HA       LEU  21  11.395   1.465   6.044
  129    HB2  LEU  21           HB2      LEU  21  10.341   3.768   4.485
  130    HB3  LEU  21           HB1      LEU  21   9.289   2.461   5.032
  131    HG   LEU  21           HG       LEU  21  10.844   4.340   6.841
  132   HD11  LEU  21          HD11      LEU  21   8.678   5.361   7.303
  133   HD12  LEU  21          HD12      LEU  21   7.923   4.309   6.101
  134   HD13  LEU  21          HD13      LEU  21   9.110   5.518   5.600
  135   HD21  LEU  21          HD21      LEU  21   9.407   3.430   8.598
  136   HD22  LEU  21          HD22      LEU  21  10.384   2.164   7.853
  137   HD23  LEU  21          HD23      LEU  21   8.677   2.328   7.430
  138    H    GLY  22           HN       GLY  22  11.615   3.069   2.902
  139    HA2  GLY  22           HA2      GLY  22  11.883   2.269   0.784
  140    HA3  GLY  22           HA1      GLY  22  12.396   0.746   1.494
  141    H    HIS  23           HN       HIS  23  11.249  -0.818   0.634
  142    HA   HIS  23           HA       HIS  23   8.502  -0.313  -0.089
  143    HB2  HIS  23           HB2      HIS  23  10.222  -2.762  -0.531
  144    HB3  HIS  23           HB1      HIS  23   8.571  -2.571  -1.103
  145    HD1  HIS  23           HD1      HIS  23  11.988  -2.146  -2.220
  146    HD2  HIS  23           HD2      HIS  23   8.359  -0.248  -2.923
  147    HE1  HIS  23           HE1      HIS  23  12.270  -0.879  -4.355
  148    H    GLN  24           HN       GLN  24   7.668  -0.086   1.917
  149    HA   GLN  24           HA       GLN  24   7.725  -2.157   3.895
  150    HB2  GLN  24           HB2      GLN  24   5.762   0.105   3.483
  151    HB3  GLN  24           HB1      GLN  24   5.704  -0.992   4.851
  152    HG2  GLN  24           HG2      GLN  24   8.042   0.779   4.181
  153    HG3  GLN  24           HG1      GLN  24   6.778   1.184   5.343
  154   HE21  GLN  24          1HE2      GLN  24   6.666   0.035   7.245
  155   HE22  GLN  24          2HE2      GLN  24   7.966  -0.901   7.866
  156    H    CYS  25           HN       CYS  25   5.577  -1.303   1.299
  157    HA   CYS  25           HA       CYS  25   3.985  -2.347   0.148
  158    HB2  CYS  25           HB2      CYS  25   5.195  -4.875   1.282
  159    HB3  CYS  25           HB1      CYS  25   4.103  -4.804  -0.098
  160    H    PHE  26           HN       PHE  26   2.061  -4.159   0.396
  161    HA   PHE  26           HA       PHE  26   1.107  -4.141   3.135
  162    HB2  PHE  26           HB2      PHE  26  -0.413  -3.250   0.680
  163    HB3  PHE  26           HB1      PHE  26  -1.207  -3.698   2.183
  164    HD1  PHE  26           HD1      PHE  26  -0.721  -2.362   4.228
  165    HD2  PHE  26           HD2      PHE  26   0.465  -1.103   0.349
  166    HE1  PHE  26           HE1      PHE  26  -0.489  -0.046   5.057
  167    HE2  PHE  26           HE2      PHE  26   0.706   1.210   1.160
  168    HZ   PHE  26           HZ       PHE  26   0.228   1.740   3.518
  169    HA   PRO  27           HA       PRO  27   0.241  -8.464   2.176
  170    HB2  PRO  27           HB2      PRO  27  -2.035  -7.976   4.043
  171    HB3  PRO  27           HB1      PRO  27  -0.817  -9.266   4.091
  172    HG2  PRO  27           HG2      PRO  27  -0.681  -7.283   5.812
  173    HG3  PRO  27           HG1      PRO  27   0.797  -7.845   5.009
  174    HD2  PRO  27           HD2      PRO  27  -0.868  -5.425   4.419
  175    HD3  PRO  27           HD1      PRO  27   0.900  -5.591   4.488
  176    H    ASP  28           HN       ASP  28  -2.538  -6.320   2.686
  177    HA   ASP  28           HA       ASP  28  -3.789  -7.505   0.341
  178    HB2  ASP  28           HB2      ASP  28  -5.221  -7.524   2.340
  179    HB3  ASP  28           HB1      ASP  28  -5.009  -5.791   2.534