*HEADER    PLANT PROTEIN, HYDROLASE                27-FEB-19   6O3S              
*TITLE     NMR SOLUTION STRUCTURE OF VICILIN-BURIED PEPTIDE-8 (VBP-8)            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RIBOSOME-INACTIVATING PROTEIN LUFFIN P1;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ARGININE/GLUTAMATE-RICH POLYPEPTIDE,AGRP;                   
*COMPND   5 EC: 3.2.2.22;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LUFFA AEGYPTIACA;                               
*SOURCE   4 ORGANISM_COMMON: SPONGE GOURD;                                       
*SOURCE   5 ORGANISM_TAXID: 3670                                                 
*KEYWDS    SEED PEPTIDE, PLANT PROTEIN, HYDROLASE                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.J.ROSENGREN,C.PAYNE                                                 
*REVDAT   1   24-APR-19 6O3S    0                                                
# Restraints file 1: Luffin_P1_47_restraints.tbl
Interproton Distances from Cyana 3.98.5
assign (resid   7 and name   HN)   (resid   7 and name   HB)   2.740    0.940    0.940  
assign (resid   7 and name   HN)   (resid   7 and name HG2#)   2.635    0.835    0.835  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   3.175    1.375    1.375  
assign (resid   6 and name   HA)   (resid   6 and name  HD#)   3.195    1.395    1.395  
assign (resid  36 and name   HA)   (resid  36 and name  HD1)   3.400    1.600    1.600  
assign (resid   6 and name   HA)   (resid   6 and name  HG#)   2.945    1.145    1.145  
assign (resid   6 and name  HB2)   (resid   6 and name  HD#)   2.995    1.195    1.195  
assign (resid   7 and name   HA)   (resid   7 and name HG2#)   2.535    0.735    0.735  
assign (resid   7 and name HG2#)   (resid   8 and name   HN)   3.085    1.285    1.285  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.700    0.900    0.900  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.700    0.900    0.900  
assign (resid  23 and name   HN)   (resid  23 and name   HB)   2.830    1.030    1.030  
assign (resid   8 and name   HN)   (resid   8 and name  HG#)   2.915    1.115    1.115  
assign (resid   7 and name HG2#)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.755    0.955    0.955  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.755    0.955    0.955  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   2.810    1.010    1.010  
assign (resid   9 and name   HA)   (resid   9 and name  HE#)   3.625    1.825    1.825  
assign (resid   9 and name   HA)   (resid  12 and name  HB1)   3.160    1.360    1.360  
assign (resid   9 and name   HA)   (resid  12 and name   HN)   3.320    1.520    1.520  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.610    0.810    0.810  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.610    0.810    0.810  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   3.025    1.225    1.225  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   3.025    1.225    1.225  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.755    0.955    0.955  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.755    0.955    0.955  
assign (resid  13 and name   HN)   (resid  13 and name  HD2)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  13 and name  HD1)   3.650    1.850    1.850  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.645    0.845    0.845  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.520    0.720    0.720  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.955    1.155    1.155  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.030    1.230    1.230  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.615    0.815    0.815  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.795    0.995    0.995  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.775    0.975    0.975  
assign (resid   9 and name   HN)   (resid   9 and name  HD#)   2.740    0.940    0.940  
assign (resid   9 and name  HD#)   (resid  10 and name   HN)   2.945    1.145    1.145  
assign (resid  14 and name   HN)   (resid  14 and name HG2#)   2.800    1.000    1.000  
assign (resid  14 and name   HN)   (resid  14 and name HG1#)   2.800    1.000    1.000  
assign (resid  14 and name   HN)   (resid  14 and name   HB)   2.455    0.655    0.655  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.640    0.840    0.840  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.790    0.990    0.990  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.610    0.810    0.810  
assign (resid  18 and name HG1#)   (resid  19 and name   HN)   3.215    1.415    1.415  
assign (resid  18 and name HG2#)   (resid  19 and name   HN)   3.215    1.415    1.415  
assign (resid  18 and name   HN)   (resid  18 and name HG1#)   3.060    1.260    1.260  
assign (resid  18 and name   HN)   (resid  18 and name HG2#)   3.060    1.260    1.260  
assign (resid  18 and name   HN)   (resid  18 and name   HB)   2.625    0.825    0.825  
assign (resid  18 and name   HB)   (resid  19 and name   HN)   2.995    1.195    1.195  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.415    0.615    0.615  
assign (resid  18 and name   HA)   (resid  18 and name HG1#)   2.580    0.780    0.780  
assign (resid  18 and name   HA)   (resid  18 and name HG2#)   2.580    0.780    0.780  
assign (resid  14 and name   HA)   (resid  14 and name HG1#)   2.545    0.745    0.745  
assign (resid  14 and name   HA)   (resid  14 and name HG2#)   2.545    0.745    0.745  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.540    0.740    0.740  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.610    0.810    0.810  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   3.210    1.410    1.410  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   3.210    1.410    1.410  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.775    0.975    0.975  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.775    0.975    0.975  
assign (resid  20 and name  HG2)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name   HN)   (resid  23 and name HG1#)   2.850    1.050    1.050  
assign (resid  23 and name   HN)   (resid  23 and name HG2#)   2.850    1.050    1.050  
assign (resid  23 and name HG2#)   (resid  24 and name   HN)   2.990    1.190    1.190  
assign (resid  23 and name HG1#)   (resid  24 and name   HN)   2.990    1.190    1.190  
assign (resid  23 and name   HB)   (resid  24 and name   HN)   2.440    0.640    0.640  
assign (resid  23 and name   HA)   (resid  23 and name HG1#)   2.690    0.890    0.890  
assign (resid  23 and name   HA)   (resid  23 and name HG2#)   2.690    0.890    0.890  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.815    1.015    1.015  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.575    0.775    0.775  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   2.860    1.060    1.060  
assign (resid  24 and name   HA)   (resid  24 and name  HG#)   2.925    1.125    1.125  
assign (resid  32 and name   HA)   (resid  32 and name HG2#)   2.605    0.805    0.805  
assign (resid  32 and name HG2#)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  32 and name HG1#)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid  32 and name   HA)   (resid  32 and name HG1#)   2.605    0.805    0.805  
assign (resid  32 and name   HB)   (resid  33 and name   HN)   2.920    1.120    1.120  
assign (resid  33 and name   HN)   (resid  33 and name  HB2)   2.975    1.175    1.175  
assign (resid  33 and name   HN)   (resid  33 and name  HB1)   2.975    1.175    1.175  
assign (resid  33 and name  HB1)   (resid  34 and name   HN)   3.125    1.325    1.325  
assign (resid  33 and name  HB2)   (resid  34 and name   HN)   3.125    1.325    1.325  
assign (resid  22 and name  HA2)   (resid  23 and name   HN)   2.550    0.750    0.750  
assign (resid  32 and name   HN)   (resid  32 and name   HB)   2.615    0.815    0.815  
assign (resid  37 and name   HN)   (resid  37 and name   HG)   3.365    1.565    1.565  
assign (resid  37 and name   HN)   (resid  37 and name  HB1)   2.905    1.105    1.105  
assign (resid  36 and name  HB1)   (resid  37 and name   HN)   2.845    1.045    1.045  
assign (resid  37 and name   HN)   (resid  37 and name  HB2)   2.905    1.105    1.105  
assign (resid  37 and name   HN)   (resid  37 and name HD1#)   3.650    1.850    1.850  
assign (resid  37 and name   HN)   (resid  37 and name HD2#)   3.650    1.850    1.850  
assign (resid  37 and name   HA)   (resid  37 and name HD1#)   2.915    1.115    1.115  
assign (resid  37 and name   HA)   (resid  37 and name HD2#)   2.915    1.115    1.115  
assign (resid  37 and name  HB2)   (resid  37 and name HD1#)   2.765    0.965    0.965  
assign (resid  37 and name  HB2)   (resid  37 and name HD2#)   2.765    0.965    0.965  
assign (resid  37 and name  HB1)   (resid  37 and name HD1#)   2.765    0.965    0.965  
assign (resid  37 and name  HB1)   (resid  37 and name HD2#)   2.765    0.965    0.965  
assign (resid  38 and name   HN)   (resid  38 and name  HB2)   2.805    1.005    1.005  
assign (resid  38 and name   HN)   (resid  38 and name  HG#)   3.160    1.360    1.360  
assign (resid  38 and name   HN)   (resid  38 and name  HD#)   3.650    1.850    1.850  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   2.735    0.935    0.935  
assign (resid  36 and name   HN)   (resid  36 and name  HB2)   2.225    0.425    0.425  
assign (resid  36 and name   HN)   (resid  36 and name  HB1)   2.730    0.930    0.930  
assign (resid  36 and name   HN)   (resid  36 and name  HG#)   2.675    0.875    0.875  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   2.745    0.945    0.945  
assign (resid  46 and name   HN)   (resid  46 and name HG1#)   3.340    1.540    1.540  
assign (resid  46 and name   HN)   (resid  46 and name HG2#)   3.340    1.540    1.540  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.945    1.145    1.145  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.860    1.060    1.060  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.860    1.060    1.060  
assign (resid  25 and name   HN)   (resid  25 and name  HD1)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HD2)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HG1)   2.850    1.050    1.050  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.585    0.785    0.785  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.820    1.020    1.020  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.955    1.155    1.155  
assign (resid  10 and name   HN)   (resid  10 and name  HG#)   3.145    1.345    1.345  
assign (resid  26 and name   HN)   (resid  26 and name  HG#)   3.260    1.460    1.460  
assign (resid  42 and name  HA#)   (resid  44 and name   HN)   3.435    1.635    1.635  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.550    0.750    0.750  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.765    0.965    0.965  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   3.130    1.330    1.330  
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.930    1.130    1.130  
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.930    1.130    1.130  
assign (resid  27 and name   HN)   (resid  27 and name   HA)   2.370    0.570    0.570  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   3.555    1.755    1.755  
assign (resid  27 and name   HN)   (resid  27 and name  HD#)   3.650    1.850    1.850  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid  28 and name   HN)   (resid  28 and name  HD#)   3.650    1.850    1.850  
assign (resid  28 and name   HN)   (resid  28 and name  HG#)   3.305    1.505    1.505  
assign (resid  28 and name   HA)   (resid  28 and name  HG#)   2.990    1.190    1.190  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.775    0.975    0.975  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.655    0.855    0.855  
assign (resid  29 and name   HN)   (resid  29 and name  HB1)   2.655    0.855    0.855  
assign (resid  29 and name  HB1)   (resid  30 and name   HN)   2.950    1.150    1.150  
assign (resid  29 and name  HB2)   (resid  30 and name   HN)   2.950    1.150    1.150  
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.680    0.880    0.880  
assign (resid  30 and name   HN)   (resid  30 and name  HG#)   3.000    1.200    1.200  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.765    0.965    0.965  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.730    0.930    0.930  
assign (resid  31 and name   HN)   (resid  31 and name  HG#)   3.290    1.490    1.490  
assign (resid  31 and name   HN)   (resid  31 and name  HB2)   2.930    1.130    1.130  
assign (resid  31 and name   HN)   (resid  31 and name  HB1)   2.930    1.130    1.130  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.595    0.795    0.795  
assign (resid  36 and name  HB2)   (resid  37 and name   HN)   2.770    0.970    0.970  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.815    1.015    1.015  
assign (resid  22 and name     )   (resid  23 and name   HN)   2.550    0.750    0.750  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.195    1.395    1.395  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  45 and name   HN)   (resid  45 and name  HG#)   3.650    1.850    1.850  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.530    0.730    0.730  
assign (resid  44 and name   HN)   (resid  44 and name  HB2)   2.775    0.975    0.975  
assign (resid  44 and name   HN)   (resid  44 and name  HB1)   2.775    0.975    0.975  
assign (resid  44 and name   HN)   (resid  44 and name  HG#)   2.920    1.120    1.120  
assign (resid  44 and name   HA)   (resid  44 and name  HD#)   3.650    1.850    1.850  
assign (resid  44 and name   HA)   (resid  44 and name  HG#)   2.885    1.085    1.085  
assign (resid   6 and name  HB1)   (resid   6 and name  HD#)   2.995    1.195    1.195  
assign (resid  44 and name  HB2)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  44 and name  HG#)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  44 and name  HB1)   (resid  45 and name   HN)   3.650    1.850    1.850  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.555    1.755    1.755  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   3.555    1.755    1.755  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   3.415    1.615    1.615  
assign (resid  17 and name   HA)   (resid  17 and name  HG#)   2.695    0.895    0.895  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.895    1.095    1.095  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.700    0.900    0.900  
assign (resid  14 and name   HA)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HD#)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.455    1.655    1.655  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.500    0.700    0.700  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   3.040    1.240    1.240  
assign (resid  42 and name   HN)   (resid  42 and name  HA#)   2.370    0.570    0.570  
assign (resid   8 and name  HG#)   (resid   9 and name   HN)   3.625    1.825    1.825  
assign (resid  14 and name   HB)   (resid  15 and name   HN)   2.765    0.965    0.965  
assign (resid  41 and name   HA)   (resid  41 and name  HG2)   2.935    1.135    1.135  
assign (resid  41 and name   HA)   (resid  41 and name  HG1)   2.935    1.135    1.135  
assign (resid  41 and name   HN)   (resid  42 and name   HN)   2.530    0.730    0.730  
assign (resid  42 and name  HA#)   (resid  43 and name   HN)   2.515    0.715    0.715  
assign (resid  43 and name   HN)   (resid  43 and name  HD#)   3.365    1.565    1.565  
assign (resid  38 and name   HN)   (resid  38 and name  HB1)   2.805    1.005    1.005  
assign (resid  43 and name   HN)   (resid  43 and name  HG#)   2.970    1.170    1.170  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   3.515    1.715    1.715  
assign (resid  43 and name   HA)   (resid  43 and name  HD#)   3.650    1.850    1.850  
assign (resid  43 and name   HA)   (resid  43 and name  HG#)   2.770    0.970    0.970  
assign (resid  43 and name   HN)   (resid  44 and name   HN)   2.810    1.010    1.010  
assign (resid  34 and name   HN)   (resid  34 and name  HG#)   2.950    1.150    1.150  
assign (resid  34 and name   HN)   (resid  34 and name  HB#)   2.835    1.035    1.035  
assign (resid  34 and name   HA)   (resid  34 and name  HG#)   3.025    1.225    1.225  
assign (resid  35 and name   HN)   (resid  35 and name  HE#)   3.650    1.850    1.850  
assign (resid  35 and name   HA)   (resid  35 and name  HE#)   3.650    1.850    1.850  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   3.000    1.200    1.200  
assign (resid   6 and name  HD#)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid  40 and name   HN)   (resid  40 and name  HD#)   3.650    1.850    1.850  
assign (resid  28 and name   HA)   (resid  28 and name  HD#)   3.170    1.370    1.370  
assign (resid  40 and name   HA)   (resid  40 and name  HD#)   3.280    1.480    1.480  
assign (resid  39 and name   HN)   (resid  39 and name  HG2)   2.795    0.995    0.995  
assign (resid  39 and name   HA)   (resid  39 and name  HG2)   2.910    1.110    1.110  
assign (resid  39 and name   HA)   (resid  39 and name  HG1)   2.910    1.110    1.110  
assign (resid  39 and name   HN)   (resid  39 and name  HG1)   2.795    0.995    0.995  
assign (resid  39 and name  HB1)   (resid  42 and name   HN)   3.650    1.850    1.850  
assign (resid  39 and name  HB2)   (resid  42 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.725    0.925    0.925  
assign (resid  40 and name   HN)   (resid  41 and name   HN)   2.910    1.110    1.110  
assign (resid  15 and name   HN)   (resid  15 and name  HD#)   3.650    1.850    1.850  
assign (resid  40 and name  HD#)   (resid  41 and name   HN)   3.650    1.850    1.850  
assign (resid  36 and name   HN)   (resid  36 and name  HD2)   3.505    1.705    1.705  
assign (resid  36 and name   HA)   (resid  36 and name  HD2)   3.400    1.600    1.600  
assign (resid  38 and name   HA)   (resid  38 and name  HD#)   3.235    1.435    1.435  
assign (resid  38 and name  HB2)   (resid  38 and name  HD#)   2.830    1.030    1.030  
assign (resid  38 and name  HB1)   (resid  38 and name  HD#)   2.830    1.030    1.030  
assign (resid   5 and name  HD#)   (resid   6 and name   HN)   3.065    1.265    1.265  
assign (resid   5 and name  HG2)   (resid   6 and name   HN)   3.025    1.225    1.225  
assign (resid   5 and name  HG1)   (resid   6 and name   HN)   3.025    1.225    1.225  
assign (resid   1 and name  HG#)   (resid   2 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.650    1.850    1.850  
assign (resid  36 and name  HB2)   (resid  36 and name   HE)   2.830    1.030    1.030  
assign (resid  36 and name  HB1)   (resid  36 and name   HE)   3.285    1.485    1.485  
assign (resid  36 and name   HN)   (resid  36 and name  HD1)   3.505    1.705    1.705  
assign (resid   9 and name  HD#)   (resid  37 and name HD2#)   2.970    1.170    1.170  
assign (resid   9 and name  HD#)   (resid  37 and name HD1#)   2.970    1.170    1.170  
assign (resid   9 and name  HD#)   (resid  37 and name   HG)   3.530    1.730    1.730  
assign (resid   9 and name  HE#)   (resid  37 and name   HG)   3.430    1.630    1.630  
assign (resid   9 and name  HE#)   (resid  37 and name  HB1)   3.470    1.670    1.670  
assign (resid   9 and name  HE#)   (resid  37 and name  HB2)   3.470    1.670    1.670  
assign (resid  13 and name  HB2)   (resid  13 and name   HE)   3.465    1.665    1.665  
assign (resid  13 and name  HB1)   (resid  13 and name   HE)   3.465    1.665    1.665  
assign (resid  25 and name  HB1)   (resid  25 and name   HE)   3.555    1.755    1.755  
assign (resid  25 and name  HB2)   (resid  25 and name   HE)   3.555    1.755    1.755  
assign (resid  25 and name   HA)   (resid  25 and name  HD1)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  25 and name  HD2)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  25 and name  HG2)   2.850    1.050    1.050  
assign (resid  27 and name  HB2)   (resid  27 and name   HE)   3.445    1.645    1.645  
assign (resid  27 and name  HB1)   (resid  27 and name   HE)   3.445    1.645    1.645  
assign (resid  44 and name  HB1)   (resid  44 and name   HE)   3.650    1.850    1.850  
assign (resid  44 and name  HB2)   (resid  44 and name   HE)   3.650    1.850    1.850  
assign (resid  43 and name  HB1)   (resid  43 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name  HB2)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid  43 and name  HB2)   (resid  43 and name   HE)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  13 and name   HE)   3.650    1.850    1.850  
assign (resid  38 and name   HA)   (resid  38 and name   HE)   3.650    1.850    1.850  
assign (resid  40 and name   HA)   (resid  40 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid  43 and name   HA)   (resid  43 and name   HE)   3.650    1.850    1.850  
assign (resid  44 and name   HA)   (resid  44 and name   HE)   3.650    1.850    1.850  
assign (resid  27 and name   HA)   (resid  27 and name   HE)   3.620    1.820    1.820  
assign (resid  28 and name   HA)   (resid  28 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name   HE)   (resid   3 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  34 and name   HA)   2.805    1.005    1.005  
assign (resid   9 and name  HE#)   (resid  34 and name   HA)   2.775    0.975    0.975  
assign (resid  37 and name HD1#)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name HD2#)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name   HG)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  37 and name HD1#)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  37 and name HD2#)   3.650    1.850    1.850  
assign (resid  20 and name  HG1)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   2.825    1.025    1.025  
assign (resid   9 and name  HB2)   (resid  37 and name HD1#)   3.630    1.830    1.830  
assign (resid   9 and name  HB1)   (resid  37 and name HD1#)   3.630    1.830    1.830  
assign (resid   9 and name  HB2)   (resid  37 and name HD2#)   3.630    1.830    1.830  
assign (resid   9 and name  HB1)   (resid  37 and name HD2#)   3.630    1.830    1.830  
assign (resid  34 and name   HA)   (resid  37 and name HD1#)   3.650    1.850    1.850  
assign (resid  37 and name HD1#)   (resid  38 and name   HA)   3.650    1.850    1.850  
assign (resid  34 and name   HA)   (resid  37 and name HD2#)   3.650    1.850    1.850  
assign (resid  37 and name HD2#)   (resid  38 and name   HA)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   9 and name  HD#)   3.070    1.270    1.270  
assign (resid   9 and name  HD#)   (resid  33 and name   HA)   3.405    1.605    1.605  
assign (resid   9 and name  HE#)   (resid  10 and name  HG#)   3.450    1.650    1.650  
assign (resid   9 and name  HE#)   (resid  10 and name  HB#)   3.130    1.330    1.330  
assign (resid   6 and name  HG#)   (resid   9 and name  HD#)   3.650    1.850    1.850  
assign (resid  10 and name  HB#)   (resid  11 and name  HB#)   3.135    1.335    1.335  
assign (resid   9 and name   HA)   (resid  12 and name  HB2)   3.160    1.360    1.360  
assign (resid   4 and name   HA)   (resid   5 and name  HD#)   2.390    0.590    0.590  
assign (resid   6 and name   HN)   (resid   7 and name HG2#)   3.345    1.545    1.545  
assign (resid  40 and name  HG#)   (resid  41 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  26 and name  HB#)   3.245    1.445    1.445  
assign (resid   2 and name  HG#)   (resid   3 and name   HN)   3.440    1.640    1.640  
assign (resid  39 and name   HA)   (resid  42 and name   HN)   2.640    0.840    0.840  
assign (resid  16 and name   HA)   (resid  19 and name  HB#)   3.090    1.290    1.290  
assign (resid  16 and name   HA)   (resid  19 and name   HN)   3.585    1.785    1.785  
assign (resid  14 and name   HA)   (resid  17 and name  HB2)   3.495    1.695    1.695  
assign (resid  14 and name   HA)   (resid  17 and name  HG#)   2.935    1.135    1.135  
assign (resid  14 and name   HA)   (resid  17 and name  HB1)   3.495    1.695    1.695  
assign (resid  14 and name   HN)   (resid  15 and name   HA)   3.610    1.810    1.810  
assign (resid   9 and name  HE#)   (resid  10 and name   HN)   3.255    1.455    1.455  
assign (resid   9 and name  HE#)   (resid  34 and name   HN)   3.475    1.675    1.675  
assign (resid   2 and name  HB#)   (resid   2 and name  HD#)   2.690    0.890    0.890  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.670    0.870    0.870  
assign (resid   4 and name  HB#)   (resid   6 and name   HN)   2.750    0.950    0.950  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.645    0.845    0.845  
assign (resid   5 and name  HB#)   (resid  37 and name  HD#)   2.755    0.955    0.955  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   2.705    0.905    0.905  
assign (resid   5 and name  HG#)   (resid  37 and name  HD#)   3.055    1.255    1.255  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.425    0.625    0.625  
assign (resid   6 and name   HN)   (resid  37 and name  HD#)   3.250    1.450    1.450  
assign (resid   6 and name   HA)   (resid  37 and name  HD#)   2.905    1.105    1.105  
assign (resid   6 and name  HB#)   (resid   6 and name  HD#)   2.725    0.925    0.925  
assign (resid   6 and name  HB#)   (resid   6 and name   HE)   3.200    1.400    1.400  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.655    0.855    0.855  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.540    0.740    0.740  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   3.570    1.770    1.770  
assign (resid   8 and name  HB#)   (resid  37 and name  HD#)   3.320    1.520    1.520  
assign (resid   8 and name  HG#)   (resid  37 and name  HD#)   3.525    1.725    1.725  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.375    0.575    0.575  
assign (resid   9 and name   HN)   (resid  37 and name  HD#)   3.080    1.280    1.280  
assign (resid   9 and name   HA)   (resid  12 and name  HB#)   2.790    0.990    0.990  
assign (resid   9 and name   HA)   (resid  37 and name  HD#)   3.245    1.445    1.445  
assign (resid   9 and name  HB#)   (resid  34 and name   HA)   3.570    1.770    1.770  
assign (resid   9 and name  HB#)   (resid  37 and name   HA)   3.570    1.770    1.770  
assign (resid   9 and name  HB#)   (resid  37 and name  HD#)   2.510    0.710    0.710  
assign (resid   9 and name  HD#)   (resid  13 and name  HD#)   3.300    1.500    1.500  
assign (resid   9 and name  HD#)   (resid  33 and name  HB#)   3.080    1.280    1.280  
assign (resid   9 and name  HD#)   (resid  37 and name  HB#)   2.560    0.760    0.760  
assign (resid   9 and name  HE#)   (resid  13 and name  HD#)   2.825    1.025    1.025  
assign (resid   9 and name  HE#)   (resid  33 and name  HB#)   3.140    1.340    1.340  
assign (resid   9 and name  HE#)   (resid  37 and name  HB#)   3.095    1.295    1.295  
assign (resid   9 and name  HE#)   (resid  37 and name  HD#)   3.255    1.455    1.455  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.370    0.570    0.570  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   2.635    0.835    0.835  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.470    0.670    0.670  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   2.805    1.005    1.005  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   3.030    1.230    1.230  
assign (resid  14 and name   HN)   (resid  14 and name  HG*)   2.415    0.615    0.615  
assign (resid  14 and name   HA)   (resid  14 and name  HG*)   2.295    0.495    0.495  
assign (resid  14 and name   HA)   (resid  17 and name  HB#)   3.085    1.285    1.285  
assign (resid  15 and name   HA)   (resid  15 and name  HG#)   2.530    0.730    0.730  
assign (resid  15 and name  HB#)   (resid  15 and name  HD#)   2.690    0.890    0.890  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.595    0.795    0.795  
assign (resid  18 and name   HN)   (resid  18 and name  HG*)   2.735    0.935    0.935  
assign (resid  18 and name   HA)   (resid  18 and name  HG*)   2.225    0.425    0.425  
assign (resid  18 and name  HG*)   (resid  19 and name  HB#)   3.090    1.290    1.290  
assign (resid  18 and name  HG*)   (resid  20 and name   HN)   3.460    1.660    1.660  
assign (resid  19 and name  HB#)   (resid  20 and name  HG#)   2.850    1.050    1.050  
assign (resid  20 and name   HN)   (resid  20 and name  HG#)   3.030    1.230    1.230  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.615    0.815    0.815  
assign (resid  20 and name  HB#)   (resid  22 and name   HN)   3.460    1.660    1.660  
assign (resid  20 and name  HG#)   (resid  29 and name  HB#)   3.050    1.250    1.250  
assign (resid  21 and name   HN)   (resid  21 and name  HB#)   2.465    0.665    0.665  
assign (resid  23 and name   HN)   (resid  23 and name  HG*)   2.565    0.765    0.765  
assign (resid  23 and name   HA)   (resid  23 and name  HG*)   2.425    0.625    0.625  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   2.435    0.635    0.635  
assign (resid  25 and name   HA)   (resid  25 and name  HD#)   3.280    1.480    1.480  
assign (resid  25 and name  HB#)   (resid  25 and name  HD#)   2.560    0.760    0.760  
assign (resid  25 and name  HB#)   (resid  25 and name   HE)   3.140    1.340    1.340  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.615    0.815    0.815  
assign (resid  27 and name  HB#)   (resid  27 and name  HD#)   2.695    0.895    0.895  
assign (resid  27 and name  HB#)   (resid  27 and name   HE)   3.085    1.285    1.285  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   3.030    1.230    1.230  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.430    0.630    0.630  
assign (resid  28 and name  HB#)   (resid  28 and name   HE)   2.930    1.130    1.130  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.675    0.875    0.875  
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.430    0.630    0.630  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   2.550    0.750    0.750  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.555    0.755    0.755  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.930    1.130    1.130  
assign (resid  32 and name   HN)   (resid  32 and name  HG*)   2.775    0.975    0.975  
assign (resid  32 and name   HA)   (resid  32 and name  HG*)   2.315    0.515    0.515  
assign (resid  32 and name  HG*)   (resid  33 and name   HN)   3.130    1.330    1.330  
assign (resid  33 and name   HN)   (resid  33 and name  HB#)   2.690    0.890    0.890  
assign (resid  33 and name  HB#)   (resid  34 and name   HN)   2.710    0.910    0.910  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.410    0.610    0.610  
assign (resid  35 and name   HN)   (resid  35 and name  HG#)   3.025    1.225    1.225  
assign (resid  35 and name  HB#)   (resid  35 and name  HE#)   2.595    0.795    0.795  
assign (resid  36 and name   HN)   (resid  36 and name  HD#)   3.145    1.345    1.345  
assign (resid  36 and name   HA)   (resid  36 and name  HD#)   2.985    1.185    1.185  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.560    0.760    0.760  
assign (resid  37 and name   HN)   (resid  37 and name  HD#)   3.135    1.335    1.335  
assign (resid  37 and name   HA)   (resid  37 and name  HD#)   2.430    0.630    0.630  
assign (resid  37 and name  HB#)   (resid  37 and name  HD#)   2.280    0.480    0.480  
assign (resid  37 and name  HB#)   (resid  38 and name   HN)   2.680    0.880    0.880  
assign (resid  37 and name  HD#)   (resid  38 and name   HN)   3.280    1.480    1.480  
assign (resid  38 and name  HB#)   (resid  38 and name  HD#)   2.540    0.740    0.740  
assign (resid  38 and name  HB#)   (resid  38 and name   HE)   3.570    1.770    1.770  
assign (resid  39 and name   HN)   (resid  39 and name  HB#)   2.660    0.860    0.860  
assign (resid  39 and name   HN)   (resid  39 and name  HG#)   2.480    0.680    0.680  
assign (resid  39 and name   HA)   (resid  39 and name  HG#)   2.555    0.755    0.755  
assign (resid  40 and name   HN)   (resid  40 and name  HB#)   2.445    0.645    0.645  
assign (resid  40 and name  HB#)   (resid  40 and name   HE)   3.150    1.350    1.350  
assign (resid  41 and name   HN)   (resid  41 and name  HB#)   2.560    0.760    0.760  
assign (resid  41 and name   HN)   (resid  41 and name  HG#)   2.395    0.595    0.595  
assign (resid  41 and name   HA)   (resid  41 and name  HG#)   2.685    0.885    0.885  
assign (resid  41 and name  HB#)   (resid  42 and name   HN)   2.890    1.090    1.090  
assign (resid  43 and name   HN)   (resid  43 and name  HB#)   2.730    0.930    0.930  
assign (resid  44 and name   HN)   (resid  44 and name  HB#)   2.475    0.675    0.675  
assign (resid  44 and name  HB#)   (resid  44 and name  HD#)   2.710    0.910    0.910  
assign (resid  46 and name   HN)   (resid  46 and name  HG*)   2.930    1.130    1.130  
assign (resid  46 and name  HG*)   (resid  47 and name   HN)   3.180    1.380    1.380  
# Restraints file 2: dihedrals.tbl
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  -38.7   20.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -67.3   20.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  -41.0   20.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -65.0   20.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  -41.3   20.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0  -63.7   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  -44.6   20.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -63.7   20.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  -40.5   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  -65.4   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  -38.6   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  -66.2   20.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -39.6   20.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -62.1   20.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -43.9   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  -67.2   20.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  -43.8   20.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -63.8   20.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  -34.5   20.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -69.9   20.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  -28.9   31.3 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -80.0   20.4 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -64.8   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  -40.0   20.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -73.4   20.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -40.0   20.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -59.9   20.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0   60.0   20.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -42.9   20.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -63.6   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  -43.6   20.0 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -67.3   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -65.7   20.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -40.1   20.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0  -65.7   20.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  -38.4   20.0 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0  -64.9   20.0 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    ) (resid 29    and name N    )    1.0  -42.9   20.0 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0  -64.5   20.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    ) (resid 30    and name N    )    1.0  -38.9   20.0 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0  -65.8   20.0 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    ) (resid 31    and name N    )    1.0  -36.9   20.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -66.4   20.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  -43.2   20.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -62.3   20.0 2
assign (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    ) (resid 33    and name N    )    1.0  -44.9   20.0 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0  -64.8   20.0 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    ) (resid 34    and name N    )    1.0  -37.6   20.0 2
assign (resid 33    and name C    ) (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    )    1.0  -64.1   20.0 2
assign (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    ) (resid 35    and name N    )    1.0  -42.0   20.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0  -66.4   20.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    ) (resid 36    and name N    )    1.0  -37.9   20.0 2
assign (resid 35    and name C    ) (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    )    1.0  -68.9   20.0 2
assign (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    ) (resid 37    and name N    )    1.0  -37.7   20.0 2
assign (resid 36    and name C    ) (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    )    1.0  -67.8   20.0 2
assign (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    ) (resid 38    and name N    )    1.0  -39.2   20.0 2
assign (resid 37    and name C    ) (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    )    1.0  -66.5   20.0 2
assign (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    ) (resid 39    and name N    )    1.0  -35.5   20.0 2
assign (resid 38    and name C    ) (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    )    1.0  -66.5   20.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    ) (resid 40    and name N    )    1.0  -39.2   20.0 2
assign (resid 39    and name C    ) (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    )    1.0  -64.3   20.0 2
assign (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    ) (resid 41    and name N    )    1.0  -40.8   20.0 2
assign (resid 40    and name C    ) (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    )    1.0  -65.3   20.0 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    ) (resid 42    and name N    )    1.0  -38.7   20.0 2
assign (resid 41    and name C    ) (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    )    1.0  -66.8   20.0 2
assign (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    ) (resid 43    and name N    )    1.0  -33.8   20.0 2
assign (resid 42    and name C    ) (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    )    1.0  -75.0   25.9 2
assign (resid 43    and name N    ) (resid 43    and name CA   ) (resid 43    and name C    ) (resid 44    and name N    )    1.0  -28.8   25.4 2

!DISH Chi1 & Chi2

assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name SG   )    1.0  180.0   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name CB   ) (resid 16    and name SG   )    1.0  -60.0   30.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name CB   ) (resid 29    and name SG   )    1.0  -60.0   30.0 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name CB   ) (resid 33    and name SG   )    1.0  -60.0   30.0 2







# Restraints file 3: hbonds.tbl

assign (resid 10    and name HN   ) (resid  6    and name O )    0.00    0.00    2.30
assign (resid 10    and name N    ) (resid  6    and name O )    0.00    0.00    3.30
assign (resid 11    and name HN   ) (resid  7    and name O )    0.00    0.00    2.30
assign (resid 11    and name N    ) (resid  7    and name O )    0.00    0.00    3.30
assign (resid 12    and name HN   ) (resid  8    and name O )    0.00    0.00    2.30
assign (resid 12    and name N    ) (resid  8    and name O )    0.00    0.00    3.30
assign (resid 14    and name HN   ) (resid 10    and name O )    0.00    0.00    2.30
assign (resid 14    and name N    ) (resid 10    and name O )    0.00    0.00    3.30
assign (resid 16    and name HN   ) (resid 12    and name O )    0.00    0.00    2.30
assign (resid 16    and name N    ) (resid 12    and name O )    0.00    0.00    3.30
assign (resid 17    and name HN   ) (resid 13    and name O )    0.00    0.00    2.30
assign (resid 17    and name N    ) (resid 13    and name O )    0.00    0.00    3.30
assign (resid 18    and name HN   ) (resid 14    and name O )    0.00    0.00    2.30
assign (resid 18    and name N    ) (resid 14    and name O )    0.00    0.00    3.30
assign (resid 20    and name HN   ) (resid 16    and name O )    0.00    0.00    2.30
assign (resid 20    and name N    ) (resid 16    and name O )    0.00    0.00    3.30
assign (resid 26    and name HN   ) (resid 22    and name O )    0.00    0.00    2.30
assign (resid 26    and name N    ) (resid 22    and name O )    0.00    0.00    3.30
assign (resid 29    and name HN   ) (resid 25    and name O )    0.00    0.00    2.30
assign (resid 29    and name N    ) (resid 25    and name O )    0.00    0.00    3.30
assign (resid 30    and name HN   ) (resid 26    and name O )    0.00    0.00    2.30
assign (resid 30    and name N    ) (resid 26    and name O )    0.00    0.00    3.30
assign (resid 32    and name HN   ) (resid 28    and name O )    0.00    0.00    2.30
assign (resid 32    and name N    ) (resid 28    and name O )    0.00    0.00    3.30
assign (resid 33    and name HN   ) (resid 29    and name O )    0.00    0.00    2.30
assign (resid 33    and name N    ) (resid 29    and name O )    0.00    0.00    3.30
assign (resid 36    and name HN   ) (resid 32    and name O )    0.00    0.00    2.30
assign (resid 36    and name N    ) (resid 32    and name O )    0.00    0.00    3.30
assign (resid 37    and name HN   ) (resid 33    and name O )    0.00    0.00    2.30
assign (resid 37    and name N    ) (resid 33    and name O )    0.00    0.00    3.30
assign (resid 38    and name HN   ) (resid 34    and name O )    0.00    0.00    2.30
assign (resid 38    and name N    ) (resid 34    and name O )    0.00    0.00    3.30
assign (resid 39    and name HN   ) (resid 35    and name O )    0.00    0.00    2.30
assign (resid 39    and name N    ) (resid 35    and name O )    0.00    0.00    3.30
assign (resid 40    and name HN   ) (resid 36    and name O )    0.00    0.00    2.30
assign (resid 40    and name N    ) (resid 36    and name O )    0.00    0.00    3.30
assign (resid 41    and name HN   ) (resid 37    and name O )    0.00    0.00    2.30
assign (resid 41    and name N    ) (resid 37    and name O )    0.00    0.00    3.30
assign (resid 42    and name HN   ) (resid 38    and name O )    0.00    0.00    2.30
assign (resid 42    and name N    ) (resid 38    and name O )    0.00    0.00    3.30
assign (resid 43    and name HN   ) (resid 39    and name O )    0.00    0.00    2.30
assign (resid 43    and name N    ) (resid 39    and name O )    0.00    0.00    3.30


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1   8.667  10.284  10.904
    2    H3   PRO   1           HT2      PRO   1   9.418   9.871  12.278
    3    HA   PRO   1           HA       PRO   1  10.196   8.128  11.450
    4    HB2  PRO   1           HB2      PRO   1   7.916   7.349   9.751
    5    HB3  PRO   1           HB1      PRO   1   8.848   6.373  10.893
    6    HG2  PRO   1           HG2      PRO   1   6.366   7.295  11.464
    7    HG3  PRO   1           HG1      PRO   1   7.603   7.024  12.698
    8    HD2  PRO   1           HD2      PRO   1   6.587   9.581  11.572
    9    HD3  PRO   1           HD1      PRO   1   7.287   9.248  13.163
   10    H    ARG   2           H        ARG   2  10.461   7.215   8.960
   11    HA   ARG   2           HA       ARG   2  10.559   9.648   7.320
   12    HB2  ARG   2           HB2      ARG   2  12.573   7.398   7.434
   13    HB3  ARG   2           HB1      ARG   2  12.603   8.713   6.271
   14    HG2  ARG   2           HG2      ARG   2  12.972   8.921   9.249
   15    HG3  ARG   2           HG1      ARG   2  14.199   9.142   7.999
   16    HD2  ARG   2           HD2      ARG   2  11.779  10.864   8.491
   17    HD3  ARG   2           HD1      ARG   2  13.456  11.295   8.818
   18    HE   ARG   2           HE       ARG   2  13.634  10.844   6.267
   19   HH11  ARG   2          HH11      ARG   2  11.052  12.591   7.976
   20   HH12  ARG   2          HH12      ARG   2  10.649  13.573   6.650
   21   HH21  ARG   2          HH21      ARG   2  13.059  12.212   4.421
   22   HH22  ARG   2          HH22      ARG   2  11.837  13.369   4.614
   23    H    GLY   3           H        GLY   3  11.030   8.881   4.904
   24    HA2  GLY   3           HA2      GLY   3  10.400   6.673   3.705
   25    HA3  GLY   3           HA1      GLY   3   8.816   7.115   4.326
   26    H    SER   4           H        SER   4   8.741   6.935   1.854
   27    HA   SER   4           HA       SER   4   8.897   9.627   0.761
   28    HB2  SER   4           HB2      SER   4   9.433   8.413  -1.437
   29    HB3  SER   4           HB1      SER   4  10.657   8.232  -0.200
   30    HG   SER   4           HG       SER   4  10.209   6.230   0.045
   31    HA   PRO   5           HA       PRO   5   4.522   9.010  -0.076
   32    HB2  PRO   5           HB2      PRO   5   4.003   9.362  -2.626
   33    HB3  PRO   5           HB1      PRO   5   4.630  10.710  -1.637
   34    HG2  PRO   5           HG2      PRO   5   6.099   8.773  -3.375
   35    HG3  PRO   5           HG1      PRO   5   6.153  10.542  -3.487
   36    HD2  PRO   5           HD2      PRO   5   8.042   9.289  -2.226
   37    HD3  PRO   5           HD1      PRO   5   7.345  10.733  -1.456
   38    H    ARG   6           H        ARG   6   6.520   6.803  -1.289
   39    HA   ARG   6           HA       ARG   6   4.384   5.093  -2.462
   40    HB2  ARG   6           HB2      ARG   6   6.208   3.666  -3.342
   41    HB3  ARG   6           HB1      ARG   6   6.205   5.307  -3.998
   42    HG2  ARG   6           HG2      ARG   6   8.081   5.901  -2.630
   43    HG3  ARG   6           HG1      ARG   6   7.984   4.378  -1.752
   44    HD2  ARG   6           HD2      ARG   6   8.644   3.143  -3.694
   45    HD3  ARG   6           HD1      ARG   6   8.531   4.582  -4.707
   46    HE   ARG   6           HE       ARG   6  10.344   5.484  -3.246
   47   HH11  ARG   6          HH11      ARG   6  10.075   1.931  -3.588
   48   HH12  ARG   6          HH12      ARG   6  11.734   1.673  -3.667
   49   HH21  ARG   6          HH21      ARG   6  12.648   5.099  -3.295
   50   HH22  ARG   6          HH22      ARG   6  13.269   3.533  -3.476
   51    H    THR   7           H        THR   7   6.474   5.429   0.155
   52    HA   THR   7           HA       THR   7   7.229   2.984   0.901
   53    HB   THR   7           HB       THR   7   6.456   5.256   2.706
   54    HG1  THR   7           HG1      THR   7   8.715   4.639   1.100
   55   HG21  THR   7          HG21      THR   7   7.026   3.156   3.814
   56   HG22  THR   7          HG22      THR   7   8.274   4.415   4.034
   57   HG23  THR   7          HG23      THR   7   8.513   3.111   2.849
   58    H    GLU   8           H        GLU   8   4.116   4.481   1.885
   59    HA   GLU   8           HA       GLU   8   3.428   2.455   3.729
   60    HB2  GLU   8           HB2      GLU   8   2.285   4.659   3.630
   61    HB3  GLU   8           HB1      GLU   8   1.535   4.144   2.121
   62    HG2  GLU   8           HG2      GLU   8   0.421   2.319   3.269
   63    HG3  GLU   8           HG1      GLU   8   1.176   2.803   4.784
   64    H    TYR   9           H        TYR   9   2.801   2.806   0.300
   65    HA   TYR   9           HA       TYR   9   1.019   0.642   0.072
   66    HB2  TYR   9           HB2      TYR   9   0.828   2.379  -1.474
   67    HB3  TYR   9           HB1      TYR   9   2.559   2.465  -1.737
   68    HD1  TYR   9           HD1      TYR   9  -0.463   0.569  -2.442
   69    HD2  TYR   9           HD2      TYR   9   3.574   1.210  -3.283
   70    HE1  TYR   9           HE1      TYR   9  -0.705  -0.871  -4.438
   71    HE2  TYR   9           HE2      TYR   9   3.439  -0.214  -5.314
   72    HH   TYR   9           HH       TYR   9   0.544  -1.085  -6.665
   73    H    GLU  10           H        GLU  10   4.368   1.233  -0.767
   74    HA   GLU  10           HA       GLU  10   5.056  -1.241  -1.802
   75    HB2  GLU  10           HB2      GLU  10   6.265   0.864  -2.073
   76    HB3  GLU  10           HB1      GLU  10   6.718   0.815  -0.384
   77    HG2  GLU  10           HG2      GLU  10   8.056  -1.135  -0.759
   78    HG3  GLU  10           HG1      GLU  10   7.522  -1.206  -2.443
   79    H    ALA  11           H        ALA  11   5.571   0.058   1.486
   80    HA   ALA  11           HA       ALA  11   6.779  -2.231   2.549
   81    HB1  ALA  11           HB1      ALA  11   6.946  -0.030   3.597
   82    HB2  ALA  11           HB2      ALA  11   6.333  -1.234   4.734
   83    HB3  ALA  11           HB3      ALA  11   5.227  -0.084   3.984
   84    H    CYS  12           H        CYS  12   3.444  -1.332   2.140
   85    HA   CYS  12           HA       CYS  12   2.278  -3.247   3.852
   86    HB2  CYS  12           HB2      CYS  12   1.068  -1.307   2.845
   87    HB3  CYS  12           HB1      CYS  12   1.177  -2.098   1.286
   88    H    ARG  13           H        ARG  13   3.141  -3.295   0.407
   89    HA   ARG  13           HA       ARG  13   2.172  -5.896  -0.080
   90    HB2  ARG  13           HB2      ARG  13   4.307  -4.360  -1.580
   91    HB3  ARG  13           HB1      ARG  13   3.513  -5.817  -2.160
   92    HG2  ARG  13           HG2      ARG  13   1.347  -4.584  -2.091
   93    HG3  ARG  13           HG1      ARG  13   2.248  -3.126  -1.675
   94    HD2  ARG  13           HD2      ARG  13   1.802  -3.134  -4.048
   95    HD3  ARG  13           HD1      ARG  13   3.529  -3.372  -3.787
   96    HE   ARG  13           HE       ARG  13   2.615  -5.889  -3.949
   97   HH11  ARG  13          HH11      ARG  13   2.232  -3.111  -6.158
   98   HH12  ARG  13          HH12      ARG  13   2.016  -4.093  -7.521
   99   HH21  ARG  13          HH21      ARG  13   2.334  -7.170  -5.805
  100   HH22  ARG  13          HH22      ARG  13   2.073  -6.445  -7.345
  101    H    VAL  14           H        VAL  14   5.340  -4.642   0.781
  102    HA   VAL  14           HA       VAL  14   6.722  -7.094   0.761
  103    HB   VAL  14           HB       VAL  14   7.267  -4.612   2.430
  104   HG11  VAL  14          HG11      VAL  14   9.561  -5.459   2.658
  105   HG12  VAL  14          HG12      VAL  14   9.096  -6.942   1.825
  106   HG13  VAL  14          3HG1      VAL  14   8.395  -6.559   3.397
  107   HG21  VAL  14          HG21      VAL  14   8.420  -5.539  -0.197
  108   HG22  VAL  14          HG22      VAL  14   8.949  -4.125   0.709
  109   HG23  VAL  14          HG23      VAL  14   7.317  -4.182   0.040
  110    H    ARG  15           H        ARG  15   5.035  -5.415   3.385
  111    HA   ARG  15           HA       ARG  15   5.578  -7.090   5.539
  112    HB2  ARG  15           HB2      ARG  15   4.360  -4.897   5.624
  113    HB3  ARG  15           HB1      ARG  15   2.955  -5.704   4.956
  114    HG2  ARG  15           HG2      ARG  15   2.927  -7.187   6.954
  115    HG3  ARG  15           HG1      ARG  15   4.233  -6.212   7.633
  116    HD2  ARG  15           HD2      ARG  15   2.191  -5.391   8.549
  117    HD3  ARG  15           HD1      ARG  15   2.753  -4.206   7.372
  118    HE   ARG  15           HE       ARG  15   0.672  -6.204   6.757
  119   HH11  ARG  15          HH11      ARG  15   1.825  -2.844   6.531
  120   HH12  ARG  15          HH12      ARG  15   0.389  -2.270   5.834
  121   HH21  ARG  15          HH21      ARG  15  -1.263  -5.409   5.794
  122   HH22  ARG  15          HH22      ARG  15  -1.419  -3.772   5.375
  123    H    CYS  16           H        CYS  16   2.801  -7.161   3.345
  124    HA   CYS  16           HA       CYS  16   1.861  -9.594   4.426
  125    HB2  CYS  16           HB2      CYS  16   1.026  -8.072   1.966
  126    HB3  CYS  16           HB1      CYS  16   0.182  -9.488   2.595
  127    H    GLN  17           H        GLN  17   4.256  -8.964   2.103
  128    HA   GLN  17           HA       GLN  17   3.875 -11.416   0.672
  129    HB2  GLN  17           HB2      GLN  17   5.049  -9.393  -0.274
  130    HB3  GLN  17           HB1      GLN  17   6.380  -9.734   0.821
  131    HG2  GLN  17           HG2      GLN  17   6.820 -10.573  -1.416
  132    HG3  GLN  17           HG1      GLN  17   6.731 -11.884  -0.238
  133   HE21  GLN  17          1HE2      GLN  17   6.226 -13.394  -1.789
  134   HE22  GLN  17          2HE2      GLN  17   4.698 -13.462  -2.586
  135    H    VAL  18           H        VAL  18   5.807 -10.262   3.340
  136    HA   VAL  18           HA       VAL  18   7.184 -12.773   3.658
  137    HB   VAL  18           HB       VAL  18   7.080 -10.405   5.546
  138   HG11  VAL  18          HG11      VAL  18   7.842 -12.434   6.639
  139   HG12  VAL  18          HG12      VAL  18   9.178 -11.300   6.452
  140   HG13  VAL  18          3HG1      VAL  18   9.044 -12.688   5.374
  141   HG21  VAL  18          HG21      VAL  18   9.092 -11.035   3.385
  142   HG22  VAL  18          HG22      VAL  18   9.239  -9.739   4.572
  143   HG23  VAL  18          HG23      VAL  18   7.938  -9.702   3.381
  144    H    ALA  19           H        ALA  19   4.801 -10.908   5.521
  145    HA   ALA  19           HA       ALA  19   4.556 -12.925   7.513
  146    HB1  ALA  19           HB1      ALA  19   4.348 -10.541   8.020
  147    HB2  ALA  19           HB2      ALA  19   2.946 -11.470   8.551
  148    HB3  ALA  19           HB3      ALA  19   2.849 -10.487   7.089
  149    H    GLU  20           H        GLU  20   2.538 -12.001   4.748
  150    HA   GLU  20           HA       GLU  20   0.494 -13.898   5.649
  151    HB2  GLU  20           HB2      GLU  20   0.511 -12.090   3.228
  152    HB3  GLU  20           HB1      GLU  20  -0.840 -13.069   3.763
  153    HG2  GLU  20           HG2      GLU  20   0.382 -10.820   5.337
  154    HG3  GLU  20           HG1      GLU  20  -1.045 -10.670   4.317
  155    H    HIS  21           H        HIS  21   2.181 -13.199   2.615
  156    HA   HIS  21           HA       HIS  21   2.655 -14.401   0.792
  157    HB2  HIS  21           HB2      HIS  21   4.374 -15.358   2.284
  158    HB3  HIS  21           HB1      HIS  21   3.245 -16.611   2.781
  159    HD1  HIS  21           HD1      HIS  21   3.888 -18.783   1.687
  160    HD2  HIS  21           HD2      HIS  21   4.544 -15.514  -0.799
  161    HE1  HIS  21           HE1      HIS  21   4.761 -19.715  -0.475
  162    H    GLY  22           H        GLY  22   0.654 -14.335  -0.097
  163    HA2  GLY  22           HA2      GLY  22  -0.439 -16.714  -0.935
  164    HA3  GLY  22           HA1      GLY  22  -1.395 -16.160   0.447
  165    H    VAL  23           H        VAL  23  -2.147 -16.353  -2.397
  166    HA   VAL  23           HA       VAL  23  -2.023 -13.814  -3.622
  167    HB   VAL  23           HB       VAL  23  -4.013 -16.038  -4.164
  168   HG11  VAL  23          HG11      VAL  23  -4.260 -15.020  -6.370
  169   HG12  VAL  23          HG12      VAL  23  -3.218 -13.690  -5.867
  170   HG13  VAL  23          3HG1      VAL  23  -4.772 -13.937  -5.078
  171   HG21  VAL  23          HG21      VAL  23  -2.507 -16.686  -5.968
  172   HG22  VAL  23          HG22      VAL  23  -1.704 -16.796  -4.400
  173   HG23  VAL  23          HG23      VAL  23  -1.367 -15.438  -5.475
  174    H    GLU  24           H        GLU  24  -4.607 -15.399  -1.778
  175    HA   GLU  24           HA       GLU  24  -6.557 -13.428  -2.183
  176    HB2  GLU  24           HB2      GLU  24  -6.923 -15.769  -1.381
  177    HB3  GLU  24           HB1      GLU  24  -6.255 -15.281   0.171
  178    HG2  GLU  24           HG2      GLU  24  -8.598 -15.266   0.349
  179    HG3  GLU  24           HG1      GLU  24  -8.032 -13.589   0.331
  180    H    ARG  25           H        ARG  25  -4.198 -13.966   0.341
  181    HA   ARG  25           HA       ARG  25  -5.022 -11.756   1.921
  182    HB2  ARG  25           HB2      ARG  25  -2.503 -13.403   1.966
  183    HB3  ARG  25           HB1      ARG  25  -2.868 -12.145   3.142
  184    HG2  ARG  25           HG2      ARG  25  -4.896 -13.355   3.798
  185    HG3  ARG  25           HG1      ARG  25  -4.505 -14.626   2.642
  186    HD2  ARG  25           HD2      ARG  25  -2.491 -15.154   3.836
  187    HD3  ARG  25           HD1      ARG  25  -2.727 -13.784   4.918
  188    HE   ARG  25           HE       ARG  25  -4.478 -16.142   4.800
  189   HH11  ARG  25          HH11      ARG  25  -3.082 -13.448   6.643
  190   HH12  ARG  25          HH12      ARG  25  -3.616 -14.043   8.149
  191   HH21  ARG  25          HH21      ARG  25  -5.199 -16.910   6.839
  192   HH22  ARG  25          HH22      ARG  25  -4.854 -16.054   8.280
  193    H    GLN  26           H        GLN  26  -2.660 -12.185  -0.624
  194    HA   GLN  26           HA       GLN  26  -1.385  -9.689  -0.380
  195    HB2  GLN  26           HB2      GLN  26  -0.428 -11.518  -1.677
  196    HB3  GLN  26           HB1      GLN  26  -1.799 -11.496  -2.767
  197    HG2  GLN  26           HG2      GLN  26  -1.120  -9.386  -3.674
  198    HG3  GLN  26           HG1      GLN  26   0.152  -9.223  -2.462
  199   HE21  GLN  26          1HE2      GLN  26   0.297  -9.329  -5.403
  200   HE22  GLN  26          2HE2      GLN  26   1.388 -10.629  -5.752
  201    H    ARG  27           H        ARG  27  -4.182 -10.799  -2.224
  202    HA   ARG  27           HA       ARG  27  -4.847  -8.437  -3.569
  203    HB2  ARG  27           HB2      ARG  27  -6.725 -10.500  -2.408
  204    HB3  ARG  27           HB1      ARG  27  -7.189  -9.255  -3.546
  205    HG2  ARG  27           HG2      ARG  27  -5.753 -10.257  -5.234
  206    HG3  ARG  27           HG1      ARG  27  -5.257 -11.496  -4.076
  207    HD2  ARG  27           HD2      ARG  27  -6.996 -12.388  -5.488
  208    HD3  ARG  27           HD1      ARG  27  -7.623 -12.183  -3.852
  209    HE   ARG  27           HE       ARG  27  -8.096 -10.132  -5.891
  210   HH11  ARG  27          HH11      ARG  27  -9.463 -12.367  -3.471
  211   HH12  ARG  27          HH12      ARG  27 -11.069 -12.040  -3.887
  212   HH21  ARG  27          HH21      ARG  27 -10.303  -9.639  -6.401
  213   HH22  ARG  27          HH22      ARG  27 -11.574 -10.421  -5.563
  214    H    ARG  28           H        ARG  28  -5.834  -9.618  -0.405
  215    HA   ARG  28           HA       ARG  28  -7.540  -7.581   0.393
  216    HB2  ARG  28           HB2      ARG  28  -7.282  -9.700   1.583
  217    HB3  ARG  28           HB1      ARG  28  -5.666  -9.230   2.080
  218    HG2  ARG  28           HG2      ARG  28  -6.605  -7.375   3.367
  219    HG3  ARG  28           HG1      ARG  28  -8.232  -7.877   2.895
  220    HD2  ARG  28           HD2      ARG  28  -6.240  -9.494   4.482
  221    HD3  ARG  28           HD1      ARG  28  -7.697  -8.723   5.108
  222    HE   ARG  28           HE       ARG  28  -8.741 -10.237   3.246
  223   HH11  ARG  28          HH11      ARG  28  -6.314 -11.074   5.688
  224   HH12  ARG  28          HH12      ARG  28  -6.746 -12.725   5.758
  225   HH21  ARG  28          HH21      ARG  28  -9.322 -12.520   3.327
  226   HH22  ARG  28          HH22      ARG  28  -8.494 -13.566   4.368
  227    H    CYS  29           H        CYS  29  -4.063  -7.907   1.170
  228    HA   CYS  29           HA       CYS  29  -3.807  -5.459   2.480
  229    HB2  CYS  29           HB2      CYS  29  -1.745  -7.124   1.033
  230    HB3  CYS  29           HB1      CYS  29  -1.380  -5.781   2.108
  231    H    GLN  30           H        GLN  30  -3.233  -6.382  -0.909
  232    HA   GLN  30           HA       GLN  30  -2.206  -3.923  -1.731
  233    HB2  GLN  30           HB2      GLN  30  -2.004  -5.974  -3.070
  234    HB3  GLN  30           HB1      GLN  30  -3.738  -5.976  -3.337
  235    HG2  GLN  30           HG2      GLN  30  -2.666  -5.150  -5.300
  236    HG3  GLN  30           HG1      GLN  30  -3.513  -3.813  -4.530
  237   HE21  GLN  30          1HE2      GLN  30  -1.367  -3.757  -6.424
  238   HE22  GLN  30          2HE2      GLN  30  -0.058  -2.905  -5.685
  239    H    GLN  31           H        GLN  31  -5.513  -5.182  -1.760
  240    HA   GLN  31           HA       GLN  31  -6.707  -3.070  -3.114
  241    HB2  GLN  31           HB2      GLN  31  -7.824  -5.206  -2.738
  242    HB3  GLN  31           HB1      GLN  31  -7.915  -4.878  -1.022
  243    HG2  GLN  31           HG2      GLN  31 -10.053  -4.506  -2.108
  244    HG3  GLN  31           HG1      GLN  31  -9.410  -2.995  -1.462
  245   HE21  GLN  31          1HE2      GLN  31  -8.710  -1.428  -2.886
  246   HE22  GLN  31          2HE2      GLN  31  -9.086  -1.445  -4.564
  247    H    VAL  32           H        VAL  32  -6.060  -3.387   0.350
  248    HA   VAL  32           HA       VAL  32  -7.442  -0.912   0.802
  249    HB   VAL  32           HB       VAL  32  -7.558  -2.604   2.579
  250   HG11  VAL  32          HG11      VAL  32  -5.647  -3.096   4.032
  251   HG12  VAL  32          HG12      VAL  32  -4.600  -2.209   2.922
  252   HG13  VAL  32          3HG1      VAL  32  -5.420  -3.674   2.380
  253   HG21  VAL  32          HG21      VAL  32  -6.105  -0.116   3.461
  254   HG22  VAL  32          HG22      VAL  32  -7.036  -1.181   4.514
  255   HG23  VAL  32          HG23      VAL  32  -7.844  -0.287   3.225
  256    H    CYS  33           H        CYS  33  -4.049  -1.918   0.720
  257    HA   CYS  33           HA       CYS  33  -3.138   0.653   1.491
  258    HB2  CYS  33           HB2      CYS  33  -1.638  -1.679   0.324
  259    HB3  CYS  33           HB1      CYS  33  -0.890  -0.228   0.984
  260    H    GLU  34           H        GLU  34  -3.698  -0.851  -1.631
  261    HA   GLU  34           HA       GLU  34  -2.355   1.117  -3.165
  262    HB2  GLU  34           HB2      GLU  34  -3.023  -1.147  -3.987
  263    HB3  GLU  34           HB1      GLU  34  -4.699  -0.650  -3.894
  264    HG2  GLU  34           HG2      GLU  34  -4.232   1.094  -5.563
  265    HG3  GLU  34           HG1      GLU  34  -2.581   0.484  -5.692
  266    H    LYS  35           H        LYS  35  -5.611   0.708  -1.902
  267    HA   LYS  35           HA       LYS  35  -6.663   2.997  -3.204
  268    HB2  LYS  35           HB2      LYS  35  -8.036   1.077  -2.279
  269    HB3  LYS  35           HB1      LYS  35  -7.719   1.726  -0.676
  270    HG2  LYS  35           HG2      LYS  35  -8.880   3.785  -1.244
  271    HG3  LYS  35           HG1      LYS  35  -9.134   3.209  -2.890
  272    HD2  LYS  35           HD2      LYS  35 -11.170   2.874  -1.677
  273    HD3  LYS  35           HD1      LYS  35 -10.431   1.296  -1.937
  274    HE2  LYS  35           HE2      LYS  35 -11.236   1.368   0.309
  275    HE3  LYS  35           HE1      LYS  35  -9.481   1.456   0.382
  276    HZ1  LYS  35           HZ1      LYS  35 -10.301   3.061   1.869
  277    HZ2  LYS  35           HZ2      LYS  35 -11.445   3.620   0.784
  278    HZ3  LYS  35           HZ3      LYS  35  -9.830   3.987   0.527
  279    H    ARG  36           H        ARG  36  -5.380   2.391   0.056
  280    HA   ARG  36           HA       ARG  36  -5.633   4.934   1.150
  281    HB2  ARG  36           HB2      ARG  36  -3.465   2.871   1.540
  282    HB3  ARG  36           HB1      ARG  36  -3.519   4.367   2.455
  283    HG2  ARG  36           HG2      ARG  36  -5.651   3.750   3.404
  284    HG3  ARG  36           HG1      ARG  36  -5.694   2.296   2.406
  285    HD2  ARG  36           HD2      ARG  36  -5.024   1.806   4.703
  286    HD3  ARG  36           HD1      ARG  36  -3.750   1.419   3.550
  287    HE   ARG  36           HE       ARG  36  -2.768   3.634   4.219
  288   HH11  ARG  36          HH11      ARG  36  -4.663   1.633   6.498
  289   HH12  ARG  36          HH12      ARG  36  -3.928   2.257   7.882
  290   HH21  ARG  36          HH21      ARG  36  -1.683   4.409   6.167
  291   HH22  ARG  36          HH22      ARG  36  -2.205   3.913   7.711
  292    H    LEU  37           H        LEU  37  -3.061   3.616  -0.837
  293    HA   LEU  37           HA       LEU  37  -1.353   5.824  -0.905
  294    HB2  LEU  37           HB2      LEU  37  -0.859   3.464  -1.583
  295    HB3  LEU  37           HB1      LEU  37  -1.821   3.702  -3.011
  296    HG   LEU  37           HG       LEU  37   0.658   3.729  -3.382
  297   HD11  LEU  37          HD11      LEU  37  -0.766   4.742  -5.039
  298   HD12  LEU  37          HD12      LEU  37   0.742   5.643  -4.873
  299   HD13  LEU  37          HD13      LEU  37  -0.743   6.271  -4.157
  300   HD21  LEU  37          HD21      LEU  37   0.514   6.329  -1.890
  301   HD22  LEU  37          HD22      LEU  37   1.921   5.723  -2.753
  302   HD23  LEU  37          HD23      LEU  37   1.311   4.857  -1.344
  303    H    ARG  38           H        ARG  38  -3.771   4.735  -3.257
  304    HA   ARG  38           HA       ARG  38  -3.448   6.866  -5.040
  305    HB2  ARG  38           HB2      ARG  38  -4.421   4.689  -5.619
  306    HB3  ARG  38           HB1      ARG  38  -5.835   5.072  -4.656
  307    HG2  ARG  38           HG2      ARG  38  -6.344   6.938  -6.165
  308    HG3  ARG  38           HG1      ARG  38  -4.937   6.515  -7.144
  309    HD2  ARG  38           HD2      ARG  38  -6.967   5.581  -8.108
  310    HD3  ARG  38           HD1      ARG  38  -5.890   4.298  -7.551
  311    HE   ARG  38           HE       ARG  38  -8.153   5.270  -5.960
  312   HH11  ARG  38          HH11      ARG  38  -6.384   2.557  -7.431
  313   HH12  ARG  38          HH12      ARG  38  -7.320   1.368  -6.696
  314   HH21  ARG  38          HH21      ARG  38  -9.443   3.567  -4.917
  315   HH22  ARG  38          HH22      ARG  38  -9.074   1.929  -5.227
  316    H    GLU  39           H        GLU  39  -5.743   6.442  -2.358
  317    HA   GLU  39           HA       GLU  39  -7.139   8.835  -2.994
  318    HB2  GLU  39           HB2      GLU  39  -7.057   7.285  -0.416
  319    HB3  GLU  39           HB1      GLU  39  -8.138   8.636  -0.721
  320    HG2  GLU  39           HG2      GLU  39  -9.126   7.353  -2.607
  321    HG3  GLU  39           HG1      GLU  39  -8.111   5.985  -2.151
  322    H    ARG  40           H        ARG  40  -4.375   8.100  -0.966
  323    HA   ARG  40           HA       ARG  40  -4.314  10.653   0.303
  324    HB2  ARG  40           HB2      ARG  40  -3.140   8.732   1.305
  325    HB3  ARG  40           HB1      ARG  40  -2.092   8.650  -0.099
  326    HG2  ARG  40           HG2      ARG  40  -1.188  10.853   0.431
  327    HG3  ARG  40           HG1      ARG  40  -2.238  10.942   1.845
  328    HD2  ARG  40           HD2      ARG  40  -0.215   8.770   1.392
  329    HD3  ARG  40           HD1      ARG  40   0.117  10.236   2.309
  330    HE   ARG  40           HE       ARG  40  -1.505   9.524   3.900
  331   HH11  ARG  40          HH11      ARG  40  -0.714   7.012   1.515
  332   HH12  ARG  40          HH12      ARG  40  -0.973   5.730   2.633
  333   HH21  ARG  40          HH21      ARG  40  -1.778   7.747   5.389
  334   HH22  ARG  40          HH22      ARG  40  -1.439   6.152   4.842
  335    H    GLU  41           H        GLU  41  -2.427   9.226  -2.348
  336    HA   GLU  41           HA       GLU  41  -1.076  11.629  -2.900
  337    HB2  GLU  41           HB2      GLU  41  -1.490   9.167  -4.589
  338    HB3  GLU  41           HB1      GLU  41  -0.469  10.516  -5.064
  339    HG2  GLU  41           HG2      GLU  41  -0.092   8.773  -2.641
  340    HG3  GLU  41           HG1      GLU  41   0.852   8.706  -4.127
  341    H    GLY  42           H        GLY  42  -4.124  10.297  -4.002
  342    HA2  GLY  42           HA2      GLY  42  -4.516  12.157  -6.099
  343    HA3  GLY  42           HA1      GLY  42  -5.772  11.209  -5.301
  344    H    ARG  43           H        ARG  43  -4.937  12.262  -2.689
  345    HA   ARG  43           HA       ARG  43  -6.499  14.703  -2.678
  346    HB2  ARG  43           HB2      ARG  43  -6.905  12.936  -1.024
  347    HB3  ARG  43           HB1      ARG  43  -5.246  13.033  -0.488
  348    HG2  ARG  43           HG2      ARG  43  -5.638  15.179   0.502
  349    HG3  ARG  43           HG1      ARG  43  -7.258  15.253  -0.201
  350    HD2  ARG  43           HD2      ARG  43  -6.329  13.137   1.733
  351    HD3  ARG  43           HD1      ARG  43  -7.252  14.569   2.191
  352    HE   ARG  43           HE       ARG  43  -9.003  13.769   0.695
  353   HH11  ARG  43          HH11      ARG  43  -6.721  11.359   1.943
  354   HH12  ARG  43          HH12      ARG  43  -7.811  10.059   1.891
  355   HH21  ARG  43          HH21      ARG  43 -10.505  11.965   0.587
  356   HH22  ARG  43          HH22      ARG  43 -10.022  10.411   1.057
  357    H    ARG  44           H        ARG  44  -3.355  13.911  -3.159
  358    HA   ARG  44           HA       ARG  44  -2.334  16.384  -2.005
  359    HB2  ARG  44           HB2      ARG  44  -0.929  13.851  -2.841
  360    HB3  ARG  44           HB1      ARG  44  -0.081  15.345  -2.477
  361    HG2  ARG  44           HG2      ARG  44  -0.897  15.298  -0.206
  362    HG3  ARG  44           HG1      ARG  44  -1.848  13.848  -0.554
  363    HD2  ARG  44           HD2      ARG  44   0.153  12.585  -0.976
  364    HD3  ARG  44           HD1      ARG  44   1.137  14.040  -0.837
  365    HE   ARG  44           HE       ARG  44  -0.161  13.868   1.533
  366   HH11  ARG  44          HH11      ARG  44   1.803  11.496  -0.254
  367   HH12  ARG  44          HH12      ARG  44   2.623  10.937   1.129
  368   HH21  ARG  44          HH21      ARG  44   0.939  13.062   3.428
  369   HH22  ARG  44          HH22      ARG  44   2.126  11.841   3.289
  370    H    GLU  45           H        GLU  45  -0.431  17.188  -3.414
  371    HA   GLU  45           HA       GLU  45  -1.330  17.223  -6.196
  372    HB2  GLU  45           HB2      GLU  45  -1.758  19.316  -4.914
  373    HB3  GLU  45           HB1      GLU  45  -0.039  19.437  -4.593
  374    HG2  GLU  45           HG2      GLU  45   0.430  19.818  -6.897
  375    HG3  GLU  45           HG1      GLU  45  -1.240  19.466  -7.344
  376    H    VAL  46           H        VAL  46   0.111  16.221  -7.434
  377    HA   VAL  46           HA       VAL  46   2.784  15.748  -6.402
  378    HB   VAL  46           HB       VAL  46   1.392  13.860  -7.307
  379   HG11  VAL  46          HG11      VAL  46   0.246  14.875  -9.109
  380   HG12  VAL  46          HG12      VAL  46   1.200  13.526  -9.727
  381   HG13  VAL  46          3HG1      VAL  46   1.756  15.182  -9.962
  382   HG21  VAL  46          HG21      VAL  46   4.003  14.335  -8.728
  383   HG22  VAL  46          HG22      VAL  46   3.178  12.781  -8.627
  384   HG23  VAL  46          HG23      VAL  46   3.780  13.553  -7.161
  385    H    ASP  47           H        ASP  47   4.650  16.376  -7.476
  386    HA   ASP  47           HA       ASP  47   4.282  18.590  -9.330
  387    HB2  ASP  47           HB2      ASP  47   6.670  17.665  -7.723
  388    HB3  ASP  47           HB1      ASP  47   6.795  18.893  -8.971
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1  14.964  10.539  -2.918
    2    H3   PRO   1           HT2      PRO   1  14.852   9.025  -3.512
    3    HA   PRO   1           HA       PRO   1  13.230   8.446  -2.267
    4    HB2  PRO   1           HB2      PRO   1  13.321  10.447  -0.179
    5    HB3  PRO   1           HB1      PRO   1  13.330   8.685  -0.035
    6    HG2  PRO   1           HG2      PRO   1  15.592  10.534   0.010
    7    HG3  PRO   1           HG1      PRO   1  15.534   8.827   0.473
    8    HD2  PRO   1           HD2      PRO   1  16.853   9.711  -1.758
    9    HD3  PRO   1           HD1      PRO   1  16.117   8.101  -1.648
   10    H    ARG   2           H        ARG   2  11.123   9.592  -1.867
   11    HA   ARG   2           HA       ARG   2  11.018  12.279  -2.964
   12    HB2  ARG   2           HB2      ARG   2   9.331   9.956  -3.966
   13    HB3  ARG   2           HB1      ARG   2   9.064  11.637  -4.384
   14    HG2  ARG   2           HG2      ARG   2  11.304  11.678  -5.443
   15    HG3  ARG   2           HG1      ARG   2  11.454   9.955  -5.115
   16    HD2  ARG   2           HD2      ARG   2   9.309  11.252  -6.799
   17    HD3  ARG   2           HD1      ARG   2  10.714  10.392  -7.418
   18    HE   ARG   2           HE       ARG   2   9.445   8.616  -5.788
   19   HH11  ARG   2          HH11      ARG   2   8.482  10.533  -8.614
   20   HH12  ARG   2          HH12      ARG   2   7.373   9.407  -9.206
   21   HH21  ARG   2          HH21      ARG   2   7.907   7.053  -6.587
   22   HH22  ARG   2          HH22      ARG   2   7.030   7.349  -8.024
   23    H    GLY   3           H        GLY   3   8.544  12.936  -2.763
   24    HA2  GLY   3           HA2      GLY   3   7.845  12.453   0.000
   25    HA3  GLY   3           HA1      GLY   3   7.050  13.583  -1.098
   26    H    SER   4           H        SER   4   7.307  10.949  -2.833
   27    HA   SER   4           HA       SER   4   4.691  10.249  -3.025
   28    HB2  SER   4           HB2      SER   4   7.126   8.569  -3.566
   29    HB3  SER   4           HB1      SER   4   5.543   8.409  -4.330
   30    HG   SER   4           HG       SER   4   6.131   9.820  -5.668
   31    HA   PRO   5           HA       PRO   5   4.367   7.904   0.866
   32    HB2  PRO   5           HB2      PRO   5   1.732   7.578   0.777
   33    HB3  PRO   5           HB1      PRO   5   2.449   9.159   1.174
   34    HG2  PRO   5           HG2      PRO   5   1.366   8.152  -1.434
   35    HG3  PRO   5           HG1      PRO   5   1.070   9.709  -0.647
   36    HD2  PRO   5           HD2      PRO   5   2.839   9.429  -2.628
   37    HD3  PRO   5           HD1      PRO   5   3.100  10.567  -1.293
   38    H    ARG   6           H        ARG   6   3.929   6.950  -2.242
   39    HA   ARG   6           HA       ARG   6   2.717   4.453  -2.103
   40    HB2  ARG   6           HB2      ARG   6   4.025   3.757  -4.065
   41    HB3  ARG   6           HB1      ARG   6   3.214   5.312  -4.267
   42    HG2  ARG   6           HG2      ARG   6   5.324   6.454  -3.948
   43    HG3  ARG   6           HG1      ARG   6   6.125   4.922  -3.609
   44    HD2  ARG   6           HD2      ARG   6   4.700   5.491  -6.187
   45    HD3  ARG   6           HD1      ARG   6   6.417   5.807  -5.969
   46    HE   ARG   6           HE       ARG   6   6.235   3.252  -5.218
   47   HH11  ARG   6          HH11      ARG   6   4.915   4.849  -8.088
   48   HH12  ARG   6          HH12      ARG   6   5.153   3.503  -9.110
   49   HH21  ARG   6          HH21      ARG   6   6.577   1.405  -6.647
   50   HH22  ARG   6          HH22      ARG   6   6.116   1.529  -8.287
   51    H    THR   7           H        THR   7   5.771   5.386  -0.959
   52    HA   THR   7           HA       THR   7   7.151   2.994  -0.815
   53    HB   THR   7           HB       THR   7   8.165   4.110   1.261
   54    HG1  THR   7           HG1      THR   7   7.543   6.406   1.292
   55   HG21  THR   7          HG21      THR   7   8.076   5.618  -1.365
   56   HG22  THR   7          HG22      THR   7   9.172   4.287  -0.971
   57   HG23  THR   7          HG23      THR   7   9.297   5.814  -0.110
   58    H    GLU   8           H        GLU   8   4.807   4.367   1.462
   59    HA   GLU   8           HA       GLU   8   4.842   2.300   3.404
   60    HB2  GLU   8           HB2      GLU   8   2.674   4.244   2.605
   61    HB3  GLU   8           HB1      GLU   8   2.582   3.203   4.014
   62    HG2  GLU   8           HG2      GLU   8   4.699   5.288   3.548
   63    HG3  GLU   8           HG1      GLU   8   3.261   5.510   4.547
   64    H    TYR   9           H        TYR   9   3.054   2.855   0.517
   65    HA   TYR   9           HA       TYR   9   1.159   0.794   0.687
   66    HB2  TYR   9           HB2      TYR   9   0.565   2.559  -0.659
   67    HB3  TYR   9           HB1      TYR   9   2.188   2.751  -1.275
   68    HD1  TYR   9           HD1      TYR   9  -1.067   1.371  -1.858
   69    HD2  TYR   9           HD2      TYR   9   2.966   1.266  -3.014
   70    HE1  TYR   9           HE1      TYR   9  -1.739   0.426  -4.013
   71    HE2  TYR   9           HE2      TYR   9   2.392   0.278  -5.169
   72    HH   TYR   9           HH       TYR   9  -0.745   0.280  -6.381
   73    H    GLU  10           H        GLU  10   4.277   1.074  -1.016
   74    HA   GLU  10           HA       GLU  10   4.137  -1.523  -2.144
   75    HB2  GLU  10           HB2      GLU  10   6.566   0.254  -1.761
   76    HB3  GLU  10           HB1      GLU  10   6.475  -1.182  -2.784
   77    HG2  GLU  10           HG2      GLU  10   4.803  -0.084  -4.177
   78    HG3  GLU  10           HG1      GLU  10   4.903   1.337  -3.137
   79    H    ALA  11           H        ALA  11   5.575  -0.188   0.775
   80    HA   ALA  11           HA       ALA  11   6.924  -2.478   1.644
   81    HB1  ALA  11           HB1      ALA  11   5.573  -0.353   3.317
   82    HB2  ALA  11           HB2      ALA  11   7.223  -0.282   2.702
   83    HB3  ALA  11           HB3      ALA  11   6.780  -1.502   3.894
   84    H    CYS  12           H        CYS  12   3.618  -1.410   2.022
   85    HA   CYS  12           HA       CYS  12   2.586  -3.394   3.677
   86    HB2  CYS  12           HB2      CYS  12   1.278  -1.447   3.149
   87    HB3  CYS  12           HB1      CYS  12   1.313  -1.823   1.434
   88    H    ARG  13           H        ARG  13   3.060  -3.390   0.177
   89    HA   ARG  13           HA       ARG  13   1.686  -5.802  -0.349
   90    HB2  ARG  13           HB2      ARG  13   3.939  -4.585  -1.946
   91    HB3  ARG  13           HB1      ARG  13   2.798  -5.793  -2.514
   92    HG2  ARG  13           HG2      ARG  13   0.977  -4.136  -2.199
   93    HG3  ARG  13           HG1      ARG  13   2.200  -2.938  -1.781
   94    HD2  ARG  13           HD2      ARG  13   1.922  -4.402  -4.402
   95    HD3  ARG  13           HD1      ARG  13   1.579  -2.703  -4.106
   96    HE   ARG  13           HE       ARG  13   4.287  -3.526  -3.534
   97   HH11  ARG  13          HH11      ARG  13   2.109  -2.241  -6.012
   98   HH12  ARG  13          HH12      ARG  13   3.331  -1.588  -6.974
   99   HH21  ARG  13          HH21      ARG  13   5.985  -2.688  -4.859
  100   HH22  ARG  13          HH22      ARG  13   5.639  -1.838  -6.286
  101    H    VAL  14           H        VAL  14   5.169  -5.107  -0.072
  102    HA   VAL  14           HA       VAL  14   5.939  -7.805  -0.300
  103    HB   VAL  14           HB       VAL  14   7.436  -5.896  -0.733
  104   HG11  VAL  14          HG11      VAL  14   6.954  -4.437   1.062
  105   HG12  VAL  14          HG12      VAL  14   8.683  -4.798   1.057
  106   HG13  VAL  14          3HG1      VAL  14   7.617  -5.575   2.231
  107   HG21  VAL  14          HG21      VAL  14   8.420  -8.085  -0.514
  108   HG22  VAL  14          HG22      VAL  14   8.521  -7.897   1.236
  109   HG23  VAL  14          HG23      VAL  14   9.510  -6.885   0.183
  110    H    ARG  15           H        ARG  15   5.224  -5.812   2.403
  111    HA   ARG  15           HA       ARG  15   5.890  -7.383   4.608
  112    HB2  ARG  15           HB2      ARG  15   4.911  -5.131   4.792
  113    HB3  ARG  15           HB1      ARG  15   3.371  -5.760   4.231
  114    HG2  ARG  15           HG2      ARG  15   3.446  -7.302   6.257
  115    HG3  ARG  15           HG1      ARG  15   4.753  -6.268   6.841
  116    HD2  ARG  15           HD2      ARG  15   2.668  -5.507   7.773
  117    HD3  ARG  15           HD1      ARG  15   3.256  -4.319   6.610
  118    HE   ARG  15           HE       ARG  15   1.482  -6.185   5.394
  119   HH11  ARG  15          HH11      ARG  15   1.570  -3.222   7.309
  120   HH12  ARG  15          HH12      ARG  15  -0.009  -2.750   6.934
  121   HH21  ARG  15          HH21      ARG  15  -0.706  -5.555   4.842
  122   HH22  ARG  15          HH22      ARG  15  -1.349  -4.114   5.470
  123    H    CYS  16           H        CYS  16   2.846  -7.367   2.789
  124    HA   CYS  16           HA       CYS  16   1.782  -9.507   4.260
  125    HB2  CYS  16           HB2      CYS  16   0.904  -8.255   1.671
  126    HB3  CYS  16           HB1      CYS  16  -0.002  -9.525   2.497
  127    H    GLN  17           H        GLN  17   3.779  -9.429   1.437
  128    HA   GLN  17           HA       GLN  17   3.272 -12.058   0.532
  129    HB2  GLN  17           HB2      GLN  17   5.825 -10.446   0.372
  130    HB3  GLN  17           HB1      GLN  17   5.487 -11.898  -0.558
  131    HG2  GLN  17           HG2      GLN  17   3.660 -10.759  -1.690
  132    HG3  GLN  17           HG1      GLN  17   3.957  -9.315  -0.729
  133   HE21  GLN  17          1HE2      GLN  17   6.901  -9.647  -0.921
  134   HE22  GLN  17          2HE2      GLN  17   7.299  -9.195  -2.527
  135    H    VAL  18           H        VAL  18   5.388 -10.709   2.965
  136    HA   VAL  18           HA       VAL  18   6.619 -13.267   3.534
  137    HB   VAL  18           HB       VAL  18   6.959 -10.614   4.942
  138   HG11  VAL  18          HG11      VAL  18   9.024 -11.575   5.840
  139   HG12  VAL  18          HG12      VAL  18   8.656 -13.108   5.055
  140   HG13  VAL  18          3HG1      VAL  18   7.612 -12.506   6.342
  141   HG21  VAL  18          HG21      VAL  18   9.039 -10.429   3.674
  142   HG22  VAL  18          HG22      VAL  18   7.629 -10.465   2.616
  143   HG23  VAL  18          HG23      VAL  18   8.635 -11.903   2.795
  144    H    ALA  19           H        ALA  19   4.737 -10.877   5.377
  145    HA   ALA  19           HA       ALA  19   4.547 -12.576   7.654
  146    HB1  ALA  19           HB1      ALA  19   3.086 -10.008   7.091
  147    HB2  ALA  19           HB2      ALA  19   4.673 -10.145   7.848
  148    HB3  ALA  19           HB3      ALA  19   3.251 -10.802   8.656
  149    H    GLU  20           H        GLU  20   2.148 -11.519   5.224
  150    HA   GLU  20           HA       GLU  20   0.057 -12.971   6.559
  151    HB2  GLU  20           HB2      GLU  20   0.159 -11.657   3.841
  152    HB3  GLU  20           HB1      GLU  20  -1.266 -12.423   4.526
  153    HG2  GLU  20           HG2      GLU  20   0.152 -10.135   5.854
  154    HG3  GLU  20           HG1      GLU  20  -1.152  -9.913   4.690
  155    H    HIS  21           H        HIS  21   1.887 -13.321   3.579
  156    HA   HIS  21           HA       HIS  21   2.433 -15.021   2.234
  157    HB2  HIS  21           HB2      HIS  21   3.375 -16.025   4.312
  158    HB3  HIS  21           HB1      HIS  21   1.837 -16.820   4.612
  159    HD1  HIS  21           HD1      HIS  21   1.567 -19.136   3.573
  160    HD2  HIS  21           HD2      HIS  21   4.722 -16.988   1.926
  161    HE1  HIS  21           HE1      HIS  21   2.803 -20.742   2.083
  162    H    GLY  22           H        GLY  22   1.053 -15.084   0.621
  163    HA2  GLY  22           HA2      GLY  22  -0.629 -17.011  -0.038
  164    HA3  GLY  22           HA1      GLY  22  -1.650 -16.037   1.016
  165    H    VAL  23           H        VAL  23  -2.033 -16.493  -1.766
  166    HA   VAL  23           HA       VAL  23  -1.098 -14.234  -3.254
  167    HB   VAL  23           HB       VAL  23  -3.376 -16.118  -3.943
  168   HG11  VAL  23          HG11      VAL  23  -2.955 -15.436  -6.265
  169   HG12  VAL  23          HG12      VAL  23  -1.739 -14.291  -5.700
  170   HG13  VAL  23          3HG1      VAL  23  -3.431 -14.068  -5.255
  171   HG21  VAL  23          HG21      VAL  23  -1.299 -17.356  -3.588
  172   HG22  VAL  23          HG22      VAL  23  -0.456 -16.280  -4.703
  173   HG23  VAL  23          HG23      VAL  23  -1.732 -17.341  -5.298
  174    H    GLU  24           H        GLU  24  -4.305 -15.168  -2.003
  175    HA   GLU  24           HA       GLU  24  -5.552 -12.745  -2.772
  176    HB2  GLU  24           HB2      GLU  24  -6.446 -14.736  -0.666
  177    HB3  GLU  24           HB1      GLU  24  -7.428 -13.464  -1.372
  178    HG2  GLU  24           HG2      GLU  24  -7.242 -14.554  -3.557
  179    HG3  GLU  24           HG1      GLU  24  -6.305 -15.849  -2.812
  180    H    ARG  25           H        ARG  25  -3.861 -13.826   0.021
  181    HA   ARG  25           HA       ARG  25  -4.444 -11.812   1.879
  182    HB2  ARG  25           HB2      ARG  25  -1.907 -13.360   1.385
  183    HB3  ARG  25           HB1      ARG  25  -2.057 -12.195   2.686
  184    HG2  ARG  25           HG2      ARG  25  -3.808 -14.628   2.358
  185    HG3  ARG  25           HG1      ARG  25  -2.381 -14.549   3.389
  186    HD2  ARG  25           HD2      ARG  25  -3.418 -12.696   4.640
  187    HD3  ARG  25           HD1      ARG  25  -4.856 -12.842   3.638
  188    HE   ARG  25           HE       ARG  25  -4.898 -15.214   4.523
  189   HH11  ARG  25          HH11      ARG  25  -3.731 -12.412   6.446
  190   HH12  ARG  25          HH12      ARG  25  -4.098 -13.140   7.923
  191   HH21  ARG  25          HH21      ARG  25  -5.452 -16.137   6.617
  192   HH22  ARG  25          HH22      ARG  25  -5.098 -15.264   8.032
  193    H    GLN  26           H        GLN  26  -1.898 -11.931  -0.571
  194    HA   GLN  26           HA       GLN  26  -0.877  -9.348  -0.056
  195    HB2  GLN  26           HB2      GLN  26   0.429 -11.025  -1.225
  196    HB3  GLN  26           HB1      GLN  26  -0.721 -11.029  -2.557
  197    HG2  GLN  26           HG2      GLN  26  -0.178  -8.628  -2.936
  198    HG3  GLN  26           HG1      GLN  26   1.081  -8.772  -1.715
  199   HE21  GLN  26          1HE2      GLN  26   1.757 -11.500  -2.551
  200   HE22  GLN  26          2HE2      GLN  26   2.628 -11.309  -4.023
  201    H    ARG  27           H        ARG  27  -3.185 -10.596  -2.405
  202    HA   ARG  27           HA       ARG  27  -3.567  -8.178  -3.792
  203    HB2  ARG  27           HB2      ARG  27  -5.444 -10.525  -3.514
  204    HB3  ARG  27           HB1      ARG  27  -5.648  -9.213  -4.667
  205    HG2  ARG  27           HG2      ARG  27  -3.312 -11.119  -4.580
  206    HG3  ARG  27           HG1      ARG  27  -4.667 -11.202  -5.706
  207    HD2  ARG  27           HD2      ARG  27  -4.059  -9.058  -6.649
  208    HD3  ARG  27           HD1      ARG  27  -2.764  -8.868  -5.473
  209    HE   ARG  27           HE       ARG  27  -1.920 -11.031  -6.537
  210   HH11  ARG  27          HH11      ARG  27  -3.507  -8.388  -8.306
  211   HH12  ARG  27          HH12      ARG  27  -2.644  -8.632  -9.742
  212   HH21  ARG  27          HH21      ARG  27  -0.756 -11.402  -8.552
  213   HH22  ARG  27          HH22      ARG  27  -1.074 -10.398  -9.888
  214    H    ARG  28           H        ARG  28  -5.206  -9.481  -0.964
  215    HA   ARG  28           HA       ARG  28  -7.074  -7.373  -0.877
  216    HB2  ARG  28           HB2      ARG  28  -7.521  -9.480   0.250
  217    HB3  ARG  28           HB1      ARG  28  -6.145  -9.228   1.311
  218    HG2  ARG  28           HG2      ARG  28  -7.210  -7.449   2.434
  219    HG3  ARG  28           HG1      ARG  28  -8.477  -7.345   1.211
  220    HD2  ARG  28           HD2      ARG  28  -8.007  -9.726   2.988
  221    HD3  ARG  28           HD1      ARG  28  -9.197  -8.462   3.298
  222    HE   ARG  28           HE       ARG  28  -9.538  -9.491   0.712
  223   HH11  ARG  28          HH11      ARG  28 -10.096 -10.407   4.099
  224   HH12  ARG  28          HH12      ARG  28 -11.396 -11.446   3.734
  225   HH21  ARG  28          HH21      ARG  28 -11.346 -10.908   0.225
  226   HH22  ARG  28          HH22      ARG  28 -12.112 -11.737   1.476
  227    H    CYS  29           H        CYS  29  -3.866  -7.823   0.636
  228    HA   CYS  29           HA       CYS  29  -3.866  -5.436   2.080
  229    HB2  CYS  29           HB2      CYS  29  -1.620  -6.984   0.800
  230    HB3  CYS  29           HB1      CYS  29  -1.370  -5.581   1.828
  231    H    GLN  30           H        GLN  30  -3.043  -6.160  -1.275
  232    HA   GLN  30           HA       GLN  30  -2.148  -3.685  -2.117
  233    HB2  GLN  30           HB2      GLN  30  -2.067  -5.587  -3.608
  234    HB3  GLN  30           HB1      GLN  30  -3.816  -5.745  -3.573
  235    HG2  GLN  30           HG2      GLN  30  -3.131  -4.774  -5.666
  236    HG3  GLN  30           HG1      GLN  30  -4.019  -3.580  -4.726
  237   HE21  GLN  30          1HE2      GLN  30  -3.108  -1.817  -5.811
  238   HE22  GLN  30          2HE2      GLN  30  -1.441  -1.423  -5.618
  239    H    GLN  31           H        GLN  31  -5.460  -4.942  -2.115
  240    HA   GLN  31           HA       GLN  31  -6.762  -2.680  -3.074
  241    HB2  GLN  31           HB2      GLN  31  -7.807  -4.677  -1.073
  242    HB3  GLN  31           HB1      GLN  31  -8.780  -3.568  -2.027
  243    HG2  GLN  31           HG2      GLN  31  -8.081  -4.667  -4.064
  244    HG3  GLN  31           HG1      GLN  31  -7.034  -5.743  -3.145
  245   HE21  GLN  31          1HE2      GLN  31 -10.219  -4.746  -2.096
  246   HE22  GLN  31          2HE2      GLN  31 -10.955  -6.294  -2.272
  247    H    VAL  32           H        VAL  32  -6.183  -3.604   0.295
  248    HA   VAL  32           HA       VAL  32  -7.471  -1.365   1.442
  249    HB   VAL  32           HB       VAL  32  -5.280  -3.056   2.679
  250   HG11  VAL  32          HG11      VAL  32  -7.382  -1.313   3.958
  251   HG12  VAL  32          HG12      VAL  32  -5.646  -0.997   3.909
  252   HG13  VAL  32          3HG1      VAL  32  -6.271  -2.376   4.818
  253   HG21  VAL  32          HG21      VAL  32  -7.098  -4.354   3.690
  254   HG22  VAL  32          HG22      VAL  32  -7.135  -4.444   1.927
  255   HG23  VAL  32          HG23      VAL  32  -8.270  -3.400   2.783
  256    H    CYS  33           H        CYS  33  -4.023  -2.007   0.827
  257    HA   CYS  33           HA       CYS  33  -3.311   0.526   1.876
  258    HB2  CYS  33           HB2      CYS  33  -1.666  -1.556   0.439
  259    HB3  CYS  33           HB1      CYS  33  -0.999  -0.078   1.141
  260    H    GLU  34           H        GLU  34  -4.099  -0.602  -1.325
  261    HA   GLU  34           HA       GLU  34  -3.015   1.641  -2.705
  262    HB2  GLU  34           HB2      GLU  34  -3.722  -0.552  -3.746
  263    HB3  GLU  34           HB1      GLU  34  -5.382  -0.045  -3.496
  264    HG2  GLU  34           HG2      GLU  34  -4.871   1.975  -4.875
  265    HG3  GLU  34           HG1      GLU  34  -3.333   1.216  -5.282
  266    H    LYS  35           H        LYS  35  -6.129   0.815  -1.294
  267    HA   LYS  35           HA       LYS  35  -7.496   3.141  -2.061
  268    HB2  LYS  35           HB2      LYS  35  -8.616   1.124  -1.155
  269    HB3  LYS  35           HB1      LYS  35  -7.898   1.451   0.414
  270    HG2  LYS  35           HG2      LYS  35  -9.194   3.474   0.640
  271    HG3  LYS  35           HG1      LYS  35  -9.822   3.294  -0.998
  272    HD2  LYS  35           HD2      LYS  35 -11.491   2.557   0.611
  273    HD3  LYS  35           HD1      LYS  35 -10.906   1.191  -0.328
  274    HE2  LYS  35           HE2      LYS  35  -9.407   0.578   1.532
  275    HE3  LYS  35           HE1      LYS  35 -10.051   1.929   2.462
  276    HZ1  LYS  35           HZ1      LYS  35 -11.120  -0.134   3.072
  277    HZ2  LYS  35           HZ2      LYS  35 -11.593  -0.403   1.477
  278    HZ3  LYS  35           HZ3      LYS  35 -12.240   0.896   2.344
  279    H    ARG  36           H        ARG  36  -5.571   2.364   0.778
  280    HA   ARG  36           HA       ARG  36  -5.835   4.913   1.946
  281    HB2  ARG  36           HB2      ARG  36  -3.817   2.727   2.402
  282    HB3  ARG  36           HB1      ARG  36  -3.764   4.239   3.294
  283    HG2  ARG  36           HG2      ARG  36  -6.128   3.786   4.013
  284    HG3  ARG  36           HG1      ARG  36  -5.963   2.187   3.291
  285    HD2  ARG  36           HD2      ARG  36  -4.166   3.288   5.442
  286    HD3  ARG  36           HD1      ARG  36  -5.556   2.260   5.750
  287    HE   ARG  36           HE       ARG  36  -4.138   0.808   4.017
  288   HH11  ARG  36          HH11      ARG  36  -3.193   2.473   7.010
  289   HH12  ARG  36          HH12      ARG  36  -2.037   1.321   7.485
  290   HH21  ARG  36          HH21      ARG  36  -2.497  -0.849   4.707
  291   HH22  ARG  36          HH22      ARG  36  -1.638  -0.568   6.134
  292    H    LEU  37           H        LEU  37  -3.484   3.621  -0.342
  293    HA   LEU  37           HA       LEU  37  -1.798   5.863  -0.423
  294    HB2  LEU  37           HB2      LEU  37  -1.113   3.800  -1.498
  295    HB3  LEU  37           HB1      LEU  37  -2.508   3.831  -2.555
  296    HG   LEU  37           HG       LEU  37  -1.636   5.771  -3.695
  297   HD11  LEU  37          HD11      LEU  37   0.785   5.447  -1.907
  298   HD12  LEU  37          HD12      LEU  37  -0.335   6.809  -1.921
  299   HD13  LEU  37          HD13      LEU  37   0.709   6.512  -3.311
  300   HD21  LEU  37          HD21      LEU  37   0.330   3.503  -3.569
  301   HD22  LEU  37          HD22      LEU  37   0.259   4.718  -4.846
  302   HD23  LEU  37          HD23      LEU  37  -1.096   3.616  -4.601
  303    H    ARG  38           H        ARG  38  -4.773   5.084  -2.087
  304    HA   ARG  38           HA       ARG  38  -4.805   7.291  -3.806
  305    HB2  ARG  38           HB2      ARG  38  -6.136   5.210  -4.081
  306    HB3  ARG  38           HB1      ARG  38  -7.171   5.732  -2.766
  307    HG2  ARG  38           HG2      ARG  38  -8.214   6.180  -4.914
  308    HG3  ARG  38           HG1      ARG  38  -7.836   7.685  -4.073
  309    HD2  ARG  38           HD2      ARG  38  -7.287   7.752  -6.484
  310    HD3  ARG  38           HD1      ARG  38  -5.890   8.036  -5.455
  311    HE   ARG  38           HE       ARG  38  -6.170   5.289  -6.181
  312   HH11  ARG  38          HH11      ARG  38  -5.097   8.389  -7.515
  313   HH12  ARG  38          HH12      ARG  38  -3.865   7.686  -8.468
  314   HH21  ARG  38          HH21      ARG  38  -4.488   4.359  -7.518
  315   HH22  ARG  38          HH22      ARG  38  -3.507   5.384  -8.467
  316    H    GLU  39           H        GLU  39  -5.791   6.935  -0.475
  317    HA   GLU  39           HA       GLU  39  -7.205   9.394  -0.225
  318    HB2  GLU  39           HB2      GLU  39  -5.548   7.969   1.863
  319    HB3  GLU  39           HB1      GLU  39  -6.743   9.214   2.175
  320    HG2  GLU  39           HG2      GLU  39  -8.494   7.719   1.347
  321    HG3  GLU  39           HG1      GLU  39  -7.276   6.467   1.075
  322    H    ARG  40           H        ARG  40  -3.868   8.419   0.143
  323    HA   ARG  40           HA       ARG  40  -2.823  10.944   0.928
  324    HB2  ARG  40           HB2      ARG  40  -1.366   8.702  -0.490
  325    HB3  ARG  40           HB1      ARG  40  -0.640  10.024   0.406
  326    HG2  ARG  40           HG2      ARG  40  -2.312   7.803   1.564
  327    HG3  ARG  40           HG1      ARG  40  -0.561   7.972   1.680
  328    HD2  ARG  40           HD2      ARG  40  -0.898  10.104   2.883
  329    HD3  ARG  40           HD1      ARG  40  -2.641   9.816   2.847
  330    HE   ARG  40           HE       ARG  40  -0.939   7.783   4.018
  331   HH11  ARG  40          HH11      ARG  40  -3.300  10.368   4.531
  332   HH12  ARG  40          HH12      ARG  40  -3.529  10.059   6.178
  333   HH21  ARG  40          HH21      ARG  40  -1.241   7.331   6.313
  334   HH22  ARG  40          HH22      ARG  40  -2.334   8.272   7.223
  335    H    GLU  41           H        GLU  41  -3.195   9.301  -2.150
  336    HA   GLU  41           HA       GLU  41  -2.088  11.128  -3.933
  337    HB2  GLU  41           HB2      GLU  41  -4.564   9.420  -4.215
  338    HB3  GLU  41           HB1      GLU  41  -3.828  10.304  -5.536
  339    HG2  GLU  41           HG2      GLU  41  -2.454   8.150  -3.959
  340    HG3  GLU  41           HG1      GLU  41  -3.261   7.910  -5.510
  341    H    GLY  42           H        GLY  42  -5.368  10.966  -2.623
  342    HA2  GLY  42           HA2      GLY  42  -6.360  13.266  -3.914
  343    HA3  GLY  42           HA1      GLY  42  -7.069  12.468  -2.521
  344    H    ARG  43           H        ARG  43  -4.417  12.900  -1.082
  345    HA   ARG  43           HA       ARG  43  -5.213  15.286   0.189
  346    HB2  ARG  43           HB2      ARG  43  -4.022  13.462   1.377
  347    HB3  ARG  43           HB1      ARG  43  -2.565  13.855   0.480
  348    HG2  ARG  43           HG2      ARG  43  -2.521  14.802   2.750
  349    HG3  ARG  43           HG1      ARG  43  -2.492  16.054   1.504
  350    HD2  ARG  43           HD2      ARG  43  -4.841  16.470   1.785
  351    HD3  ARG  43           HD1      ARG  43  -4.980  15.135   2.926
  352    HE   ARG  43           HE       ARG  43  -3.102  17.024   3.819
  353   HH11  ARG  43          HH11      ARG  43  -6.566  16.602   3.361
  354   HH12  ARG  43          HH12      ARG  43  -7.047  17.619   4.638
  355   HH21  ARG  43          HH21      ARG  43  -3.750  18.502   5.616
  356   HH22  ARG  43          HH22      ARG  43  -5.400  18.716   5.944
  357    H    ARG  44           H        ARG  44  -3.030  14.670  -2.415
  358    HA   ARG  44           HA       ARG  44  -1.922  17.364  -2.151
  359    HB2  ARG  44           HB2      ARG  44  -0.305  16.764  -3.846
  360    HB3  ARG  44           HB1      ARG  44  -0.374  15.473  -2.666
  361    HG2  ARG  44           HG2      ARG  44  -1.900  14.264  -4.281
  362    HG3  ARG  44           HG1      ARG  44  -1.455  15.496  -5.466
  363    HD2  ARG  44           HD2      ARG  44  -0.017  13.582  -5.744
  364    HD3  ARG  44           HD1      ARG  44   0.929  14.919  -5.084
  365    HE   ARG  44           HE       ARG  44   0.730  13.891  -2.910
  366   HH11  ARG  44          HH11      ARG  44   0.441  11.824  -5.737
  367   HH12  ARG  44          HH12      ARG  44   0.360  10.372  -4.869
  368   HH21  ARG  44          HH21      ARG  44   0.663  11.912  -1.684
  369   HH22  ARG  44          HH22      ARG  44   0.529  10.428  -2.532
  370    H    GLU  45           H        GLU  45  -4.654  16.900  -2.705
  371    HA   GLU  45           HA       GLU  45  -5.473  17.290  -5.309
  372    HB2  GLU  45           HB2      GLU  45  -7.511  18.299  -4.289
  373    HB3  GLU  45           HB1      GLU  45  -7.051  16.763  -3.572
  374    HG2  GLU  45           HG2      GLU  45  -6.019  17.977  -1.687
  375    HG3  GLU  45           HG1      GLU  45  -6.553  19.494  -2.406
  376    H    VAL  46           H        VAL  46  -5.689  19.061  -6.593
  377    HA   VAL  46           HA       VAL  46  -4.263  21.372  -5.626
  378    HB   VAL  46           HB       VAL  46  -4.238  22.165  -8.026
  379   HG11  VAL  46          HG11      VAL  46  -2.978  19.498  -7.416
  380   HG12  VAL  46          HG12      VAL  46  -2.312  21.086  -7.030
  381   HG13  VAL  46          3HG1      VAL  46  -2.480  20.582  -8.714
  382   HG21  VAL  46          HG21      VAL  46  -4.675  20.546  -9.800
  383   HG22  VAL  46          HG22      VAL  46  -6.143  20.810  -8.853
  384   HG23  VAL  46          HG23      VAL  46  -5.182  19.352  -8.608
  385    H    ASP  47           H        ASP  47  -5.576  22.429  -4.426
  386    HA   ASP  47           HA       ASP  47  -8.119  23.226  -5.525
  387    HB2  ASP  47           HB2      ASP  47  -8.621  24.221  -3.285
  388    HB3  ASP  47           HB1      ASP  47  -8.225  22.523  -3.171
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1  13.798   9.656   8.510
    2    H3   PRO   1           HT2      PRO   1  13.912  11.147   9.140
    3    HA   PRO   1           HA       PRO   1  12.860  12.047   7.634
    4    HB2  PRO   1           HB2      PRO   1  13.465  10.801   5.193
    5    HB3  PRO   1           HB1      PRO   1  14.096  12.350   5.772
    6    HG2  PRO   1           HG2      PRO   1  15.345   9.665   5.845
    7    HG3  PRO   1           HG1      PRO   1  16.109  11.260   5.770
    8    HD2  PRO   1           HD2      PRO   1  16.095   9.776   8.037
    9    HD3  PRO   1           HD1      PRO   1  16.039  11.548   8.062
   10    H    ARG   2           H        ARG   2  11.238  11.296   5.810
   11    HA   ARG   2           HA       ARG   2  10.038   8.802   6.775
   12    HB2  ARG   2           HB2      ARG   2   8.800  11.087   5.223
   13    HB3  ARG   2           HB1      ARG   2   7.950   9.631   5.711
   14    HG2  ARG   2           HG2      ARG   2   8.336  10.223   8.067
   15    HG3  ARG   2           HG1      ARG   2   9.136  11.703   7.544
   16    HD2  ARG   2           HD2      ARG   2   6.270  10.944   6.987
   17    HD3  ARG   2           HD1      ARG   2   6.807  12.128   8.174
   18    HE   ARG   2           HE       ARG   2   7.659  12.615   5.450
   19   HH11  ARG   2          HH11      ARG   2   5.178  13.347   7.875
   20   HH12  ARG   2          HH12      ARG   2   4.668  14.766   7.099
   21   HH21  ARG   2          HH21      ARG   2   6.958  14.470   4.409
   22   HH22  ARG   2          HH22      ARG   2   5.725  15.462   5.042
   23    H    GLY   3           H        GLY   3   8.677   7.795   4.889
   24    HA2  GLY   3           HA2      GLY   3  10.606   7.323   2.759
   25    HA3  GLY   3           HA1      GLY   3   9.244   6.291   3.177
   26    H    SER   4           H        SER   4   9.873   7.158   0.575
   27    HA   SER   4           HA       SER   4   8.199   9.283  -0.209
   28    HB2  SER   4           HB2      SER   4   9.144   6.928  -1.865
   29    HB3  SER   4           HB1      SER   4   8.724   8.551  -2.423
   30    HG   SER   4           HG       SER   4  11.005   7.965  -2.153
   31    HA   PRO   5           HA       PRO   5   4.189   7.391   0.131
   32    HB2  PRO   5           HB2      PRO   5   3.089   8.313  -2.272
   33    HB3  PRO   5           HB1      PRO   5   3.046   9.146  -0.720
   34    HG2  PRO   5           HG2      PRO   5   4.883   9.526  -3.028
   35    HG3  PRO   5           HG1      PRO   5   4.231  10.731  -1.905
   36    HD2  PRO   5           HD2      PRO   5   6.762   9.886  -1.739
   37    HD3  PRO   5           HD1      PRO   5   5.812  10.242  -0.281
   38    H    ARG   6           H        ARG   6   5.724   7.065  -3.072
   39    HA   ARG   6           HA       ARG   6   4.084   4.900  -3.894
   40    HB2  ARG   6           HB2      ARG   6   5.730   6.473  -5.239
   41    HB3  ARG   6           HB1      ARG   6   6.883   5.183  -4.914
   42    HG2  ARG   6           HG2      ARG   6   5.917   4.869  -7.087
   43    HG3  ARG   6           HG1      ARG   6   5.298   3.605  -6.016
   44    HD2  ARG   6           HD2      ARG   6   3.541   4.658  -7.454
   45    HD3  ARG   6           HD1      ARG   6   3.216   4.782  -5.726
   46    HE   ARG   6           HE       ARG   6   4.505   7.007  -7.147
   47   HH11  ARG   6          HH11      ARG   6   1.580   5.835  -5.487
   48   HH12  ARG   6          HH12      ARG   6   1.084   7.428  -5.062
   49   HH21  ARG   6          HH21      ARG   6   3.735   9.115  -6.560
   50   HH22  ARG   6          HH22      ARG   6   2.308   9.267  -5.616
   51    H    THR   7           H        THR   7   7.211   5.097  -2.264
   52    HA   THR   7           HA       THR   7   7.585   2.290  -2.257
   53    HB   THR   7           HB       THR   7   9.408   2.823  -0.547
   54    HG1  THR   7           HG1      THR   7   8.205   5.047  -0.216
   55   HG21  THR   7          HG21      THR   7  10.876   3.840  -2.227
   56   HG22  THR   7          HG22      THR   7   9.462   4.232  -3.209
   57   HG23  THR   7          HG23      THR   7   9.888   2.546  -2.903
   58    H    GLU   8           H        GLU   8   6.037   4.553  -0.117
   59    HA   GLU   8           HA       GLU   8   5.772   3.012   2.217
   60    HB2  GLU   8           HB2      GLU   8   5.196   5.443   1.941
   61    HB3  GLU   8           HB1      GLU   8   3.814   4.948   0.976
   62    HG2  GLU   8           HG2      GLU   8   3.150   5.550   3.240
   63    HG3  GLU   8           HG1      GLU   8   2.833   3.849   2.901
   64    H    TYR   9           H        TYR   9   3.821   3.303  -0.702
   65    HA   TYR   9           HA       TYR   9   1.812   1.508  -0.058
   66    HB2  TYR   9           HB2      TYR   9   1.305   3.004  -1.721
   67    HB3  TYR   9           HB1      TYR   9   2.883   2.878  -2.473
   68    HD1  TYR   9           HD1      TYR   9   3.264   1.469  -4.157
   69    HD2  TYR   9           HD2      TYR   9  -0.354   1.179  -2.056
   70    HE1  TYR   9           HE1      TYR   9   2.420  -0.095  -5.902
   71    HE2  TYR   9           HE2      TYR   9  -1.257  -0.382  -3.755
   72    HH   TYR   9           HH       TYR   9  -0.811  -0.896  -6.171
   73    H    GLU  10           H        GLU  10   4.836   1.147  -1.893
   74    HA   GLU  10           HA       GLU  10   4.506  -1.544  -2.581
   75    HB2  GLU  10           HB2      GLU  10   6.184  -0.170  -3.682
   76    HB3  GLU  10           HB1      GLU  10   7.062   0.017  -2.168
   77    HG2  GLU  10           HG2      GLU  10   7.520  -2.371  -2.124
   78    HG3  GLU  10           HG1      GLU  10   6.619  -2.574  -3.621
   79    H    ALA  11           H        ALA  11   6.168  -0.079   0.175
   80    HA   ALA  11           HA       ALA  11   7.159  -2.368   1.379
   81    HB1  ALA  11           HB1      ALA  11   7.793  -0.123   2.051
   82    HB2  ALA  11           HB2      ALA  11   7.223  -1.046   3.443
   83    HB3  ALA  11           HB3      ALA  11   6.178   0.160   2.690
   84    H    CYS  12           H        CYS  12   4.009  -0.854   1.694
   85    HA   CYS  12           HA       CYS  12   2.980  -2.463   3.748
   86    HB2  CYS  12           HB2      CYS  12   2.011  -0.305   2.874
   87    HB3  CYS  12           HB1      CYS  12   1.447  -1.195   1.471
   88    H    ARG  13           H        ARG  13   3.069  -2.869   0.252
   89    HA   ARG  13           HA       ARG  13   1.477  -5.218   0.090
   90    HB2  ARG  13           HB2      ARG  13   3.613  -4.137  -1.768
   91    HB3  ARG  13           HB1      ARG  13   2.602  -5.520  -2.142
   92    HG2  ARG  13           HG2      ARG  13   0.628  -4.117  -2.130
   93    HG3  ARG  13           HG1      ARG  13   1.591  -2.727  -1.631
   94    HD2  ARG  13           HD2      ARG  13   1.109  -2.675  -4.041
   95    HD3  ARG  13           HD1      ARG  13   2.834  -2.808  -3.725
   96    HE   ARG  13           HE       ARG  13   2.097  -5.371  -4.045
   97   HH11  ARG  13          HH11      ARG  13   1.261  -2.559  -6.104
   98   HH12  ARG  13          HH12      ARG  13   1.463  -3.409  -7.543
   99   HH21  ARG  13          HH21      ARG  13   2.278  -6.530  -6.100
  100   HH22  ARG  13          HH22      ARG  13   2.022  -5.690  -7.557
  101    H    VAL  14           H        VAL  14   4.960  -4.635   0.119
  102    HA   VAL  14           HA       VAL  14   5.821  -7.288   0.008
  103    HB   VAL  14           HB       VAL  14   7.235  -4.920   1.285
  104   HG11  VAL  14          HG11      VAL  14   9.301  -6.160   0.928
  105   HG12  VAL  14          HG12      VAL  14   8.389  -7.516   0.268
  106   HG13  VAL  14          3HG1      VAL  14   8.207  -7.081   1.966
  107   HG21  VAL  14          HG21      VAL  14   8.397  -4.728  -0.863
  108   HG22  VAL  14          HG22      VAL  14   6.656  -4.515  -1.046
  109   HG23  VAL  14          HG23      VAL  14   7.411  -6.039  -1.510
  110    H    ARG  15           H        ARG  15   5.031  -5.248   2.755
  111    HA   ARG  15           HA       ARG  15   5.769  -6.820   4.892
  112    HB2  ARG  15           HB2      ARG  15   4.856  -4.536   5.054
  113    HB3  ARG  15           HB1      ARG  15   3.273  -5.129   4.590
  114    HG2  ARG  15           HG2      ARG  15   3.297  -4.756   6.952
  115    HG3  ARG  15           HG1      ARG  15   3.233  -6.491   6.652
  116    HD2  ARG  15           HD2      ARG  15   4.767  -5.996   8.460
  117    HD3  ARG  15           HD1      ARG  15   5.654  -6.641   7.080
  118    HE   ARG  15           HE       ARG  15   5.798  -3.961   6.745
  119   HH11  ARG  15          HH11      ARG  15   6.621  -6.095   9.450
  120   HH12  ARG  15          HH12      ARG  15   7.849  -5.098  10.073
  121   HH21  ARG  15          HH21      ARG  15   7.511  -2.581   7.592
  122   HH22  ARG  15          HH22      ARG  15   8.390  -3.070   8.966
  123    H    CYS  16           H        CYS  16   2.590  -6.838   3.233
  124    HA   CYS  16           HA       CYS  16   1.759  -9.168   4.633
  125    HB2  CYS  16           HB2      CYS  16   0.587  -7.781   2.245
  126    HB3  CYS  16           HB1      CYS  16  -0.108  -9.252   2.915
  127    H    GLN  17           H        GLN  17   3.401  -8.741   1.586
  128    HA   GLN  17           HA       GLN  17   3.020 -11.312   0.519
  129    HB2  GLN  17           HB2      GLN  17   5.348  -9.430   0.285
  130    HB3  GLN  17           HB1      GLN  17   5.229 -10.928  -0.616
  131    HG2  GLN  17           HG2      GLN  17   3.256 -10.124  -1.751
  132    HG3  GLN  17           HG1      GLN  17   3.272  -8.651  -0.778
  133   HE21  GLN  17          1HE2      GLN  17   3.468  -7.381  -2.601
  134   HE22  GLN  17          2HE2      GLN  17   4.952  -7.241  -3.475
  135    H    VAL  18           H        VAL  18   5.144 -10.138   2.987
  136    HA   VAL  18           HA       VAL  18   6.568 -12.648   3.159
  137    HB   VAL  18           HB       VAL  18   6.783 -10.132   4.848
  138   HG11  VAL  18          HG11      VAL  18   8.849 -11.106   5.736
  139   HG12  VAL  18          HG12      VAL  18   8.539 -12.586   4.831
  140   HG13  VAL  18          3HG1      VAL  18   7.450 -12.105   6.133
  141   HG21  VAL  18          HG21      VAL  18   8.581 -11.227   2.686
  142   HG22  VAL  18          HG22      VAL  18   8.911  -9.801   3.669
  143   HG23  VAL  18          HG23      VAL  18   7.541  -9.809   2.557
  144    H    ALA  19           H        ALA  19   4.481 -10.693   5.287
  145    HA   ALA  19           HA       ALA  19   4.437 -12.606   7.358
  146    HB1  ALA  19           HB1      ALA  19   2.760 -11.212   8.394
  147    HB2  ALA  19           HB2      ALA  19   2.507 -10.353   6.875
  148    HB3  ALA  19           HB3      ALA  19   4.049 -10.216   7.718
  149    H    GLU  20           H        GLU  20   1.820 -11.695   5.115
  150    HA   GLU  20           HA       GLU  20   0.081 -13.732   6.101
  151    HB2  GLU  20           HB2      GLU  20  -0.109 -12.080   3.576
  152    HB3  GLU  20           HB1      GLU  20  -1.399 -13.051   4.262
  153    HG2  GLU  20           HG2      GLU  20  -0.134 -10.631   5.541
  154    HG3  GLU  20           HG1      GLU  20  -1.701 -10.677   4.740
  155    H    HIS  21           H        HIS  21   1.860 -13.241   3.121
  156    HA   HIS  21           HA       HIS  21   2.522 -14.547   1.432
  157    HB2  HIS  21           HB2      HIS  21   3.997 -15.451   3.225
  158    HB3  HIS  21           HB1      HIS  21   2.796 -16.687   3.568
  159    HD1  HIS  21           HD1      HIS  21   3.127 -18.869   2.314
  160    HD2  HIS  21           HD2      HIS  21   5.088 -15.677   0.521
  161    HE1  HIS  21           HE1      HIS  21   4.433 -19.845   0.395
  162    H    GLY  22           H        GLY  22   0.602 -14.510   0.313
  163    HA2  GLY  22           HA2      GLY  22  -0.380 -16.862  -0.611
  164    HA3  GLY  22           HA1      GLY  22  -1.463 -16.412   0.702
  165    H    VAL  23           H        VAL  23  -1.849 -16.547  -2.191
  166    HA   VAL  23           HA       VAL  23  -1.772 -14.077  -3.468
  167    HB   VAL  23           HB       VAL  23  -3.700 -16.355  -3.981
  168   HG11  VAL  23          HG11      VAL  23  -3.801 -15.479  -6.277
  169   HG12  VAL  23          HG12      VAL  23  -2.803 -14.111  -5.780
  170   HG13  VAL  23          3HG1      VAL  23  -4.412 -14.321  -5.095
  171   HG21  VAL  23          HG21      VAL  23  -2.063 -17.080  -5.664
  172   HG22  VAL  23          HG22      VAL  23  -1.388 -17.110  -4.035
  173   HG23  VAL  23          HG23      VAL  23  -0.971 -15.801  -5.139
  174    H    GLU  24           H        GLU  24  -4.439 -15.558  -1.665
  175    HA   GLU  24           HA       GLU  24  -6.439 -13.675  -2.243
  176    HB2  GLU  24           HB2      GLU  24  -6.527 -16.015  -1.043
  177    HB3  GLU  24           HB1      GLU  24  -6.253 -15.081   0.412
  178    HG2  GLU  24           HG2      GLU  24  -8.609 -14.850  -1.458
  179    HG3  GLU  24           HG1      GLU  24  -8.600 -15.604   0.126
  180    H    ARG  25           H        ARG  25  -4.331 -13.968   0.595
  181    HA   ARG  25           HA       ARG  25  -5.221 -11.550   1.767
  182    HB2  ARG  25           HB2      ARG  25  -2.840 -13.267   2.393
  183    HB3  ARG  25           HB1      ARG  25  -3.302 -11.857   3.332
  184    HG2  ARG  25           HG2      ARG  25  -5.445 -12.896   3.839
  185    HG3  ARG  25           HG1      ARG  25  -4.976 -14.330   2.922
  186    HD2  ARG  25           HD2      ARG  25  -3.063 -14.628   4.421
  187    HD3  ARG  25           HD1      ARG  25  -3.569 -13.209   5.327
  188    HE   ARG  25           HE       ARG  25  -5.454 -15.393   5.078
  189   HH11  ARG  25          HH11      ARG  25  -3.334 -13.449   7.118
  190   HH12  ARG  25          HH12      ARG  25  -3.636 -14.309   8.549
  191   HH21  ARG  25          HH21      ARG  25  -5.922 -16.603   7.084
  192   HH22  ARG  25          HH22      ARG  25  -5.129 -16.145   8.531
  193    H    GLN  26           H        GLN  26  -2.587 -12.322  -0.365
  194    HA   GLN  26           HA       GLN  26  -1.131  -9.928  -0.048
  195    HB2  GLN  26           HB2      GLN  26  -0.283 -11.959  -1.158
  196    HB3  GLN  26           HB1      GLN  26  -1.409 -11.691  -2.472
  197    HG2  GLN  26           HG2      GLN  26  -0.284  -9.602  -3.014
  198    HG3  GLN  26           HG1      GLN  26   0.857  -9.880  -1.693
  199   HE21  GLN  26          1HE2      GLN  26  -0.229 -10.941  -4.755
  200   HE22  GLN  26          2HE2      GLN  26   1.137 -11.911  -5.174
  201    H    ARG  27           H        ARG  27  -3.583 -10.942  -2.393
  202    HA   ARG  27           HA       ARG  27  -3.874  -8.506  -3.758
  203    HB2  ARG  27           HB2      ARG  27  -4.762 -10.604  -4.609
  204    HB3  ARG  27           HB1      ARG  27  -5.845 -10.734  -3.237
  205    HG2  ARG  27           HG2      ARG  27  -7.080  -8.795  -3.997
  206    HG3  ARG  27           HG1      ARG  27  -5.964  -8.597  -5.351
  207    HD2  ARG  27           HD2      ARG  27  -6.592 -10.775  -6.200
  208    HD3  ARG  27           HD1      ARG  27  -7.705 -11.006  -4.848
  209    HE   ARG  27           HE       ARG  27  -8.734  -8.864  -5.765
  210   HH11  ARG  27          HH11      ARG  27  -7.357 -11.458  -7.750
  211   HH12  ARG  27          HH12      ARG  27  -8.328 -11.157  -9.104
  212   HH21  ARG  27          HH21      ARG  27 -10.112  -8.455  -7.583
  213   HH22  ARG  27          HH22      ARG  27  -9.980  -9.378  -8.999
  214    H    ARG  28           H        ARG  28  -5.362  -9.824  -0.911
  215    HA   ARG  28           HA       ARG  28  -7.330  -7.946  -0.380
  216    HB2  ARG  28           HB2      ARG  28  -7.057 -10.141   0.742
  217    HB3  ARG  28           HB1      ARG  28  -5.636  -9.516   1.547
  218    HG2  ARG  28           HG2      ARG  28  -6.991  -7.934   2.770
  219    HG3  ARG  28           HG1      ARG  28  -8.434  -8.501   1.919
  220    HD2  ARG  28           HD2      ARG  28  -8.113 -10.734   2.820
  221    HD3  ARG  28           HD1      ARG  28  -6.647 -10.207   3.643
  222    HE   ARG  28           HE       ARG  28  -8.630  -8.532   4.493
  223   HH11  ARG  28          HH11      ARG  28  -8.085 -12.051   4.603
  224   HH12  ARG  28          HH12      ARG  28  -8.909 -12.258   6.058
  225   HH21  ARG  28          HH21      ARG  28  -9.793  -8.843   6.452
  226   HH22  ARG  28          HH22      ARG  28  -9.946 -10.404   7.136
  227    H    CYS  29           H        CYS  29  -4.055  -8.173   1.064
  228    HA   CYS  29           HA       CYS  29  -4.078  -5.686   2.290
  229    HB2  CYS  29           HB2      CYS  29  -1.852  -7.456   1.369
  230    HB3  CYS  29           HB1      CYS  29  -1.550  -5.908   2.137
  231    H    GLN  30           H        GLN  30  -2.889  -6.636  -0.929
  232    HA   GLN  30           HA       GLN  30  -1.635  -4.270  -1.594
  233    HB2  GLN  30           HB2      GLN  30  -1.435  -6.338  -2.887
  234    HB3  GLN  30           HB1      GLN  30  -3.103  -6.182  -3.406
  235    HG2  GLN  30           HG2      GLN  30  -2.573  -4.203  -4.668
  236    HG3  GLN  30           HG1      GLN  30  -0.919  -4.217  -4.054
  237   HE21  GLN  30          1HE2      GLN  30  -1.936  -4.383  -6.799
  238   HE22  GLN  30          2HE2      GLN  30  -1.252  -5.818  -7.455
  239    H    GLN  31           H        GLN  31  -5.021  -5.189  -2.120
  240    HA   GLN  31           HA       GLN  31  -5.746  -2.787  -3.395
  241    HB2  GLN  31           HB2      GLN  31  -7.090  -4.851  -3.525
  242    HB3  GLN  31           HB1      GLN  31  -7.491  -4.680  -1.822
  243    HG2  GLN  31           HG2      GLN  31  -8.654  -2.612  -2.267
  244    HG3  GLN  31           HG1      GLN  31  -8.203  -2.686  -3.963
  245   HE21  GLN  31          1HE2      GLN  31  -9.248  -5.438  -2.036
  246   HE22  GLN  31          2HE2      GLN  31 -10.727  -5.672  -2.870
  247    H    VAL  32           H        VAL  32  -5.752  -3.768  -0.006
  248    HA   VAL  32           HA       VAL  32  -7.036  -1.431   0.963
  249    HB   VAL  32           HB       VAL  32  -5.205  -3.360   2.443
  250   HG11  VAL  32          HG11      VAL  32  -7.079  -1.263   3.557
  251   HG12  VAL  32          HG12      VAL  32  -5.318  -1.201   3.602
  252   HG13  VAL  32          3HG1      VAL  32  -6.179  -2.446   4.507
  253   HG21  VAL  32          HG21      VAL  32  -7.292  -4.288   3.340
  254   HG22  VAL  32          HG22      VAL  32  -7.216  -4.421   1.583
  255   HG23  VAL  32          HG23      VAL  32  -8.213  -3.173   2.329
  256    H    CYS  33           H        CYS  33  -3.624  -2.342   0.696
  257    HA   CYS  33           HA       CYS  33  -2.574   0.031   1.786
  258    HB2  CYS  33           HB2      CYS  33  -1.287  -1.824  -0.239
  259    HB3  CYS  33           HB1      CYS  33  -0.446  -0.633   0.745
  260    H    GLU  34           H        GLU  34  -3.583  -0.830  -1.453
  261    HA   GLU  34           HA       GLU  34  -2.592   1.418  -2.835
  262    HB2  GLU  34           HB2      GLU  34  -3.361  -0.654  -3.915
  263    HB3  GLU  34           HB1      GLU  34  -4.990  -0.335  -3.360
  264    HG2  GLU  34           HG2      GLU  34  -5.038   1.692  -4.731
  265    HG3  GLU  34           HG1      GLU  34  -3.419   1.297  -5.315
  266    H    LYS  35           H        LYS  35  -5.658   0.692  -1.274
  267    HA   LYS  35           HA       LYS  35  -6.983   3.109  -1.863
  268    HB2  LYS  35           HB2      LYS  35  -8.067   1.015  -1.131
  269    HB3  LYS  35           HB1      LYS  35  -7.379   1.225   0.469
  270    HG2  LYS  35           HG2      LYS  35  -8.681   3.276   0.762
  271    HG3  LYS  35           HG1      LYS  35  -9.362   3.074  -0.853
  272    HD2  LYS  35           HD2      LYS  35  -9.686   1.150   1.457
  273    HD3  LYS  35           HD1      LYS  35 -10.911   2.277   0.875
  274    HE2  LYS  35           HE2      LYS  35 -10.898   1.121  -1.310
  275    HE3  LYS  35           HE1      LYS  35  -9.702  -0.011  -0.691
  276    HZ1  LYS  35           HZ1      LYS  35 -11.870  -0.961  -0.606
  277    HZ2  LYS  35           HZ2      LYS  35 -12.469   0.316   0.322
  278    HZ3  LYS  35           HZ3      LYS  35 -11.316  -0.740   0.962
  279    H    ARG  36           H        ARG  36  -5.048   2.018   0.873
  280    HA   ARG  36           HA       ARG  36  -5.198   4.322   2.457
  281    HB2  ARG  36           HB2      ARG  36  -3.008   2.261   2.235
  282    HB3  ARG  36           HB1      ARG  36  -2.997   3.556   3.417
  283    HG2  ARG  36           HG2      ARG  36  -5.057   2.689   4.397
  284    HG3  ARG  36           HG1      ARG  36  -5.087   1.406   3.188
  285    HD2  ARG  36           HD2      ARG  36  -4.177   0.590   5.291
  286    HD3  ARG  36           HD1      ARG  36  -2.962   0.559   4.013
  287    HE   ARG  36           HE       ARG  36  -2.804   2.969   5.492
  288   HH11  ARG  36          HH11      ARG  36  -1.953  -0.460   5.708
  289   HH12  ARG  36          HH12      ARG  36  -0.672  -0.260   6.795
  290   HH21  ARG  36          HH21      ARG  36  -1.042   3.295   7.040
  291   HH22  ARG  36          HH22      ARG  36  -0.150   1.967   7.597
  292    H    LEU  37           H        LEU  37  -2.944   3.402  -0.091
  293    HA   LEU  37           HA       LEU  37  -1.250   5.619   0.053
  294    HB2  LEU  37           HB2      LEU  37  -0.675   3.572  -1.142
  295    HB3  LEU  37           HB1      LEU  37  -1.984   3.813  -2.262
  296    HG   LEU  37           HG       LEU  37   0.366   4.226  -3.138
  297   HD11  LEU  37          HD11      LEU  37  -1.533   4.998  -4.381
  298   HD12  LEU  37          HD12      LEU  37  -0.230   6.183  -4.464
  299   HD13  LEU  37          HD13      LEU  37  -1.612   6.463  -3.404
  300   HD21  LEU  37          HD21      LEU  37   0.121   6.722  -1.468
  301   HD22  LEU  37          HD22      LEU  37   1.372   6.407  -2.670
  302   HD23  LEU  37          HD23      LEU  37   1.272   5.409  -1.220
  303    H    ARG  38           H        ARG  38  -4.196   5.083  -1.768
  304    HA   ARG  38           HA       ARG  38  -4.165   7.413  -3.294
  305    HB2  ARG  38           HB2      ARG  38  -5.644   5.416  -3.609
  306    HB3  ARG  38           HB1      ARG  38  -6.602   5.981  -2.259
  307    HG2  ARG  38           HG2      ARG  38  -7.174   8.002  -3.475
  308    HG3  ARG  38           HG1      ARG  38  -6.155   7.490  -4.824
  309    HD2  ARG  38           HD2      ARG  38  -7.543   5.441  -5.003
  310    HD3  ARG  38           HD1      ARG  38  -8.631   6.123  -3.793
  311    HE   ARG  38           HE       ARG  38  -8.426   8.040  -5.708
  312   HH11  ARG  38          HH11      ARG  38  -9.449   4.636  -5.697
  313   HH12  ARG  38          HH12      ARG  38 -10.404   4.800  -7.098
  314   HH21  ARG  38          HH21      ARG  38  -9.756   8.227  -7.613
  315   HH22  ARG  38          HH22      ARG  38 -10.591   6.860  -8.185
  316    H    GLU  39           H        GLU  39  -5.563   6.815  -0.085
  317    HA   GLU  39           HA       GLU  39  -6.389   9.563   0.120
  318    HB2  GLU  39           HB2      GLU  39  -6.971   8.980   2.502
  319    HB3  GLU  39           HB1      GLU  39  -7.801   8.048   1.267
  320    HG2  GLU  39           HG2      GLU  39  -6.468   6.153   1.676
  321    HG3  GLU  39           HG1      GLU  39  -5.349   7.073   2.679
  322    H    ARG  40           H        ARG  40  -3.615   7.732   0.981
  323    HA   ARG  40           HA       ARG  40  -2.360   9.273   2.946
  324    HB2  ARG  40           HB2      ARG  40  -1.588   7.044   2.105
  325    HB3  ARG  40           HB1      ARG  40  -1.092   7.814   0.618
  326    HG2  ARG  40           HG2      ARG  40   0.833   7.390   1.987
  327    HG3  ARG  40           HG1      ARG  40   0.565   9.131   1.890
  328    HD2  ARG  40           HD2      ARG  40  -0.343   9.198   4.074
  329    HD3  ARG  40           HD1      ARG  40  -0.448   7.440   4.160
  330    HE   ARG  40           HE       ARG  40   2.217   8.278   3.746
  331   HH11  ARG  40          HH11      ARG  40  -0.262   8.169   6.266
  332   HH12  ARG  40          HH12      ARG  40   0.842   7.924   7.532
  333   HH21  ARG  40          HH21      ARG  40   3.745   7.960   5.527
  334   HH22  ARG  40          HH22      ARG  40   3.144   7.844   7.120
  335    H    GLU  41           H        GLU  41  -1.870   9.333  -0.569
  336    HA   GLU  41           HA       GLU  41  -0.473  11.821  -0.455
  337    HB2  GLU  41           HB2      GLU  41  -1.645  10.395  -2.837
  338    HB3  GLU  41           HB1      GLU  41  -0.530  11.749  -2.901
  339    HG2  GLU  41           HG2      GLU  41   1.140  10.322  -1.720
  340    HG3  GLU  41           HG1      GLU  41   0.019   8.972  -1.900
  341    H    GLY  42           H        GLY  42  -3.717  10.748  -1.254
  342    HA2  GLY  42           HA2      GLY  42  -4.731  13.053  -2.449
  343    HA3  GLY  42           HA1      GLY  42  -5.683  11.821  -1.646
  344    H    ARG  43           H        ARG  43  -4.064  12.508   0.859
  345    HA   ARG  43           HA       ARG  43  -5.842  14.382   2.007
  346    HB2  ARG  43           HB2      ARG  43  -4.600  12.706   3.347
  347    HB3  ARG  43           HB1      ARG  43  -3.093  13.509   2.944
  348    HG2  ARG  43           HG2      ARG  43  -3.819  15.503   4.144
  349    HG3  ARG  43           HG1      ARG  43  -5.347  14.712   4.533
  350    HD2  ARG  43           HD2      ARG  43  -4.152  13.015   5.806
  351    HD3  ARG  43           HD1      ARG  43  -2.614  13.773   5.389
  352    HE   ARG  43           HE       ARG  43  -4.157  15.732   6.522
  353   HH11  ARG  43          HH11      ARG  43  -2.852  12.615   7.613
  354   HH12  ARG  43          HH12      ARG  43  -2.619  13.088   9.223
  355   HH21  ARG  43          HH21      ARG  43  -3.864  16.384   8.785
  356   HH22  ARG  43          HH22      ARG  43  -3.239  15.275   9.914
  357    H    ARG  44           H        ARG  44  -2.809  14.643   0.353
  358    HA   ARG  44           HA       ARG  44  -2.738  17.544   0.856
  359    HB2  ARG  44           HB2      ARG  44  -0.744  16.228   1.588
  360    HB3  ARG  44           HB1      ARG  44  -0.493  15.757  -0.087
  361    HG2  ARG  44           HG2      ARG  44  -0.275  18.149  -0.674
  362    HG3  ARG  44           HG1      ARG  44  -0.383  18.532   1.046
  363    HD2  ARG  44           HD2      ARG  44   1.916  18.499   0.418
  364    HD3  ARG  44           HD1      ARG  44   1.598  17.083   1.423
  365    HE   ARG  44           HE       ARG  44   1.316  16.563  -1.369
  366   HH11  ARG  44          HH11      ARG  44   3.746  16.865   1.199
  367   HH12  ARG  44          HH12      ARG  44   4.875  15.838   0.459
  368   HH21  ARG  44          HH21      ARG  44   2.881  15.144  -2.396
  369   HH22  ARG  44          HH22      ARG  44   4.370  14.836  -1.655
  370    H    GLU  45           H        GLU  45  -2.110  15.065  -1.618
  371    HA   GLU  45           HA       GLU  45  -2.086  16.972  -3.762
  372    HB2  GLU  45           HB2      GLU  45  -2.162  13.953  -3.906
  373    HB3  GLU  45           HB1      GLU  45  -1.672  15.060  -5.175
  374    HG2  GLU  45           HG2      GLU  45  -0.204  14.551  -2.594
  375    HG3  GLU  45           HG1      GLU  45   0.228  13.926  -4.179
  376    H    VAL  46           H        VAL  46  -4.044  17.811  -4.155
  377    HA   VAL  46           HA       VAL  46  -6.363  16.042  -4.150
  378    HB   VAL  46           HB       VAL  46  -6.266  19.072  -4.392
  379   HG11  VAL  46          HG11      VAL  46  -8.672  18.979  -3.898
  380   HG12  VAL  46          HG12      VAL  46  -8.600  17.215  -3.922
  381   HG13  VAL  46          3HG1      VAL  46  -8.265  18.134  -5.391
  382   HG21  VAL  46          HG21      VAL  46  -6.909  17.365  -1.985
  383   HG22  VAL  46          HG22      VAL  46  -7.046  19.123  -2.062
  384   HG23  VAL  46          HG23      VAL  46  -5.465  18.353  -2.202
  385    H    ASP  47           H        ASP  47  -6.387  14.998  -6.040
  386    HA   ASP  47           HA       ASP  47  -6.291  16.626  -8.433
  387    HB2  ASP  47           HB2      ASP  47  -5.156  14.886  -9.691
  388    HB3  ASP  47           HB1      ASP  47  -4.203  15.247  -8.269
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1  11.686  12.056   2.764
    2    H3   PRO   1           HT2      PRO   1  10.794  13.080   1.876
    3    HA   PRO   1           HA       PRO   1   9.198  11.716   1.528
    4    HB2  PRO   1           HB2      PRO   1  10.481   9.194   2.162
    5    HB3  PRO   1           HB1      PRO   1   9.509   9.642   0.756
    6    HG2  PRO   1           HG2      PRO   1  12.387   9.551   0.976
    7    HG3  PRO   1           HG1      PRO   1  11.397   9.896  -0.447
    8    HD2  PRO   1           HD2      PRO   1  13.006  11.752   0.853
    9    HD3  PRO   1           HD1      PRO   1  11.646  12.164  -0.203
   10    H    ARG   2           H        ARG   2   7.836  11.560   3.116
   11    HA   ARG   2           HA       ARG   2   8.211  10.095   5.460
   12    HB2  ARG   2           HB2      ARG   2   9.550  12.187   6.054
   13    HB3  ARG   2           HB1      ARG   2   8.072  13.112   5.848
   14    HG2  ARG   2           HG2      ARG   2   8.482  12.687   8.199
   15    HG3  ARG   2           HG1      ARG   2   7.029  11.830   7.670
   16    HD2  ARG   2           HD2      ARG   2   8.317   9.773   7.436
   17    HD3  ARG   2           HD1      ARG   2   9.777  10.626   7.926
   18    HE   ARG   2           HE       ARG   2   8.089  11.008   9.993
   19   HH11  ARG   2          HH11      ARG   2   9.208   8.148   8.255
   20   HH12  ARG   2          HH12      ARG   2   9.090   7.101   9.580
   21   HH21  ARG   2          HH21      ARG   2   7.947   9.566  11.858
   22   HH22  ARG   2          HH22      ARG   2   8.368   7.925  11.674
   23    H    GLY   3           H        GLY   3   6.272   9.226   5.111
   24    HA2  GLY   3           HA2      GLY   3   3.944   9.145   5.189
   25    HA3  GLY   3           HA1      GLY   3   3.904  10.910   5.234
   26    H    SER   4           H        SER   4   5.298   8.558   3.023
   27    HA   SER   4           HA       SER   4   4.312  10.125   0.786
   28    HB2  SER   4           HB2      SER   4   6.299   7.839   0.793
   29    HB3  SER   4           HB1      SER   4   6.020   9.020  -0.487
   30    HG   SER   4           HG       SER   4   6.960  10.541   0.632
   31    HA   PRO   5           HA       PRO   5   0.991   7.327  -0.046
   32    HB2  PRO   5           HB2      PRO   5   0.919   7.499  -2.784
   33    HB3  PRO   5           HB1      PRO   5   0.243   8.705  -1.687
   34    HG2  PRO   5           HG2      PRO   5   2.875   8.698  -3.104
   35    HG3  PRO   5           HG1      PRO   5   1.738  10.037  -2.870
   36    HD2  PRO   5           HD2      PRO   5   3.935   9.818  -1.378
   37    HD3  PRO   5           HD1      PRO   5   2.404  10.383  -0.679
   38    H    ARG   6           H        ARG   6   3.996   6.703  -1.894
   39    HA   ARG   6           HA       ARG   6   2.840   4.140  -2.663
   40    HB2  ARG   6           HB2      ARG   6   5.436   5.398  -3.549
   41    HB3  ARG   6           HB1      ARG   6   4.775   3.885  -4.140
   42    HG2  ARG   6           HG2      ARG   6   2.834   5.066  -5.021
   43    HG3  ARG   6           HG1      ARG   6   3.510   6.594  -4.454
   44    HD2  ARG   6           HD2      ARG   6   4.712   4.736  -6.497
   45    HD3  ARG   6           HD1      ARG   6   3.948   6.290  -6.810
   46    HE   ARG   6           HE       ARG   6   6.234   6.261  -5.021
   47   HH11  ARG   6          HH11      ARG   6   4.937   7.055  -8.219
   48   HH12  ARG   6          HH12      ARG   6   6.308   7.939  -8.695
   49   HH21  ARG   6          HH21      ARG   6   8.077   7.465  -5.671
   50   HH22  ARG   6          HH22      ARG   6   8.145   8.182  -7.215
   51    H    THR   7           H        THR   7   5.014   5.589  -0.557
   52    HA   THR   7           HA       THR   7   6.663   3.448   0.047
   53    HB   THR   7           HB       THR   7   5.767   5.750   1.754
   54    HG1  THR   7           HG1      THR   7   7.300   5.498  -0.576
   55   HG21  THR   7          HG21      THR   7   8.027   5.617   2.559
   56   HG22  THR   7          HG22      THR   7   8.330   4.266   1.444
   57   HG23  THR   7          HG23      THR   7   7.189   4.066   2.799
   58    H    GLU   8           H        GLU   8   3.668   4.710   1.504
   59    HA   GLU   8           HA       GLU   8   3.271   2.835   3.561
   60    HB2  GLU   8           HB2      GLU   8   1.982   4.924   3.281
   61    HB3  GLU   8           HB1      GLU   8   1.257   4.280   1.819
   62    HG2  GLU   8           HG2      GLU   8  -0.361   4.079   3.502
   63    HG3  GLU   8           HG1      GLU   8   0.274   2.460   3.238
   64    H    TYR   9           H        TYR   9   2.328   2.908   0.180
   65    HA   TYR   9           HA       TYR   9   0.710   0.694   0.036
   66    HB2  TYR   9           HB2      TYR   9   0.557   2.470  -1.476
   67    HB3  TYR   9           HB1      TYR   9   2.274   2.420  -1.810
   68    HD1  TYR   9           HD1      TYR   9  -0.937   0.907  -2.485
   69    HD2  TYR   9           HD2      TYR   9   3.152   0.975  -3.325
   70    HE1  TYR   9           HE1      TYR   9  -1.408  -0.350  -4.509
   71    HE2  TYR   9           HE2      TYR   9   2.817  -0.342  -5.386
   72    HH   TYR   9           HH       TYR   9  -0.312  -0.830  -6.699
   73    H    GLU  10           H        GLU  10   4.114   1.161  -0.988
   74    HA   GLU  10           HA       GLU  10   4.418  -1.477  -1.899
   75    HB2  GLU  10           HB2      GLU  10   5.745   0.526  -2.622
   76    HB3  GLU  10           HB1      GLU  10   6.611   0.427  -1.096
   77    HG2  GLU  10           HG2      GLU  10   7.889  -0.595  -2.849
   78    HG3  GLU  10           HG1      GLU  10   7.366  -1.828  -1.692
   79    H    ALA  11           H        ALA  11   5.222   0.094   1.178
   80    HA   ALA  11           HA       ALA  11   6.647  -2.059   2.300
   81    HB1  ALA  11           HB1      ALA  11   4.945  -0.003   3.722
   82    HB2  ALA  11           HB2      ALA  11   6.646   0.192   3.294
   83    HB3  ALA  11           HB3      ALA  11   6.166  -1.031   4.472
   84    H    CYS  12           H        CYS  12   3.272  -1.336   2.049
   85    HA   CYS  12           HA       CYS  12   2.212  -3.348   3.721
   86    HB2  CYS  12           HB2      CYS  12   0.950  -1.382   2.904
   87    HB3  CYS  12           HB1      CYS  12   1.059  -2.007   1.274
   88    H    ARG  13           H        ARG  13   3.074  -3.218   0.297
   89    HA   ARG  13           HA       ARG  13   2.026  -5.747  -0.432
   90    HB2  ARG  13           HB2      ARG  13   4.279  -4.213  -1.719
   91    HB3  ARG  13           HB1      ARG  13   3.394  -5.545  -2.440
   92    HG2  ARG  13           HG2      ARG  13   1.353  -4.154  -2.377
   93    HG3  ARG  13           HG1      ARG  13   2.329  -2.821  -1.763
   94    HD2  ARG  13           HD2      ARG  13   2.071  -2.598  -4.148
   95    HD3  ARG  13           HD1      ARG  13   3.750  -2.967  -3.760
   96    HE   ARG  13           HE       ARG  13   1.837  -5.008  -4.682
   97   HH11  ARG  13          HH11      ARG  13   5.121  -3.662  -4.729
   98   HH12  ARG  13          HH12      ARG  13   5.621  -4.605  -6.053
   99   HH21  ARG  13          HH21      ARG  13   2.560  -6.315  -6.455
  100   HH22  ARG  13          HH22      ARG  13   4.166  -6.187  -7.022
  101    H    VAL  14           H        VAL  14   5.271  -4.631   0.440
  102    HA   VAL  14           HA       VAL  14   6.564  -7.123   0.197
  103    HB   VAL  14           HB       VAL  14   7.317  -4.836   2.054
  104   HG11  VAL  14          HG11      VAL  14   9.596  -5.744   1.935
  105   HG12  VAL  14          HG12      VAL  14   9.003  -7.091   0.965
  106   HG13  VAL  14          3HG1      VAL  14   8.465  -6.904   2.634
  107   HG21  VAL  14          HG21      VAL  14   8.233  -5.386  -0.772
  108   HG22  VAL  14          HG22      VAL  14   8.839  -4.104   0.278
  109   HG23  VAL  14          HG23      VAL  14   7.162  -4.079  -0.266
  110    H    ARG  15           H        ARG  15   5.079  -5.502   2.937
  111    HA   ARG  15           HA       ARG  15   5.696  -7.234   5.009
  112    HB2  ARG  15           HB2      ARG  15   4.617  -4.990   5.141
  113    HB3  ARG  15           HB1      ARG  15   3.126  -5.736   4.613
  114    HG2  ARG  15           HG2      ARG  15   3.092  -7.107   6.638
  115    HG3  ARG  15           HG1      ARG  15   4.599  -6.347   7.167
  116    HD2  ARG  15           HD2      ARG  15   1.955  -4.984   6.682
  117    HD3  ARG  15           HD1      ARG  15   2.766  -5.208   8.238
  118    HE   ARG  15           HE       ARG  15   4.602  -3.848   7.069
  119   HH11  ARG  15          HH11      ARG  15   1.098  -3.255   6.812
  120   HH12  ARG  15          HH12      ARG  15   1.302  -1.634   6.337
  121   HH21  ARG  15          HH21      ARG  15   4.827  -1.611   6.445
  122   HH22  ARG  15          HH22      ARG  15   3.448  -0.670   6.150
  123    H    CYS  16           H        CYS  16   2.746  -7.214   3.018
  124    HA   CYS  16           HA       CYS  16   1.841  -9.597   4.230
  125    HB2  CYS  16           HB2      CYS  16   0.831  -8.109   1.816
  126    HB3  CYS  16           HB1      CYS  16   0.031  -9.522   2.509
  127    H    GLN  17           H        GLN  17   3.814  -8.989   1.459
  128    HA   GLN  17           HA       GLN  17   3.589 -11.493   0.174
  129    HB2  GLN  17           HB2      GLN  17   4.660  -9.517  -0.842
  130    HB3  GLN  17           HB1      GLN  17   5.925  -9.571   0.364
  131    HG2  GLN  17           HG2      GLN  17   6.822 -10.433  -1.663
  132    HG3  GLN  17           HG1      GLN  17   6.605 -11.782  -0.560
  133   HE21  GLN  17          1HE2      GLN  17   5.167 -13.384  -1.080
  134   HE22  GLN  17          2HE2      GLN  17   4.411 -13.489  -2.627
  135    H    VAL  18           H        VAL  18   5.286 -10.387   3.011
  136    HA   VAL  18           HA       VAL  18   6.699 -12.922   3.262
  137    HB   VAL  18           HB       VAL  18   6.828 -10.462   5.037
  138   HG11  VAL  18          HG11      VAL  18   7.400 -12.515   6.246
  139   HG12  VAL  18          HG12      VAL  18   8.813 -11.484   6.023
  140   HG13  VAL  18          3HG1      VAL  18   8.594 -12.909   5.010
  141   HG21  VAL  18          HG21      VAL  18   8.733 -11.457   2.924
  142   HG22  VAL  18          HG22      VAL  18   9.039 -10.109   4.015
  143   HG23  VAL  18          HG23      VAL  18   7.731 -10.008   2.835
  144    H    ALA  19           H        ALA  19   4.630 -10.878   5.308
  145    HA   ALA  19           HA       ALA  19   4.355 -12.737   7.384
  146    HB1  ALA  19           HB1      ALA  19   4.102 -10.313   7.629
  147    HB2  ALA  19           HB2      ALA  19   2.768 -11.227   8.327
  148    HB3  ALA  19           HB3      ALA  19   2.562 -10.412   6.777
  149    H    GLU  20           H        GLU  20   1.999 -11.846   4.855
  150    HA   GLU  20           HA       GLU  20  -0.027 -13.511   5.962
  151    HB2  GLU  20           HB2      GLU  20   0.191 -12.217   3.251
  152    HB3  GLU  20           HB1      GLU  20  -1.236 -13.042   3.861
  153    HG2  GLU  20           HG2      GLU  20   0.022 -10.606   5.098
  154    HG3  GLU  20           HG1      GLU  20  -1.389 -10.600   4.043
  155    H    HIS  21           H        HIS  21   2.012 -13.732   3.120
  156    HA   HIS  21           HA       HIS  21   2.595 -15.363   1.735
  157    HB2  HIS  21           HB2      HIS  21   3.663 -16.260   3.824
  158    HB3  HIS  21           HB1      HIS  21   2.223 -17.224   4.109
  159    HD1  HIS  21           HD1      HIS  21   5.285 -17.056   1.930
  160    HD2  HIS  21           HD2      HIS  21   1.999 -19.519   2.547
  161    HE1  HIS  21           HE1      HIS  21   5.786 -19.200   0.719
  162    H    GLY  22           H        GLY  22   0.693 -14.873   0.634
  163    HA2  GLY  22           HA2      GLY  22  -0.674 -17.043  -0.350
  164    HA3  GLY  22           HA1      GLY  22  -1.704 -16.325   0.891
  165    H    VAL  23           H        VAL  23  -1.742 -16.426  -2.135
  166    HA   VAL  23           HA       VAL  23  -1.207 -13.898  -3.227
  167    HB   VAL  23           HB       VAL  23  -3.252 -15.937  -4.133
  168   HG11  VAL  23          HG11      VAL  23  -1.890 -13.735  -5.662
  169   HG12  VAL  23          HG12      VAL  23  -3.591 -13.771  -5.194
  170   HG13  VAL  23          3HG1      VAL  23  -2.970 -14.942  -6.359
  171   HG21  VAL  23          HG21      VAL  23  -0.354 -15.627  -4.908
  172   HG22  VAL  23          HG22      VAL  23  -1.497 -16.767  -5.621
  173   HG23  VAL  23          HG23      VAL  23  -1.037 -16.923  -3.927
  174    H    GLU  24           H        GLU  24  -4.223 -15.315  -2.093
  175    HA   GLU  24           HA       GLU  24  -5.986 -13.225  -2.607
  176    HB2  GLU  24           HB2      GLU  24  -6.612 -15.530  -1.991
  177    HB3  GLU  24           HB1      GLU  24  -6.028 -15.244  -0.363
  178    HG2  GLU  24           HG2      GLU  24  -7.743 -13.496  -0.096
  179    HG3  GLU  24           HG1      GLU  24  -8.355 -13.898  -1.702
  180    H    ARG  25           H        ARG  25  -4.191 -14.018   0.312
  181    HA   ARG  25           HA       ARG  25  -5.130 -11.903   1.931
  182    HB2  ARG  25           HB2      ARG  25  -2.547 -13.449   2.120
  183    HB3  ARG  25           HB1      ARG  25  -3.186 -12.388   3.366
  184    HG2  ARG  25           HG2      ARG  25  -4.494 -14.907   2.361
  185    HG3  ARG  25           HG1      ARG  25  -3.589 -14.740   3.865
  186    HD2  ARG  25           HD2      ARG  25  -6.146 -13.300   3.144
  187    HD3  ARG  25           HD1      ARG  25  -5.981 -14.639   4.273
  188    HE   ARG  25           HE       ARG  25  -4.280 -12.534   5.085
  189   HH11  ARG  25          HH11      ARG  25  -7.723 -13.307   4.922
  190   HH12  ARG  25          HH12      ARG  25  -8.134 -12.302   6.231
  191   HH21  ARG  25          HH21      ARG  25  -4.823 -11.210   6.870
  192   HH22  ARG  25          HH22      ARG  25  -6.442 -11.086   7.382
  193    H    GLN  26           H        GLN  26  -2.322 -12.192  -0.172
  194    HA   GLN  26           HA       GLN  26  -1.166  -9.735   0.574
  195    HB2  GLN  26           HB2      GLN  26   0.066 -11.562  -0.537
  196    HB3  GLN  26           HB1      GLN  26  -0.853 -11.265  -2.003
  197    HG2  GLN  26           HG2      GLN  26   0.106  -9.051  -2.190
  198    HG3  GLN  26           HG1      GLN  26   0.981  -9.287  -0.676
  199   HE21  GLN  26          1HE2      GLN  26   2.000  -8.741  -3.342
  200   HE22  GLN  26          2HE2      GLN  26   3.073 -10.044  -3.690
  201    H    ARG  27           H        ARG  27  -3.346 -10.670  -2.063
  202    HA   ARG  27           HA       ARG  27  -3.433  -8.114  -3.258
  203    HB2  ARG  27           HB2      ARG  27  -5.517 -10.289  -3.326
  204    HB3  ARG  27           HB1      ARG  27  -5.526  -8.872  -4.360
  205    HG2  ARG  27           HG2      ARG  27  -3.326  -9.623  -5.269
  206    HG3  ARG  27           HG1      ARG  27  -3.518 -11.109  -4.334
  207    HD2  ARG  27           HD2      ARG  27  -5.266 -10.091  -6.564
  208    HD3  ARG  27           HD1      ARG  27  -4.278 -11.551  -6.548
  209    HE   ARG  27           HE       ARG  27  -6.492 -11.270  -4.645
  210   HH11  ARG  27          HH11      ARG  27  -5.083 -13.050  -7.409
  211   HH12  ARG  27          HH12      ARG  27  -6.321 -14.228  -7.360
  212   HH21  ARG  27          HH21      ARG  27  -8.111 -12.867  -4.675
  213   HH22  ARG  27          HH22      ARG  27  -8.017 -14.166  -5.794
  214    H    ARG  28           H        ARG  28  -5.279  -9.583  -0.675
  215    HA   ARG  28           HA       ARG  28  -7.191  -7.568  -0.330
  216    HB2  ARG  28           HB2      ARG  28  -5.876  -9.335   1.738
  217    HB3  ARG  28           HB1      ARG  28  -7.209  -8.250   2.095
  218    HG2  ARG  28           HG2      ARG  28  -7.252 -10.612   0.231
  219    HG3  ARG  28           HG1      ARG  28  -8.045 -10.481   1.803
  220    HD2  ARG  28           HD2      ARG  28  -8.667  -8.923  -0.700
  221    HD3  ARG  28           HD1      ARG  28  -9.689 -10.110   0.097
  222    HE   ARG  28           HE       ARG  28  -9.549  -8.452   2.044
  223   HH11  ARG  28          HH11      ARG  28  -9.760  -7.593  -1.386
  224   HH12  ARG  28          HH12      ARG  28 -10.489  -6.077  -1.117
  225   HH21  ARG  28          HH21      ARG  28 -10.504  -6.353   2.415
  226   HH22  ARG  28          HH22      ARG  28 -10.896  -5.329   1.112
  227    H    CYS  29           H        CYS  29  -3.960  -7.868   1.084
  228    HA   CYS  29           HA       CYS  29  -3.943  -5.466   2.478
  229    HB2  CYS  29           HB2      CYS  29  -1.686  -6.919   1.117
  230    HB3  CYS  29           HB1      CYS  29  -1.494  -5.615   2.275
  231    H    GLN  30           H        GLN  30  -2.928  -6.265  -0.814
  232    HA   GLN  30           HA       GLN  30  -1.950  -3.746  -1.473
  233    HB2  GLN  30           HB2      GLN  30  -3.027  -5.880  -3.305
  234    HB3  GLN  30           HB1      GLN  30  -2.108  -4.471  -3.819
  235    HG2  GLN  30           HG2      GLN  30  -0.222  -5.239  -2.424
  236    HG3  GLN  30           HG1      GLN  30  -1.142  -6.677  -2.024
  237   HE21  GLN  30          1HE2      GLN  30  -2.251  -6.856  -4.764
  238   HE22  GLN  30          2HE2      GLN  30  -0.960  -7.470  -5.726
  239    H    GLN  31           H        GLN  31  -5.222  -5.065  -1.834
  240    HA   GLN  31           HA       GLN  31  -6.212  -2.876  -3.310
  241    HB2  GLN  31           HB2      GLN  31  -7.410  -5.037  -3.132
  242    HB3  GLN  31           HB1      GLN  31  -7.765  -4.684  -1.445
  243    HG2  GLN  31           HG2      GLN  31  -9.013  -2.685  -2.146
  244    HG3  GLN  31           HG1      GLN  31  -8.699  -3.100  -3.827
  245   HE21  GLN  31          1HE2      GLN  31  -9.764  -4.852  -4.722
  246   HE22  GLN  31          2HE2      GLN  31 -11.172  -5.526  -4.005
  247    H    VAL  32           H        VAL  32  -6.193  -3.498   0.177
  248    HA   VAL  32           HA       VAL  32  -7.555  -1.121   0.907
  249    HB   VAL  32           HB       VAL  32  -5.626  -2.797   2.548
  250   HG11  VAL  32          HG11      VAL  32  -7.677  -0.777   3.460
  251   HG12  VAL  32          HG12      VAL  32  -5.927  -0.582   3.532
  252   HG13  VAL  32          3HG1      VAL  32  -6.718  -1.813   4.517
  253   HG21  VAL  32          HG21      VAL  32  -7.534  -4.082   1.730
  254   HG22  VAL  32          HG22      VAL  32  -8.637  -2.880   2.409
  255   HG23  VAL  32          HG23      VAL  32  -7.619  -3.848   3.475
  256    H    CYS  33           H        CYS  33  -4.143  -1.943   0.647
  257    HA   CYS  33           HA       CYS  33  -3.329   0.635   1.497
  258    HB2  CYS  33           HB2      CYS  33  -1.734  -1.595   0.241
  259    HB3  CYS  33           HB1      CYS  33  -1.048  -0.144   0.975
  260    H    GLU  34           H        GLU  34  -4.288  -0.637  -1.521
  261    HA   GLU  34           HA       GLU  34  -3.069   1.326  -3.174
  262    HB2  GLU  34           HB2      GLU  34  -3.903  -0.751  -4.116
  263    HB3  GLU  34           HB1      GLU  34  -5.520  -0.402  -3.537
  264    HG2  GLU  34           HG2      GLU  34  -5.688   1.456  -5.078
  265    HG3  GLU  34           HG1      GLU  34  -4.040   1.162  -5.627
  266    H    LYS  35           H        LYS  35  -6.017   1.073  -1.325
  267    HA   LYS  35           HA       LYS  35  -7.239   3.448  -2.237
  268    HB2  LYS  35           HB2      LYS  35  -7.448   2.112   0.473
  269    HB3  LYS  35           HB1      LYS  35  -8.523   3.364  -0.132
  270    HG2  LYS  35           HG2      LYS  35  -9.293   1.882  -1.895
  271    HG3  LYS  35           HG1      LYS  35  -8.171   0.635  -1.355
  272    HD2  LYS  35           HD2      LYS  35 -10.421   0.172  -0.541
  273    HD3  LYS  35           HD1      LYS  35  -9.338   0.526   0.803
  274    HE2  LYS  35           HE2      LYS  35 -10.204   2.793   0.933
  275    HE3  LYS  35           HE1      LYS  35 -11.240   2.502  -0.463
  276    HZ1  LYS  35           HZ1      LYS  35 -12.406   0.832   0.814
  277    HZ2  LYS  35           HZ2      LYS  35 -12.460   2.322   1.592
  278    HZ3  LYS  35           HZ3      LYS  35 -11.419   1.113   2.152
  279    H    ARG  36           H        ARG  36  -5.217   2.702   0.540
  280    HA   ARG  36           HA       ARG  36  -4.901   5.274   1.590
  281    HB2  ARG  36           HB2      ARG  36  -2.945   2.967   1.647
  282    HB3  ARG  36           HB1      ARG  36  -2.875   4.379   2.696
  283    HG2  ARG  36           HG2      ARG  36  -4.972   3.795   3.712
  284    HG3  ARG  36           HG1      ARG  36  -5.192   2.466   2.579
  285    HD2  ARG  36           HD2      ARG  36  -4.448   1.540   4.642
  286    HD3  ARG  36           HD1      ARG  36  -3.135   1.445   3.487
  287    HE   ARG  36           HE       ARG  36  -2.173   3.424   4.618
  288   HH11  ARG  36          HH11      ARG  36  -4.559   1.509   6.419
  289   HH12  ARG  36          HH12      ARG  36  -3.799   1.735   7.927
  290   HH21  ARG  36          HH21      ARG  36  -1.139   3.724   6.700
  291   HH22  ARG  36          HH22      ARG  36  -1.852   3.042   8.101
  292    H    LEU  37           H        LEU  37  -3.097   3.560  -0.892
  293    HA   LEU  37           HA       LEU  37  -1.024   5.283  -1.499
  294    HB2  LEU  37           HB2      LEU  37  -1.191   3.104  -2.494
  295    HB3  LEU  37           HB1      LEU  37  -2.745   3.478  -3.190
  296    HG   LEU  37           HG       LEU  37  -1.640   5.056  -4.713
  297   HD11  LEU  37          HD11      LEU  37   0.766   4.939  -5.034
  298   HD12  LEU  37          HD12      LEU  37   0.891   3.870  -3.632
  299   HD13  LEU  37          HD13      LEU  37   0.357   5.539  -3.424
  300   HD21  LEU  37          HD21      LEU  37  -0.671   2.226  -4.846
  301   HD22  LEU  37          HD22      LEU  37  -0.673   3.372  -6.187
  302   HD23  LEU  37          HD23      LEU  37  -2.198   2.854  -5.466
  303    H    ARG  38           H        ARG  38  -4.203   5.115  -3.071
  304    HA   ARG  38           HA       ARG  38  -3.782   7.416  -4.658
  305    HB2  ARG  38           HB2      ARG  38  -6.331   5.977  -4.010
  306    HB3  ARG  38           HB1      ARG  38  -6.158   7.213  -5.247
  307    HG2  ARG  38           HG2      ARG  38  -4.568   5.812  -6.441
  308    HG3  ARG  38           HG1      ARG  38  -4.712   4.580  -5.187
  309    HD2  ARG  38           HD2      ARG  38  -6.917   5.568  -6.981
  310    HD3  ARG  38           HD1      ARG  38  -6.099   4.006  -7.082
  311    HE   ARG  38           HE       ARG  38  -7.570   4.767  -4.656
  312   HH11  ARG  38          HH11      ARG  38  -7.187   2.582  -7.410
  313   HH12  ARG  38          HH12      ARG  38  -8.270   1.427  -6.795
  314   HH21  ARG  38          HH21      ARG  38  -9.069   3.226  -3.850
  315   HH22  ARG  38          HH22      ARG  38  -9.371   1.796  -4.730
  316    H    GLU  39           H        GLU  39  -5.445   6.899  -1.620
  317    HA   GLU  39           HA       GLU  39  -6.627   9.439  -1.461
  318    HB2  GLU  39           HB2      GLU  39  -5.828   7.481   0.657
  319    HB3  GLU  39           HB1      GLU  39  -6.624   9.002   1.019
  320    HG2  GLU  39           HG2      GLU  39  -8.528   8.307  -0.359
  321    HG3  GLU  39           HG1      GLU  39  -7.722   6.763  -0.656
  322    H    ARG  40           H        ARG  40  -3.530   8.231  -0.218
  323    HA   ARG  40           HA       ARG  40  -2.929  10.671   1.065
  324    HB2  ARG  40           HB2      ARG  40  -1.884   8.517   1.690
  325    HB3  ARG  40           HB1      ARG  40  -1.001   8.523   0.172
  326    HG2  ARG  40           HG2      ARG  40   0.243  10.457   0.825
  327    HG3  ARG  40           HG1      ARG  40  -0.742  10.666   2.270
  328    HD2  ARG  40           HD2      ARG  40   1.109   8.357   1.674
  329    HD3  ARG  40           HD1      ARG  40   1.382   9.647   2.837
  330    HE   ARG  40           HE       ARG  40  -1.033   8.440   3.470
  331   HH11  ARG  40          HH11      ARG  40   2.425   7.557   3.463
  332   HH12  ARG  40          HH12      ARG  40   2.255   6.464   4.748
  333   HH21  ARG  40          HH21      ARG  40  -1.232   6.837   5.152
  334   HH22  ARG  40          HH22      ARG  40   0.133   5.960   5.644
  335    H    GLU  41           H        GLU  41  -2.134   9.405  -2.142
  336    HA   GLU  41           HA       GLU  41  -0.586  11.714  -2.755
  337    HB2  GLU  41           HB2      GLU  41  -0.593  10.925  -5.103
  338    HB3  GLU  41           HB1      GLU  41  -0.086   9.680  -3.978
  339    HG2  GLU  41           HG2      GLU  41  -2.202   8.602  -4.135
  340    HG3  GLU  41           HG1      GLU  41  -2.848   9.905  -5.130
  341    H    GLY  42           H        GLY  42  -3.978  10.872  -3.174
  342    HA2  GLY  42           HA2      GLY  42  -4.618  13.056  -4.891
  343    HA3  GLY  42           HA1      GLY  42  -5.757  12.079  -3.976
  344    H    ARG  43           H        ARG  43  -4.344  12.690  -1.475
  345    HA   ARG  43           HA       ARG  43  -5.590  15.218  -0.984
  346    HB2  ARG  43           HB2      ARG  43  -4.231  13.275   0.868
  347    HB3  ARG  43           HB1      ARG  43  -4.850  14.835   1.403
  348    HG2  ARG  43           HG2      ARG  43  -7.078  14.231   0.698
  349    HG3  ARG  43           HG1      ARG  43  -6.489  12.690   0.083
  350    HD2  ARG  43           HD2      ARG  43  -5.841  12.040   2.346
  351    HD3  ARG  43           HD1      ARG  43  -6.413  13.592   2.960
  352    HE   ARG  43           HE       ARG  43  -8.629  12.973   2.224
  353   HH11  ARG  43          HH11      ARG  43  -6.300  10.370   2.815
  354   HH12  ARG  43          HH12      ARG  43  -7.485   9.135   2.836
  355   HH21  ARG  43          HH21      ARG  43 -10.266  11.217   2.376
  356   HH22  ARG  43          HH22      ARG  43  -9.737   9.627   2.642
  357    H    ARG  44           H        ARG  44  -2.350  13.988  -1.272
  358    HA   ARG  44           HA       ARG  44  -1.128  16.431  -0.416
  359    HB2  ARG  44           HB2      ARG  44   0.071  14.295  -0.239
  360    HB3  ARG  44           HB1      ARG  44   0.014  14.102  -1.981
  361    HG2  ARG  44           HG2      ARG  44   2.228  14.832  -1.216
  362    HG3  ARG  44           HG1      ARG  44   1.462  16.020  -2.268
  363    HD2  ARG  44           HD2      ARG  44   2.586  17.048  -0.332
  364    HD3  ARG  44           HD1      ARG  44   0.858  17.381  -0.383
  365    HE   ARG  44           HE       ARG  44   1.598  15.112   1.221
  366   HH11  ARG  44          HH11      ARG  44   1.120  18.645   1.206
  367   HH12  ARG  44          HH12      ARG  44   0.789  18.757   2.855
  368   HH21  ARG  44          HH21      ARG  44   1.139  15.284   3.542
  369   HH22  ARG  44          HH22      ARG  44   0.764  16.807   4.210
  370    H    GLU  45           H        GLU  45  -1.952  14.969  -3.514
  371    HA   GLU  45           HA       GLU  45  -1.120  17.367  -4.880
  372    HB2  GLU  45           HB2      GLU  45  -2.198  14.754  -5.896
  373    HB3  GLU  45           HB1      GLU  45  -1.782  16.107  -6.929
  374    HG2  GLU  45           HG2      GLU  45   0.538  15.964  -6.090
  375    HG3  GLU  45           HG1      GLU  45   0.060  14.537  -5.164
  376    H    VAL  46           H        VAL  46  -2.553  18.854  -4.356
  377    HA   VAL  46           HA       VAL  46  -5.342  18.277  -4.250
  378    HB   VAL  46           HB       VAL  46  -5.653  20.694  -3.794
  379   HG11  VAL  46          HG11      VAL  46  -4.487  20.731  -1.630
  380   HG12  VAL  46          HG12      VAL  46  -3.519  19.351  -2.145
  381   HG13  VAL  46          3HG1      VAL  46  -5.262  19.182  -1.947
  382   HG21  VAL  46          HG21      VAL  46  -2.645  20.840  -4.052
  383   HG22  VAL  46          HG22      VAL  46  -3.684  22.134  -3.453
  384   HG23  VAL  46          HG23      VAL  46  -3.815  21.601  -5.131
  385    H    ASP  47           H        ASP  47  -6.846  18.701  -5.670
  386    HA   ASP  47           HA       ASP  47  -6.109  20.031  -8.163
  387    HB2  ASP  47           HB2      ASP  47  -6.284  17.639  -8.631
  388    HB3  ASP  47           HB1      ASP  47  -7.851  17.578  -7.827
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1  11.899  10.578   3.152
    2    H3   PRO   1           HT2      PRO   1  13.314  11.348   2.960
    3    HA   PRO   1           HA       PRO   1  14.424   9.600   2.460
    4    HB2  PRO   1           HB2      PRO   1  12.689   7.489   3.410
    5    HB3  PRO   1           HB1      PRO   1  14.396   7.771   3.774
    6    HG2  PRO   1           HG2      PRO   1  12.038   8.526   5.329
    7    HG3  PRO   1           HG1      PRO   1  13.739   8.507   5.816
    8    HD2  PRO   1           HD2      PRO   1  12.322  10.819   5.464
    9    HD3  PRO   1           HD1      PRO   1  14.070  10.716   5.188
   10    H    ARG   2           H        ARG   2  14.043   8.055   0.761
   11    HA   ARG   2           HA       ARG   2  13.214   7.398  -1.181
   12    HB2  ARG   2           HB2      ARG   2  10.536   7.727   0.193
   13    HB3  ARG   2           HB1      ARG   2  10.657   7.203  -1.470
   14    HG2  ARG   2           HG2      ARG   2  10.345   5.257  -0.177
   15    HG3  ARG   2           HG1      ARG   2  12.046   5.262  -0.622
   16    HD2  ARG   2           HD2      ARG   2  11.742   4.603   1.701
   17    HD3  ARG   2           HD1      ARG   2  12.616   6.132   1.590
   18    HE   ARG   2           HE       ARG   2  10.044   6.905   1.862
   19   HH11  ARG   2          HH11      ARG   2  12.026   4.660   3.763
   20   HH12  ARG   2          HH12      ARG   2  11.241   5.003   5.235
   21   HH21  ARG   2          HH21      ARG   2   9.021   7.422   3.858
   22   HH22  ARG   2          HH22      ARG   2   9.477   6.651   5.293
   23    H    GLY   3           H        GLY   3  11.500   8.097  -2.936
   24    HA2  GLY   3           HA2      GLY   3  11.510  11.033  -3.072
   25    HA3  GLY   3           HA1      GLY   3  11.998  10.040  -4.448
   26    H    SER   4           H        SER   4  10.194   8.016  -4.319
   27    HA   SER   4           HA       SER   4   7.781   9.383  -5.148
   28    HB2  SER   4           HB2      SER   4   8.646   6.510  -5.506
   29    HB3  SER   4           HB1      SER   4   7.363   7.352  -6.380
   30    HG   SER   4           HG       SER   4   8.851   8.635  -7.352
   31    HA   PRO   5           HA       PRO   5   6.052   8.111  -1.109
   32    HB2  PRO   5           HB2      PRO   5   3.469   8.861  -1.645
   33    HB3  PRO   5           HB1      PRO   5   4.734   9.982  -1.126
   34    HG2  PRO   5           HG2      PRO   5   3.764   9.376  -3.889
   35    HG3  PRO   5           HG1      PRO   5   4.088  10.952  -3.149
   36    HD2  PRO   5           HD2      PRO   5   5.838   9.850  -4.812
   37    HD3  PRO   5           HD1      PRO   5   6.400  10.704  -3.359
   38    H    ARG   6           H        ARG   6   5.111   6.933  -4.196
   39    HA   ARG   6           HA       ARG   6   3.160   5.005  -3.566
   40    HB2  ARG   6           HB2      ARG   6   3.819   3.846  -5.572
   41    HB3  ARG   6           HB1      ARG   6   3.811   5.588  -5.869
   42    HG2  ARG   6           HG2      ARG   6   6.262   5.585  -5.556
   43    HG3  ARG   6           HG1      ARG   6   6.205   3.837  -5.378
   44    HD2  ARG   6           HD2      ARG   6   5.229   3.693  -7.656
   45    HD3  ARG   6           HD1      ARG   6   5.428   5.439  -7.801
   46    HE   ARG   6           HE       ARG   6   7.675   3.622  -7.306
   47   HH11  ARG   6          HH11      ARG   6   6.232   6.276  -9.173
   48   HH12  ARG   6          HH12      ARG   6   7.673   6.683  -9.970
   49   HH21  ARG   6          HH21      ARG   6   9.624   4.149  -8.416
   50   HH22  ARG   6          HH22      ARG   6   9.680   5.428  -9.545
   51    H    THR   7           H        THR   7   6.446   5.098  -2.799
   52    HA   THR   7           HA       THR   7   7.085   2.394  -2.553
   53    HB   THR   7           HB       THR   7   8.771   3.196  -0.829
   54    HG1  THR   7           HG1      THR   7   8.180   5.800  -1.681
   55   HG21  THR   7          HG21      THR   7   9.300   2.959  -3.216
   56   HG22  THR   7          HG22      THR   7  10.123   4.351  -2.515
   57   HG23  THR   7          HG23      THR   7   8.687   4.586  -3.513
   58    H    GLU   8           H        GLU   8   5.260   4.499  -0.434
   59    HA   GLU   8           HA       GLU   8   5.221   2.923   1.907
   60    HB2  GLU   8           HB2      GLU   8   3.112   4.750   0.746
   61    HB3  GLU   8           HB1      GLU   8   3.109   4.125   2.386
   62    HG2  GLU   8           HG2      GLU   8   5.232   5.900   1.215
   63    HG3  GLU   8           HG1      GLU   8   3.906   6.444   2.240
   64    H    TYR   9           H        TYR   9   3.254   3.001  -0.991
   65    HA   TYR   9           HA       TYR   9   1.310   1.126  -0.296
   66    HB2  TYR   9           HB2      TYR   9   0.800   2.612  -2.018
   67    HB3  TYR   9           HB1      TYR   9   2.376   2.452  -2.745
   68    HD1  TYR   9           HD1      TYR   9   2.792   0.972  -4.357
   69    HD2  TYR   9           HD2      TYR   9  -0.882   0.804  -2.344
   70    HE1  TYR   9           HE1      TYR   9   1.975  -0.617  -6.066
   71    HE2  TYR   9           HE2      TYR   9  -1.761  -0.800  -4.026
   72    HH   TYR   9           HH       TYR   9  -1.288  -1.447  -6.353
   73    H    GLU  10           H        GLU  10   4.314   0.960  -2.116
   74    HA   GLU  10           HA       GLU  10   4.262  -1.773  -2.740
   75    HB2  GLU  10           HB2      GLU  10   5.680  -0.106  -3.854
   76    HB3  GLU  10           HB1      GLU  10   6.630   0.051  -2.387
   77    HG2  GLU  10           HG2      GLU  10   7.269  -2.299  -2.568
   78    HG3  GLU  10           HG1      GLU  10   6.354  -2.414  -4.071
   79    H    ALA  11           H        ALA  11   5.776  -0.015  -0.040
   80    HA   ALA  11           HA       ALA  11   7.069  -2.173   1.175
   81    HB1  ALA  11           HB1      ALA  11   5.964   0.315   2.482
   82    HB2  ALA  11           HB2      ALA  11   7.536   0.186   1.698
   83    HB3  ALA  11           HB3      ALA  11   7.201  -0.749   3.154
   84    H    CYS  12           H        CYS  12   3.852  -0.875   1.541
   85    HA   CYS  12           HA       CYS  12   3.040  -2.530   3.666
   86    HB2  CYS  12           HB2      CYS  12   1.943  -0.407   2.945
   87    HB3  CYS  12           HB1      CYS  12   1.376  -1.233   1.504
   88    H    ARG  13           H        ARG  13   2.915  -2.902   0.137
   89    HA   ARG  13           HA       ARG  13   1.427  -5.298   0.016
   90    HB2  ARG  13           HB2      ARG  13   3.430  -4.071  -1.869
   91    HB3  ARG  13           HB1      ARG  13   2.628  -5.591  -2.218
   92    HG2  ARG  13           HG2      ARG  13   0.490  -4.523  -2.275
   93    HG3  ARG  13           HG1      ARG  13   1.184  -3.005  -1.699
   94    HD2  ARG  13           HD2      ARG  13   0.753  -3.033  -4.149
   95    HD3  ARG  13           HD1      ARG  13   2.435  -2.734  -3.734
   96    HE   ARG  13           HE       ARG  13   2.391  -5.395  -4.128
   97   HH11  ARG  13          HH11      ARG  13   1.052  -2.800  -6.231
   98   HH12  ARG  13          HH12      ARG  13   1.527  -3.586  -7.647
   99   HH21  ARG  13          HH21      ARG  13   2.946  -6.410  -6.083
  100   HH22  ARG  13          HH22      ARG  13   2.583  -5.693  -7.588
  101    H    VAL  14           H        VAL  14   4.936  -4.755  -0.008
  102    HA   VAL  14           HA       VAL  14   5.565  -7.521  -0.158
  103    HB   VAL  14           HB       VAL  14   6.992  -5.646  -0.907
  104   HG11  VAL  14          HG11      VAL  14   7.689  -5.300   1.976
  105   HG12  VAL  14          HG12      VAL  14   6.848  -4.166   0.925
  106   HG13  VAL  14          3HG1      VAL  14   8.542  -4.559   0.615
  107   HG21  VAL  14          HG21      VAL  14   8.298  -7.695   0.873
  108   HG22  VAL  14          HG22      VAL  14   9.154  -6.719  -0.319
  109   HG23  VAL  14          HG23      VAL  14   7.921  -7.866  -0.842
  110    H    ARG  15           H        ARG  15   5.052  -5.358   2.410
  111    HA   ARG  15           HA       ARG  15   6.011  -6.849   4.611
  112    HB2  ARG  15           HB2      ARG  15   5.024  -4.525   4.737
  113    HB3  ARG  15           HB1      ARG  15   3.436  -5.256   4.577
  114    HG2  ARG  15           HG2      ARG  15   3.942  -6.572   6.662
  115    HG3  ARG  15           HG1      ARG  15   5.383  -5.569   6.846
  116    HD2  ARG  15           HD2      ARG  15   3.640  -4.614   8.174
  117    HD3  ARG  15           HD1      ARG  15   3.914  -3.565   6.781
  118    HE   ARG  15           HE       ARG  15   1.779  -5.563   6.814
  119   HH11  ARG  15          HH11      ARG  15   2.767  -2.167   6.437
  120   HH12  ARG  15          HH12      ARG  15   1.242  -1.646   5.887
  121   HH21  ARG  15          HH21      ARG  15  -0.324  -4.813   6.132
  122   HH22  ARG  15          HH22      ARG  15  -0.562  -3.190   5.720
  123    H    CYS  16           H        CYS  16   2.869  -6.868   2.986
  124    HA   CYS  16           HA       CYS  16   1.842  -9.036   4.454
  125    HB2  CYS  16           HB2      CYS  16   1.000  -7.772   1.870
  126    HB3  CYS  16           HB1      CYS  16   0.146  -9.136   2.582
  127    H    GLN  17           H        GLN  17   3.937  -8.914   1.720
  128    HA   GLN  17           HA       GLN  17   3.425 -11.506   0.724
  129    HB2  GLN  17           HB2      GLN  17   4.699  -9.708  -0.485
  130    HB3  GLN  17           HB1      GLN  17   6.027  -9.944   0.630
  131    HG2  GLN  17           HG2      GLN  17   5.006 -12.119  -1.200
  132    HG3  GLN  17           HG1      GLN  17   6.255 -10.977  -1.665
  133   HE21  GLN  17          1HE2      GLN  17   6.339 -13.876  -1.430
  134   HE22  GLN  17          2HE2      GLN  17   7.634 -14.223  -0.347
  135    H    VAL  18           H        VAL  18   5.612 -10.274   3.189
  136    HA   VAL  18           HA       VAL  18   6.532 -12.967   3.699
  137    HB   VAL  18           HB       VAL  18   8.193 -11.160   3.732
  138   HG11  VAL  18          HG11      VAL  18   6.770 -10.124   6.165
  139   HG12  VAL  18          HG12      VAL  18   6.891  -9.334   4.594
  140   HG13  VAL  18          3HG1      VAL  18   8.337  -9.563   5.579
  141   HG21  VAL  18          HG21      VAL  18   7.873 -12.510   6.411
  142   HG22  VAL  18          HG22      VAL  18   9.356 -11.759   5.823
  143   HG23  VAL  18          HG23      VAL  18   8.693 -13.168   4.996
  144    H    ALA  19           H        ALA  19   4.439 -10.643   5.271
  145    HA   ALA  19           HA       ALA  19   4.233 -12.238   7.670
  146    HB1  ALA  19           HB1      ALA  19   4.214  -9.795   7.801
  147    HB2  ALA  19           HB2      ALA  19   2.743 -10.493   8.483
  148    HB3  ALA  19           HB3      ALA  19   2.713  -9.763   6.879
  149    H    GLU  20           H        GLU  20   1.902 -11.214   5.175
  150    HA   GLU  20           HA       GLU  20  -0.174 -12.881   6.258
  151    HB2  GLU  20           HB2      GLU  20  -0.026 -11.439   3.602
  152    HB3  GLU  20           HB1      GLU  20  -1.450 -12.197   4.303
  153    HG2  GLU  20           HG2      GLU  20   0.027  -9.948   5.617
  154    HG3  GLU  20           HG1      GLU  20  -1.327  -9.708   4.515
  155    H    HIS  21           H        HIS  21   1.572 -12.799   3.192
  156    HA   HIS  21           HA       HIS  21   2.170 -14.301   1.684
  157    HB2  HIS  21           HB2      HIS  21   3.630 -15.016   3.510
  158    HB3  HIS  21           HB1      HIS  21   2.381 -16.105   4.094
  159    HD1  HIS  21           HD1      HIS  21   3.086 -18.416   3.582
  160    HD2  HIS  21           HD2      HIS  21   4.078 -15.787   0.535
  161    HE1  HIS  21           HE1      HIS  21   4.188 -19.809   1.800
  162    H    GLY  22           H        GLY  22   0.453 -14.516   0.378
  163    HA2  GLY  22           HA2      GLY  22  -0.628 -16.954  -0.154
  164    HA3  GLY  22           HA1      GLY  22  -1.776 -16.208   0.961
  165    H    VAL  23           H        VAL  23  -2.233 -16.848  -1.814
  166    HA   VAL  23           HA       VAL  23  -1.851 -14.637  -3.496
  167    HB   VAL  23           HB       VAL  23  -3.956 -16.804  -3.687
  168   HG11  VAL  23          HG11      VAL  23  -4.584 -14.884  -5.044
  169   HG12  VAL  23          HG12      VAL  23  -4.075 -16.221  -6.075
  170   HG13  VAL  23          3HG1      VAL  23  -2.986 -14.865  -5.788
  171   HG21  VAL  23          HG21      VAL  23  -2.410 -17.842  -5.291
  172   HG22  VAL  23          HG22      VAL  23  -1.688 -17.686  -3.690
  173   HG23  VAL  23          HG23      VAL  23  -1.237 -16.565  -4.974
  174    H    GLU  24           H        GLU  24  -4.814 -15.640  -1.805
  175    HA   GLU  24           HA       GLU  24  -6.234 -13.302  -2.561
  176    HB2  GLU  24           HB2      GLU  24  -7.955 -13.984  -0.988
  177    HB3  GLU  24           HB1      GLU  24  -7.403 -15.371  -1.910
  178    HG2  GLU  24           HG2      GLU  24  -6.083 -16.125  -0.016
  179    HG3  GLU  24           HG1      GLU  24  -6.559 -14.698   0.902
  180    H    ARG  25           H        ARG  25  -3.982 -13.943  -0.120
  181    HA   ARG  25           HA       ARG  25  -4.762 -11.840   1.693
  182    HB2  ARG  25           HB2      ARG  25  -2.122 -13.315   1.531
  183    HB3  ARG  25           HB1      ARG  25  -2.729 -12.353   2.874
  184    HG2  ARG  25           HG2      ARG  25  -3.934 -14.930   1.882
  185    HG3  ARG  25           HG1      ARG  25  -2.919 -14.752   3.315
  186    HD2  ARG  25           HD2      ARG  25  -4.567 -13.307   4.336
  187    HD3  ARG  25           HD1      ARG  25  -5.556 -13.363   2.876
  188    HE   ARG  25           HE       ARG  25  -5.110 -15.958   3.773
  189   HH11  ARG  25          HH11      ARG  25  -6.894 -13.062   4.752
  190   HH12  ARG  25          HH12      ARG  25  -8.113 -13.920   5.580
  191   HH21  ARG  25          HH21      ARG  25  -6.830 -17.137   4.873
  192   HH22  ARG  25          HH22      ARG  25  -8.070 -16.276   5.627
  193    H    GLN  26           H        GLN  26  -2.284 -12.368  -0.758
  194    HA   GLN  26           HA       GLN  26  -0.965  -9.912  -0.547
  195    HB2  GLN  26           HB2      GLN  26  -0.188 -11.998  -1.747
  196    HB3  GLN  26           HB1      GLN  26  -1.332 -11.608  -3.012
  197    HG2  GLN  26           HG2      GLN  26   0.892 -10.907  -3.647
  198    HG3  GLN  26           HG1      GLN  26  -0.168  -9.514  -3.433
  199   HE21  GLN  26          1HE2      GLN  26   0.230  -8.086  -1.797
  200   HE22  GLN  26          2HE2      GLN  26   1.688  -8.122  -0.848
  201    H    ARG  27           H        ARG  27  -3.561 -11.060  -2.659
  202    HA   ARG  27           HA       ARG  27  -4.062  -8.734  -4.105
  203    HB2  ARG  27           HB2      ARG  27  -5.023 -10.922  -4.658
  204    HB3  ARG  27           HB1      ARG  27  -6.005 -10.864  -3.204
  205    HG2  ARG  27           HG2      ARG  27  -7.193  -8.914  -4.096
  206    HG3  ARG  27           HG1      ARG  27  -6.228  -9.009  -5.570
  207    HD2  ARG  27           HD2      ARG  27  -8.068 -11.157  -4.519
  208    HD3  ARG  27           HD1      ARG  27  -8.418 -10.067  -5.860
  209    HE   ARG  27           HE       ARG  27  -6.441 -11.072  -6.962
  210   HH11  ARG  27          HH11      ARG  27  -8.312 -12.969  -4.591
  211   HH12  ARG  27          HH12      ARG  27  -7.870 -14.468  -5.239
  212   HH21  ARG  27          HH21      ARG  27  -5.852 -13.158  -7.839
  213   HH22  ARG  27          HH22      ARG  27  -6.460 -14.586  -7.160
  214    H    ARG  28           H        ARG  28  -5.458  -9.845  -1.030
  215    HA   ARG  28           HA       ARG  28  -7.236  -7.756  -0.581
  216    HB2  ARG  28           HB2      ARG  28  -7.186  -9.789   0.805
  217    HB3  ARG  28           HB1      ARG  28  -5.640  -9.293   1.478
  218    HG2  ARG  28           HG2      ARG  28  -7.379  -8.791   3.064
  219    HG3  ARG  28           HG1      ARG  28  -6.733  -7.283   2.420
  220    HD2  ARG  28           HD2      ARG  28  -9.143  -7.136   2.519
  221    HD3  ARG  28           HD1      ARG  28  -8.635  -7.187   0.835
  222    HE   ARG  28           HE       ARG  28  -9.159  -9.786   1.725
  223   HH11  ARG  28          HH11      ARG  28 -10.863  -6.847   0.789
  224   HH12  ARG  28          HH12      ARG  28 -12.347  -7.631   0.493
  225   HH21  ARG  28          HH21      ARG  28 -11.167 -10.870   1.286
  226   HH22  ARG  28          HH22      ARG  28 -12.515  -9.980   0.762
  227    H    CYS  29           H        CYS  29  -3.895  -8.124   0.625
  228    HA   CYS  29           HA       CYS  29  -3.749  -5.603   1.765
  229    HB2  CYS  29           HB2      CYS  29  -1.649  -7.500   0.807
  230    HB3  CYS  29           HB1      CYS  29  -1.243  -5.931   1.489
  231    H    GLN  30           H        GLN  30  -3.121  -6.634  -1.530
  232    HA   GLN  30           HA       GLN  30  -1.856  -4.307  -2.369
  233    HB2  GLN  30           HB2      GLN  30  -1.884  -6.318  -3.709
  234    HB3  GLN  30           HB1      GLN  30  -3.626  -6.220  -3.878
  235    HG2  GLN  30           HG2      GLN  30  -3.461  -4.288  -5.246
  236    HG3  GLN  30           HG1      GLN  30  -1.732  -4.145  -4.926
  237   HE21  GLN  30          1HE2      GLN  30  -4.179  -5.940  -6.586
  238   HE22  GLN  30          2HE2      GLN  30  -3.112  -6.772  -7.653
  239    H    GLN  31           H        GLN  31  -5.302  -5.098  -2.234
  240    HA   GLN  31           HA       GLN  31  -6.160  -2.590  -3.285
  241    HB2  GLN  31           HB2      GLN  31  -7.543  -4.650  -3.331
  242    HB3  GLN  31           HB1      GLN  31  -7.689  -4.564  -1.582
  243    HG2  GLN  31           HG2      GLN  31  -8.794  -2.362  -1.832
  244    HG3  GLN  31           HG1      GLN  31  -8.745  -2.579  -3.582
  245   HE21  GLN  31          1HE2      GLN  31 -11.023  -2.284  -1.804
  246   HE22  GLN  31          2HE2      GLN  31 -12.000  -3.678  -2.054
  247    H    VAL  32           H        VAL  32  -5.865  -3.910  -0.010
  248    HA   VAL  32           HA       VAL  32  -6.923  -1.660   1.334
  249    HB   VAL  32           HB       VAL  32  -5.067  -3.822   2.387
  250   HG11  VAL  32          HG11      VAL  32  -6.727  -1.828   3.938
  251   HG12  VAL  32          HG12      VAL  32  -4.968  -1.826   3.821
  252   HG13  VAL  32          3HG1      VAL  32  -5.796  -3.156   4.630
  253   HG21  VAL  32          HG21      VAL  32  -7.122  -4.776   3.324
  254   HG22  VAL  32          HG22      VAL  32  -7.197  -4.660   1.568
  255   HG23  VAL  32          HG23      VAL  32  -8.057  -3.488   2.564
  256    H    CYS  33           H        CYS  33  -3.581  -2.547   0.578
  257    HA   CYS  33           HA       CYS  33  -2.515  -0.259   1.854
  258    HB2  CYS  33           HB2      CYS  33  -1.257  -2.064  -0.213
  259    HB3  CYS  33           HB1      CYS  33  -0.406  -0.863   0.758
  260    H    GLU  34           H        GLU  34  -3.948  -0.803  -1.221
  261    HA   GLU  34           HA       GLU  34  -2.835   1.556  -2.402
  262    HB2  GLU  34           HB2      GLU  34  -3.696  -0.463  -3.689
  263    HB3  GLU  34           HB1      GLU  34  -5.308   0.033  -3.226
  264    HG2  GLU  34           HG2      GLU  34  -5.175   2.017  -4.502
  265    HG3  GLU  34           HG1      GLU  34  -3.445   1.799  -4.775
  266    H    LYS  35           H        LYS  35  -5.648   0.669  -0.545
  267    HA   LYS  35           HA       LYS  35  -7.033   3.146  -0.722
  268    HB2  LYS  35           HB2      LYS  35  -7.473   0.666   0.503
  269    HB3  LYS  35           HB1      LYS  35  -7.285   1.764   1.855
  270    HG2  LYS  35           HG2      LYS  35  -9.275   2.096  -0.394
  271    HG3  LYS  35           HG1      LYS  35  -9.636   1.430   1.190
  272    HD2  LYS  35           HD2      LYS  35  -8.607   4.229   0.712
  273    HD3  LYS  35           HD1      LYS  35 -10.314   3.811   0.871
  274    HE2  LYS  35           HE2      LYS  35  -9.839   2.922   3.131
  275    HE3  LYS  35           HE1      LYS  35  -8.163   3.434   2.941
  276    HZ1  LYS  35           HZ1      LYS  35 -10.519   5.250   2.912
  277    HZ2  LYS  35           HZ2      LYS  35  -8.915   5.742   2.798
  278    HZ3  LYS  35           HZ3      LYS  35  -9.489   5.011   4.208
  279    H    ARG  36           H        ARG  36  -4.591   1.804   1.405
  280    HA   ARG  36           HA       ARG  36  -4.250   3.983   3.153
  281    HB2  ARG  36           HB2      ARG  36  -2.315   1.832   2.293
  282    HB3  ARG  36           HB1      ARG  36  -1.957   3.004   3.551
  283    HG2  ARG  36           HG2      ARG  36  -3.782   2.173   4.907
  284    HG3  ARG  36           HG1      ARG  36  -4.273   1.083   3.614
  285    HD2  ARG  36           HD2      ARG  36  -3.030  -0.026   5.415
  286    HD3  ARG  36           HD1      ARG  36  -2.242  -0.180   3.848
  287    HE   ARG  36           HE       ARG  36  -0.889   1.852   4.762
  288   HH11  ARG  36          HH11      ARG  36  -1.929  -0.977   6.606
  289   HH12  ARG  36          HH12      ARG  36  -0.631  -0.930   7.701
  290   HH21  ARG  36          HH21      ARG  36   0.939   1.876   6.166
  291   HH22  ARG  36          HH22      ARG  36   1.076   0.766   7.448
  292    H    LEU  37           H        LEU  37  -2.683   3.173   0.115
  293    HA   LEU  37           HA       LEU  37  -0.932   5.360  -0.025
  294    HB2  LEU  37           HB2      LEU  37  -0.829   3.269  -1.367
  295    HB3  LEU  37           HB1      LEU  37  -2.235   3.776  -2.241
  296    HG   LEU  37           HG       LEU  37   0.007   4.008  -3.443
  297   HD11  LEU  37          HD11      LEU  37  -1.740   6.439  -3.264
  298   HD12  LEU  37          HD12      LEU  37  -1.972   5.024  -4.298
  299   HD13  LEU  37          HD13      LEU  37  -0.578   6.077  -4.550
  300   HD21  LEU  37          HD21      LEU  37   1.292   6.049  -3.001
  301   HD22  LEU  37          HD22      LEU  37   1.308   4.957  -1.616
  302   HD23  LEU  37          HD23      LEU  37   0.273   6.385  -1.603
  303    H    ARG  38           H        ARG  38  -4.242   4.885  -1.057
  304    HA   ARG  38           HA       ARG  38  -4.654   7.343  -2.334
  305    HB2  ARG  38           HB2      ARG  38  -6.133   5.346  -2.505
  306    HB3  ARG  38           HB1      ARG  38  -6.664   5.631  -0.858
  307    HG2  ARG  38           HG2      ARG  38  -7.679   7.726  -1.518
  308    HG3  ARG  38           HG1      ARG  38  -7.071   7.522  -3.162
  309    HD2  ARG  38           HD2      ARG  38  -8.370   5.445  -3.364
  310    HD3  ARG  38           HD1      ARG  38  -9.021   5.697  -1.755
  311    HE   ARG  38           HE       ARG  38  -9.530   7.993  -3.216
  312   HH11  ARG  38          HH11      ARG  38 -10.532   4.591  -3.283
  313   HH12  ARG  38          HH12      ARG  38 -12.023   4.922  -4.034
  314   HH21  ARG  38          HH21      ARG  38 -11.536   8.416  -4.221
  315   HH22  ARG  38          HH22      ARG  38 -12.610   7.121  -4.586
  316    H    GLU  39           H        GLU  39  -4.701   6.427   1.036
  317    HA   GLU  39           HA       GLU  39  -5.705   8.940   2.002
  318    HB2  GLU  39           HB2      GLU  39  -4.009   6.888   3.439
  319    HB3  GLU  39           HB1      GLU  39  -4.880   8.209   4.193
  320    HG2  GLU  39           HG2      GLU  39  -6.076   5.840   2.782
  321    HG3  GLU  39           HG1      GLU  39  -6.040   6.127   4.520
  322    H    ARG  40           H        ARG  40  -2.547   7.440   1.698
  323    HA   ARG  40           HA       ARG  40  -0.859   9.383   2.737
  324    HB2  ARG  40           HB2      ARG  40  -0.023   7.180   2.143
  325    HB3  ARG  40           HB1      ARG  40  -0.427   7.440   0.456
  326    HG2  ARG  40           HG2      ARG  40   1.947   7.616   0.747
  327    HG3  ARG  40           HG1      ARG  40   1.294   9.199   0.343
  328    HD2  ARG  40           HD2      ARG  40   2.886   9.543   2.064
  329    HD3  ARG  40           HD1      ARG  40   1.306   9.692   2.830
  330    HE   ARG  40           HE       ARG  40   2.358   7.048   2.962
  331   HH11  ARG  40          HH11      ARG  40   2.240  10.169   4.671
  332   HH12  ARG  40          HH12      ARG  40   3.005   9.561   6.057
  333   HH21  ARG  40          HH21      ARG  40   3.527   6.277   4.887
  334   HH22  ARG  40          HH22      ARG  40   3.744   7.377   6.175
  335    H    GLU  41           H        GLU  41  -1.918   8.973  -0.590
  336    HA   GLU  41           HA       GLU  41  -0.701  11.412  -1.430
  337    HB2  GLU  41           HB2      GLU  41  -2.444   9.398  -2.805
  338    HB3  GLU  41           HB1      GLU  41  -1.947  10.893  -3.586
  339    HG2  GLU  41           HG2      GLU  41  -0.049   8.861  -2.443
  340    HG3  GLU  41           HG1      GLU  41  -0.508   8.962  -4.145
  341    H    GLY  42           H        GLY  42  -4.013  10.374  -0.697
  342    HA2  GLY  42           HA2      GLY  42  -5.335  12.624  -1.726
  343    HA3  GLY  42           HA1      GLY  42  -5.961  11.514  -0.518
  344    H    ARG  43           H        ARG  43  -3.800  12.103   1.356
  345    HA   ARG  43           HA       ARG  43  -4.940  14.363   2.642
  346    HB2  ARG  43           HB2      ARG  43  -3.896  12.471   3.850
  347    HB3  ARG  43           HB1      ARG  43  -2.331  12.951   3.218
  348    HG2  ARG  43           HG2      ARG  43  -2.464  15.054   4.435
  349    HG3  ARG  43           HG1      ARG  43  -4.058  14.605   5.048
  350    HD2  ARG  43           HD2      ARG  43  -3.078  12.648   6.122
  351    HD3  ARG  43           HD1      ARG  43  -1.481  13.132   5.548
  352    HE   ARG  43           HE       ARG  43  -2.341  15.293   6.898
  353   HH11  ARG  43          HH11      ARG  43  -2.030  11.874   7.761
  354   HH12  ARG  43          HH12      ARG  43  -1.820  12.183   9.430
  355   HH21  ARG  43          HH21      ARG  43  -2.035  15.691   9.190
  356   HH22  ARG  43          HH22      ARG  43  -1.807  14.364  10.240
  357    H    ARG  44           H        ARG  44  -2.438  13.947   0.358
  358    HA   ARG  44           HA       ARG  44  -1.267  16.561   0.876
  359    HB2  ARG  44           HB2      ARG  44  -0.550  14.396  -1.096
  360    HB3  ARG  44           HB1      ARG  44   0.293  15.929  -0.966
  361    HG2  ARG  44           HG2      ARG  44   0.084  13.864   1.206
  362    HG3  ARG  44           HG1      ARG  44   1.472  14.110   0.143
  363    HD2  ARG  44           HD2      ARG  44   1.776  16.347   1.008
  364    HD3  ARG  44           HD1      ARG  44   0.349  16.174   2.031
  365    HE   ARG  44           HE       ARG  44   1.937  14.089   2.703
  366   HH11  ARG  44          HH11      ARG  44   2.448  17.577   2.592
  367   HH12  ARG  44          HH12      ARG  44   3.469  17.619   3.957
  368   HH21  ARG  44          HH21      ARG  44   3.340  14.111   4.542
  369   HH22  ARG  44          HH22      ARG  44   3.970  15.587   5.099
  370    H    GLU  45           H        GLU  45  -2.534  14.777  -1.927
  371    HA   GLU  45           HA       GLU  45  -3.585  17.307  -2.960
  372    HB2  GLU  45           HB2      GLU  45  -2.157  15.136  -4.496
  373    HB3  GLU  45           HB1      GLU  45  -2.995  16.484  -5.231
  374    HG2  GLU  45           HG2      GLU  45  -0.595  16.709  -3.423
  375    HG3  GLU  45           HG1      GLU  45  -0.560  16.772  -5.184
  376    H    VAL  46           H        VAL  46  -5.582  17.092  -3.881
  377    HA   VAL  46           HA       VAL  46  -6.841  14.468  -3.694
  378    HB   VAL  46           HB       VAL  46  -8.988  15.649  -4.207
  379   HG11  VAL  46          HG11      VAL  46  -7.424  16.783  -1.895
  380   HG12  VAL  46          HG12      VAL  46  -8.353  15.286  -1.901
  381   HG13  VAL  46          3HG1      VAL  46  -9.176  16.837  -2.064
  382   HG21  VAL  46          HG21      VAL  46  -9.051  18.113  -4.141
  383   HG22  VAL  46          HG22      VAL  46  -8.116  17.513  -5.510
  384   HG23  VAL  46          HG23      VAL  46  -7.287  18.147  -4.088
  385    H    ASP  47           H        ASP  47  -5.018  15.925  -5.761
  386    HA   ASP  47           HA       ASP  47  -6.392  15.464  -8.259
  387    HB2  ASP  47           HB2      ASP  47  -4.746  17.316  -7.986
  388    HB3  ASP  47           HB1      ASP  47  -3.485  16.118  -7.726
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1   6.386  10.855   9.319
    2    H3   PRO   1           HT2      PRO   1   6.141  11.976  10.457
    3    HA   PRO   1           HA       PRO   1   7.916  13.031  10.180
    4    HB2  PRO   1           HB2      PRO   1   9.672  11.126   8.922
    5    HB3  PRO   1           HB1      PRO   1   9.909  12.048  10.410
    6    HG2  PRO   1           HG2      PRO   1   9.008   9.294  10.110
    7    HG3  PRO   1           HG1      PRO   1   9.506  10.153  11.573
    8    HD2  PRO   1           HD2      PRO   1   6.915   9.383  11.045
    9    HD3  PRO   1           HD1      PRO   1   7.346  10.721  12.115
   10    H    ARG   2           H        ARG   2   7.770  10.461   7.620
   11    HA   ARG   2           HA       ARG   2   7.411  12.663   5.726
   12    HB2  ARG   2           HB2      ARG   2   8.843  10.046   5.286
   13    HB3  ARG   2           HB1      ARG   2   8.477  11.198   4.017
   14    HG2  ARG   2           HG2      ARG   2   9.885  12.860   5.106
   15    HG3  ARG   2           HG1      ARG   2  10.236  11.718   6.404
   16    HD2  ARG   2           HD2      ARG   2  10.891  11.335   3.489
   17    HD3  ARG   2           HD1      ARG   2  12.040  11.791   4.739
   18    HE   ARG   2           HE       ARG   2  10.573   9.312   5.129
   19   HH11  ARG   2          HH11      ARG   2  13.660  10.845   4.291
   20   HH12  ARG   2          HH12      ARG   2  14.522   9.369   4.279
   21   HH21  ARG   2          HH21      ARG   2  11.781   7.311   5.113
   22   HH22  ARG   2          HH22      ARG   2  13.442   7.339   4.785
   23    H    GLY   3           H        GLY   3   6.179  12.105   3.803
   24    HA2  GLY   3           HA2      GLY   3   4.331   9.872   4.259
   25    HA3  GLY   3           HA1      GLY   3   3.753  11.452   3.739
   26    H    SER   4           H        SER   4   6.309   9.175   2.802
   27    HA   SER   4           HA       SER   4   6.075   9.879   0.052
   28    HB2  SER   4           HB2      SER   4   7.488   7.528   1.323
   29    HB3  SER   4           HB1      SER   4   7.799   8.225  -0.269
   30    HG   SER   4           HG       SER   4   8.045  10.243   1.225
   31    HA   PRO   5           HA       PRO   5   2.622   7.169  -0.553
   32    HB2  PRO   5           HB2      PRO   5   2.487   7.320  -3.275
   33    HB3  PRO   5           HB1      PRO   5   1.856   8.556  -2.185
   34    HG2  PRO   5           HG2      PRO   5   4.419   8.505  -3.712
   35    HG3  PRO   5           HG1      PRO   5   3.331   9.866  -3.393
   36    HD2  PRO   5           HD2      PRO   5   5.642   9.467  -2.017
   37    HD3  PRO   5           HD1      PRO   5   4.218  10.251  -1.311
   38    H    ARG   6           H        ARG   6   5.356   6.666  -2.845
   39    HA   ARG   6           HA       ARG   6   4.443   4.079  -3.531
   40    HB2  ARG   6           HB2      ARG   6   7.101   5.376  -4.022
   41    HB3  ARG   6           HB1      ARG   6   6.711   3.766  -4.580
   42    HG2  ARG   6           HG2      ARG   6   4.796   4.716  -5.831
   43    HG3  ARG   6           HG1      ARG   6   5.344   6.327  -5.355
   44    HD2  ARG   6           HD2      ARG   6   6.147   5.770  -7.582
   45    HD3  ARG   6           HD1      ARG   6   7.488   5.912  -6.451
   46    HE   ARG   6           HE       ARG   6   6.853   3.264  -6.448
   47   HH11  ARG   6          HH11      ARG   6   7.789   5.587  -8.946
   48   HH12  ARG   6          HH12      ARG   6   8.564   4.452  -9.938
   49   HH21  ARG   6          HH21      ARG   6   7.955   1.686  -7.779
   50   HH22  ARG   6          HH22      ARG   6   8.672   2.156  -9.241
   51    H    THR   7           H        THR   7   6.711   5.132  -1.085
   52    HA   THR   7           HA       THR   7   7.876   2.599  -0.720
   53    HB   THR   7           HB       THR   7   8.659   3.616   1.446
   54    HG1  THR   7           HG1      THR   7   7.749   5.370   2.077
   55   HG21  THR   7          HG21      THR   7   9.078   5.224  -1.081
   56   HG22  THR   7          HG22      THR   7   9.986   3.789  -0.604
   57   HG23  THR   7          HG23      THR   7  10.117   5.271   0.344
   58    H    GLU   8           H        GLU   8   5.393   4.362   1.107
   59    HA   GLU   8           HA       GLU   8   4.870   2.370   3.015
   60    HB2  GLU   8           HB2      GLU   8   3.118   4.565   1.952
   61    HB3  GLU   8           HB1      GLU   8   2.711   3.577   3.344
   62    HG2  GLU   8           HG2      GLU   8   5.131   5.364   3.116
   63    HG3  GLU   8           HG1      GLU   8   3.659   5.730   4.019
   64    H    TYR   9           H        TYR   9   3.523   2.956  -0.186
   65    HA   TYR   9           HA       TYR   9   1.401   1.184  -0.021
   66    HB2  TYR   9           HB2      TYR   9   1.323   2.849  -1.645
   67    HB3  TYR   9           HB1      TYR   9   2.968   2.546  -2.176
   68    HD1  TYR   9           HD1      TYR   9   3.421   1.072  -3.777
   69    HD2  TYR   9           HD2      TYR   9  -0.429   1.263  -2.209
   70    HE1  TYR   9           HE1      TYR   9   2.668  -0.412  -5.632
   71    HE2  TYR   9           HE2      TYR   9  -1.286  -0.200  -4.017
   72    HH   TYR   9           HH       TYR   9  -0.736  -0.882  -6.211
   73    H    GLU  10           H        GLU  10   4.671   0.899  -1.389
   74    HA   GLU  10           HA       GLU  10   4.320  -1.773  -2.227
   75    HB2  GLU  10           HB2      GLU  10   5.942  -0.117  -3.193
   76    HB3  GLU  10           HB1      GLU  10   6.923  -0.314  -1.750
   77    HG2  GLU  10           HG2      GLU  10   7.762  -1.627  -3.622
   78    HG3  GLU  10           HG1      GLU  10   7.258  -2.661  -2.278
   79    H    ALA  11           H        ALA  11   5.573  -0.275   0.698
   80    HA   ALA  11           HA       ALA  11   6.749  -2.480   1.892
   81    HB1  ALA  11           HB1      ALA  11   5.241  -0.261   3.263
   82    HB2  ALA  11           HB2      ALA  11   6.931  -0.194   2.774
   83    HB3  ALA  11           HB3      ALA  11   6.417  -1.337   4.017
   84    H    CYS  12           H        CYS  12   3.401  -1.392   1.978
   85    HA   CYS  12           HA       CYS  12   2.378  -3.304   3.720
   86    HB2  CYS  12           HB2      CYS  12   1.048  -1.399   3.104
   87    HB3  CYS  12           HB1      CYS  12   1.066  -1.872   1.408
   88    H    ARG  13           H        ARG  13   2.942  -3.485   0.239
   89    HA   ARG  13           HA       ARG  13   1.485  -5.905  -0.089
   90    HB2  ARG  13           HB2      ARG  13   3.605  -4.815  -1.936
   91    HB3  ARG  13           HB1      ARG  13   2.376  -6.007  -2.327
   92    HG2  ARG  13           HG2      ARG  13   0.696  -4.167  -1.722
   93    HG3  ARG  13           HG1      ARG  13   2.069  -3.072  -1.863
   94    HD2  ARG  13           HD2      ARG  13   0.987  -4.913  -3.984
   95    HD3  ARG  13           HD1      ARG  13   0.867  -3.162  -3.947
   96    HE   ARG  13           HE       ARG  13   3.542  -3.597  -3.941
   97   HH11  ARG  13          HH11      ARG  13   0.972  -4.982  -5.961
   98   HH12  ARG  13          HH12      ARG  13   1.908  -4.956  -7.380
   99   HH21  ARG  13          HH21      ARG  13   4.773  -3.528  -5.844
  100   HH22  ARG  13          HH22      ARG  13   4.147  -4.138  -7.322
  101    H    VAL  14           H        VAL  14   4.913  -5.144   0.198
  102    HA   VAL  14           HA       VAL  14   5.770  -7.842  -0.029
  103    HB   VAL  14           HB       VAL  14   7.208  -5.513   1.283
  104   HG11  VAL  14          HG11      VAL  14   8.290  -8.131   0.226
  105   HG12  VAL  14          HG12      VAL  14   8.167  -7.673   1.924
  106   HG13  VAL  14          3HG1      VAL  14   9.260  -6.796   0.851
  107   HG21  VAL  14          HG21      VAL  14   6.639  -5.025  -1.019
  108   HG22  VAL  14          HG22      VAL  14   7.336  -6.562  -1.534
  109   HG23  VAL  14          HG23      VAL  14   8.375  -5.305  -0.861
  110    H    ARG  15           H        ARG  15   4.909  -5.783   2.698
  111    HA   ARG  15           HA       ARG  15   5.684  -7.396   4.825
  112    HB2  ARG  15           HB2      ARG  15   4.600  -5.002   4.777
  113    HB3  ARG  15           HB1      ARG  15   3.081  -5.866   4.819
  114    HG2  ARG  15           HG2      ARG  15   5.233  -6.113   6.921
  115    HG3  ARG  15           HG1      ARG  15   3.862  -5.020   7.029
  116    HD2  ARG  15           HD2      ARG  15   3.702  -8.032   6.858
  117    HD3  ARG  15           HD1      ARG  15   3.568  -7.085   8.338
  118    HE   ARG  15           HE       ARG  15   1.681  -6.262   6.370
  119   HH11  ARG  15          HH11      ARG  15   2.251  -8.675   8.894
  120   HH12  ARG  15          HH12      ARG  15   0.616  -9.038   9.135
  121   HH21  ARG  15          HH21      ARG  15  -0.566  -6.723   6.691
  122   HH22  ARG  15          HH22      ARG  15  -1.069  -7.858   7.850
  123    H    CYS  16           H        CYS  16   2.586  -7.307   3.080
  124    HA   CYS  16           HA       CYS  16   1.661  -9.594   4.468
  125    HB2  CYS  16           HB2      CYS  16   0.559  -8.163   2.061
  126    HB3  CYS  16           HB1      CYS  16  -0.241  -9.533   2.835
  127    H    GLN  17           H        GLN  17   3.489  -9.186   1.575
  128    HA   GLN  17           HA       GLN  17   2.907 -11.702   0.450
  129    HB2  GLN  17           HB2      GLN  17   3.919  -9.829  -0.817
  130    HB3  GLN  17           HB1      GLN  17   5.393 -10.011   0.121
  131    HG2  GLN  17           HG2      GLN  17   5.742 -12.214  -0.791
  132    HG3  GLN  17           HG1      GLN  17   4.224 -12.113  -1.683
  133   HE21  GLN  17          1HE2      GLN  17   4.699  -9.282  -2.400
  134   HE22  GLN  17          2HE2      GLN  17   5.895  -9.329  -3.623
  135    H    VAL  18           H        VAL  18   5.320 -10.600   2.767
  136    HA   VAL  18           HA       VAL  18   6.343 -13.312   2.929
  137    HB   VAL  18           HB       VAL  18   8.019 -11.525   2.822
  138   HG11  VAL  18          HG11      VAL  18   8.433 -10.019   4.716
  139   HG12  VAL  18          HG12      VAL  18   6.932 -10.579   5.461
  140   HG13  VAL  18          3HG1      VAL  18   6.885  -9.720   3.924
  141   HG21  VAL  18          HG21      VAL  18   8.654 -13.589   3.926
  142   HG22  VAL  18          HG22      VAL  18   8.041 -12.981   5.463
  143   HG23  VAL  18          HG23      VAL  18   9.443 -12.219   4.711
  144    H    ALA  19           H        ALA  19   4.644 -11.010   5.058
  145    HA   ALA  19           HA       ALA  19   4.829 -12.783   7.288
  146    HB1  ALA  19           HB1      ALA  19   3.066 -10.364   6.971
  147    HB2  ALA  19           HB2      ALA  19   4.714 -10.349   7.598
  148    HB3  ALA  19           HB3      ALA  19   3.441 -11.197   8.478
  149    H    GLU  20           H        GLU  20   2.219 -11.885   5.084
  150    HA   GLU  20           HA       GLU  20   0.411 -13.734   6.354
  151    HB2  GLU  20           HB2      GLU  20   0.145 -12.267   3.711
  152    HB3  GLU  20           HB1      GLU  20  -1.140 -13.136   4.528
  153    HG2  GLU  20           HG2      GLU  20   0.253 -10.682   5.585
  154    HG3  GLU  20           HG1      GLU  20  -1.307 -10.680   4.787
  155    H    HIS  21           H        HIS  21   1.999 -13.414   3.229
  156    HA   HIS  21           HA       HIS  21   2.684 -14.830   1.651
  157    HB2  HIS  21           HB2      HIS  21   4.026 -15.923   3.441
  158    HB3  HIS  21           HB1      HIS  21   2.647 -16.938   3.842
  159    HD1  HIS  21           HD1      HIS  21   2.366 -19.094   2.467
  160    HD2  HIS  21           HD2      HIS  21   5.270 -16.534   0.974
  161    HE1  HIS  21           HE1      HIS  21   3.552 -20.372   0.666
  162    H    GLY  22           H        GLY  22   0.934 -14.635   0.414
  163    HA2  GLY  22           HA2      GLY  22  -0.422 -16.765  -0.456
  164    HA3  GLY  22           HA1      GLY  22  -1.431 -16.173   0.866
  165    H    VAL  23           H        VAL  23  -1.305 -16.130  -2.260
  166    HA   VAL  23           HA       VAL  23  -1.178 -13.544  -3.225
  167    HB   VAL  23           HB       VAL  23  -3.047 -15.722  -4.214
  168   HG11  VAL  23          HG11      VAL  23  -3.636 -13.551  -5.133
  169   HG12  VAL  23          HG12      VAL  23  -2.919 -14.576  -6.378
  170   HG13  VAL  23          3HG1      VAL  23  -1.966 -13.293  -5.635
  171   HG21  VAL  23          HG21      VAL  23  -1.265 -16.261  -5.805
  172   HG22  VAL  23          HG22      VAL  23  -0.737 -16.487  -4.137
  173   HG23  VAL  23          HG23      VAL  23  -0.223 -15.064  -5.038
  174    H    GLU  24           H        GLU  24  -3.962 -15.218  -1.838
  175    HA   GLU  24           HA       GLU  24  -5.866 -13.264  -2.368
  176    HB2  GLU  24           HB2      GLU  24  -7.238 -14.262  -0.582
  177    HB3  GLU  24           HB1      GLU  24  -6.542 -15.488  -1.626
  178    HG2  GLU  24           HG2      GLU  24  -4.910 -16.048   0.063
  179    HG3  GLU  24           HG1      GLU  24  -5.453 -14.708   1.065
  180    H    ARG  25           H        ARG  25  -3.851 -13.634   0.542
  181    HA   ARG  25           HA       ARG  25  -4.998 -11.306   1.728
  182    HB2  ARG  25           HB2      ARG  25  -2.606 -12.934   2.554
  183    HB3  ARG  25           HB1      ARG  25  -3.184 -11.538   3.450
  184    HG2  ARG  25           HG2      ARG  25  -5.383 -12.699   3.694
  185    HG3  ARG  25           HG1      ARG  25  -4.639 -14.126   2.971
  186    HD2  ARG  25           HD2      ARG  25  -2.987 -14.188   4.755
  187    HD3  ARG  25           HD1      ARG  25  -3.672 -12.725   5.451
  188    HE   ARG  25           HE       ARG  25  -5.370 -15.060   5.141
  189   HH11  ARG  25          HH11      ARG  25  -3.594 -12.846   7.305
  190   HH12  ARG  25          HH12      ARG  25  -4.311 -13.450   8.727
  191   HH21  ARG  25          HH21      ARG  25  -6.366 -15.854   7.108
  192   HH22  ARG  25          HH22      ARG  25  -5.958 -15.189   8.616
  193    H    GLN  26           H        GLN  26  -2.114 -11.973  -0.095
  194    HA   GLN  26           HA       GLN  26  -0.819  -9.508   0.207
  195    HB2  GLN  26           HB2      GLN  26   0.342 -11.315  -0.814
  196    HB3  GLN  26           HB1      GLN  26  -0.908 -11.534  -2.021
  197    HG2  GLN  26           HG2      GLN  26  -0.239  -9.461  -3.107
  198    HG3  GLN  26           HG1      GLN  26   0.976  -9.187  -1.858
  199   HE21  GLN  26          1HE2      GLN  26   2.580  -9.180  -3.540
  200   HE22  GLN  26          2HE2      GLN  26   3.125 -10.666  -4.206
  201    H    ARG  27           H        ARG  27  -3.269 -10.583  -2.095
  202    HA   ARG  27           HA       ARG  27  -3.522  -8.152  -3.494
  203    HB2  ARG  27           HB2      ARG  27  -4.292 -10.392  -4.283
  204    HB3  ARG  27           HB1      ARG  27  -5.581 -10.318  -3.097
  205    HG2  ARG  27           HG2      ARG  27  -6.488  -8.342  -4.200
  206    HG3  ARG  27           HG1      ARG  27  -5.202  -8.431  -5.408
  207    HD2  ARG  27           HD2      ARG  27  -5.966 -10.690  -6.012
  208    HD3  ARG  27           HD1      ARG  27  -7.285 -10.530  -4.862
  209    HE   ARG  27           HE       ARG  27  -7.188  -8.452  -6.830
  210   HH11  ARG  27          HH11      ARG  27  -8.417 -11.711  -6.115
  211   HH12  ARG  27          HH12      ARG  27  -9.674 -11.633  -7.252
  212   HH21  ARG  27          HH21      ARG  27  -8.925  -8.365  -8.419
  213   HH22  ARG  27          HH22      ARG  27  -9.952  -9.722  -8.584
  214    H    ARG  28           H        ARG  28  -5.296  -9.562  -0.765
  215    HA   ARG  28           HA       ARG  28  -7.196  -7.546  -0.369
  216    HB2  ARG  28           HB2      ARG  28  -5.865  -9.342   1.656
  217    HB3  ARG  28           HB1      ARG  28  -7.191  -8.275   2.060
  218    HG2  ARG  28           HG2      ARG  28  -7.290 -10.522   0.063
  219    HG3  ARG  28           HG1      ARG  28  -7.937 -10.565   1.703
  220    HD2  ARG  28           HD2      ARG  28  -9.480  -8.767   1.151
  221    HD3  ARG  28           HD1      ARG  28  -8.816  -8.676  -0.479
  222    HE   ARG  28           HE       ARG  28  -9.559 -11.243  -0.218
  223   HH11  ARG  28          HH11      ARG  28 -11.253  -8.184   0.206
  224   HH12  ARG  28          HH12      ARG  28 -12.756  -8.783  -0.329
  225   HH21  ARG  28          HH21      ARG  28 -11.582 -12.068  -0.922
  226   HH22  ARG  28          HH22      ARG  28 -12.960 -11.062  -0.971
  227    H    CYS  29           H        CYS  29  -3.966  -7.834   1.052
  228    HA   CYS  29           HA       CYS  29  -4.038  -5.445   2.464
  229    HB2  CYS  29           HB2      CYS  29  -1.750  -7.080   1.358
  230    HB3  CYS  29           HB1      CYS  29  -1.502  -5.639   2.341
  231    H    GLN  30           H        GLN  30  -2.790  -6.162  -0.829
  232    HA   GLN  30           HA       GLN  30  -1.910  -3.580  -1.365
  233    HB2  GLN  30           HB2      GLN  30  -1.235  -5.383  -2.819
  234    HB3  GLN  30           HB1      GLN  30  -2.905  -5.684  -3.292
  235    HG2  GLN  30           HG2      GLN  30  -3.017  -3.525  -4.396
  236    HG3  GLN  30           HG1      GLN  30  -1.387  -3.141  -3.865
  237   HE21  GLN  30          1HE2      GLN  30  -2.591  -3.349  -6.533
  238   HE22  GLN  30          2HE2      GLN  30  -1.590  -4.464  -7.391
  239    H    GLN  31           H        GLN  31  -5.073  -5.039  -1.972
  240    HA   GLN  31           HA       GLN  31  -6.294  -3.029  -3.420
  241    HB2  GLN  31           HB2      GLN  31  -7.258  -5.267  -2.855
  242    HB3  GLN  31           HB1      GLN  31  -7.596  -4.659  -1.243
  243    HG2  GLN  31           HG2      GLN  31  -9.015  -2.894  -2.270
  244    HG3  GLN  31           HG1      GLN  31  -8.779  -3.681  -3.830
  245   HE21  GLN  31          1HE2      GLN  31 -11.214  -3.257  -2.384
  246   HE22  GLN  31          2HE2      GLN  31 -11.912  -4.812  -2.108
  247    H    VAL  32           H        VAL  32  -6.227  -3.420   0.094
  248    HA   VAL  32           HA       VAL  32  -7.619  -0.992   0.597
  249    HB   VAL  32           HB       VAL  32  -6.045  -2.775   2.473
  250   HG11  VAL  32          HG11      VAL  32  -7.921  -0.496   3.115
  251   HG12  VAL  32          HG12      VAL  32  -6.175  -0.505   3.381
  252   HG13  VAL  32          3HG1      VAL  32  -7.213  -1.614   4.281
  253   HG21  VAL  32          HG21      VAL  32  -8.244  -3.522   3.187
  254   HG22  VAL  32          HG22      VAL  32  -7.993  -3.818   1.463
  255   HG23  VAL  32          HG23      VAL  32  -9.000  -2.469   1.991
  256    H    CYS  33           H        CYS  33  -4.190  -1.919   0.920
  257    HA   CYS  33           HA       CYS  33  -3.374   0.597   1.852
  258    HB2  CYS  33           HB2      CYS  33  -1.790  -1.577   0.479
  259    HB3  CYS  33           HB1      CYS  33  -1.066  -0.174   1.260
  260    H    GLU  34           H        GLU  34  -3.859  -0.581  -1.420
  261    HA   GLU  34           HA       GLU  34  -2.634   1.684  -2.641
  262    HB2  GLU  34           HB2      GLU  34  -3.082  -0.607  -3.764
  263    HB3  GLU  34           HB1      GLU  34  -4.737  -0.087  -3.845
  264    HG2  GLU  34           HG2      GLU  34  -4.272   1.728  -5.272
  265    HG3  GLU  34           HG1      GLU  34  -2.535   1.547  -5.046
  266    H    LYS  35           H        LYS  35  -5.939   0.763  -1.650
  267    HA   LYS  35           HA       LYS  35  -7.252   2.872  -2.824
  268    HB2  LYS  35           HB2      LYS  35  -8.225   0.797  -1.754
  269    HB3  LYS  35           HB1      LYS  35  -7.965   1.595  -0.208
  270    HG2  LYS  35           HG2      LYS  35  -9.360   3.426  -0.892
  271    HG3  LYS  35           HG1      LYS  35  -9.591   2.667  -2.465
  272    HD2  LYS  35           HD2      LYS  35 -10.480   0.673  -1.167
  273    HD3  LYS  35           HD1      LYS  35 -10.573   1.782   0.208
  274    HE2  LYS  35           HE2      LYS  35 -11.710   2.255  -2.471
  275    HE3  LYS  35           HE1      LYS  35 -12.657   1.626  -1.111
  276    HZ1  LYS  35           HZ1      LYS  35 -11.319   4.317  -1.263
  277    HZ2  LYS  35           HZ2      LYS  35 -12.201   3.729   0.059
  278    HZ3  LYS  35           HZ3      LYS  35 -12.974   4.031  -1.398
  279    H    ARG  36           H        ARG  36  -6.001   2.501   0.481
  280    HA   ARG  36           HA       ARG  36  -6.755   5.044   1.410
  281    HB2  ARG  36           HB2      ARG  36  -4.334   3.462   2.296
  282    HB3  ARG  36           HB1      ARG  36  -5.130   4.747   3.192
  283    HG2  ARG  36           HG2      ARG  36  -7.153   3.339   3.340
  284    HG3  ARG  36           HG1      ARG  36  -6.273   2.040   2.535
  285    HD2  ARG  36           HD2      ARG  36  -5.677   3.282   5.220
  286    HD3  ARG  36           HD1      ARG  36  -6.237   1.644   4.898
  287    HE   ARG  36           HE       ARG  36  -3.638   2.552   3.890
  288   HH11  ARG  36          HH11      ARG  36  -5.493   0.253   5.930
  289   HH12  ARG  36          HH12      ARG  36  -4.117  -0.640   6.350
  290   HH21  ARG  36          HH21      ARG  36  -1.749   1.253   4.537
  291   HH22  ARG  36          HH22      ARG  36  -1.998  -0.079   5.539
  292    H    LEU  37           H        LEU  37  -3.914   3.945  -0.251
  293    HA   LEU  37           HA       LEU  37  -2.318   6.247  -0.141
  294    HB2  LEU  37           HB2      LEU  37  -1.810   3.821  -0.905
  295    HB3  LEU  37           HB1      LEU  37  -2.508   4.278  -2.430
  296    HG   LEU  37           HG       LEU  37  -0.063   4.239  -2.454
  297   HD11  LEU  37          HD11      LEU  37  -1.154   5.669  -4.026
  298   HD12  LEU  37          HD12      LEU  37   0.362   6.390  -3.481
  299   HD13  LEU  37          HD13      LEU  37  -1.181   6.995  -2.860
  300   HD21  LEU  37          HD21      LEU  37   1.214   5.907  -1.260
  301   HD22  LEU  37          HD22      LEU  37   0.342   4.847  -0.153
  302   HD23  LEU  37          HD23      LEU  37  -0.246   6.483  -0.460
  303    H    ARG  38           H        ARG  38  -4.578   5.028  -2.568
  304    HA   ARG  38           HA       ARG  38  -4.525   7.150  -4.368
  305    HB2  ARG  38           HB2      ARG  38  -5.385   4.873  -4.815
  306    HB3  ARG  38           HB1      ARG  38  -6.775   5.228  -3.806
  307    HG2  ARG  38           HG2      ARG  38  -7.439   7.000  -5.355
  308    HG3  ARG  38           HG1      ARG  38  -6.046   6.625  -6.371
  309    HD2  ARG  38           HD2      ARG  38  -8.381   4.838  -5.739
  310    HD3  ARG  38           HD1      ARG  38  -7.971   5.535  -7.298
  311    HE   ARG  38           HE       ARG  38  -6.681   3.321  -5.942
  312   HH11  ARG  38          HH11      ARG  38  -6.852   5.398  -8.793
  313   HH12  ARG  38          HH12      ARG  38  -5.831   4.444  -9.760
  314   HH21  ARG  38          HH21      ARG  38  -5.257   1.928  -7.310
  315   HH22  ARG  38          HH22      ARG  38  -4.893   2.449  -8.866
  316    H    GLU  39           H        GLU  39  -6.565   6.577  -1.542
  317    HA   GLU  39           HA       GLU  39  -8.438   8.631  -1.923
  318    HB2  GLU  39           HB2      GLU  39  -7.312   7.686   0.717
  319    HB3  GLU  39           HB1      GLU  39  -8.806   8.572   0.501
  320    HG2  GLU  39           HG2      GLU  39  -8.220   5.757  -0.373
  321    HG3  GLU  39           HG1      GLU  39  -9.263   6.265   0.950
  322    H    ARG  40           H        ARG  40  -5.301   8.663  -0.358
  323    HA   ARG  40           HA       ARG  40  -5.487  11.373   0.495
  324    HB2  ARG  40           HB2      ARG  40  -4.130   9.747   1.680
  325    HB3  ARG  40           HB1      ARG  40  -3.113   9.531   0.273
  326    HG2  ARG  40           HG2      ARG  40  -2.317  11.832   0.495
  327    HG3  ARG  40           HG1      ARG  40  -3.378  12.069   1.886
  328    HD2  ARG  40           HD2      ARG  40  -1.120  10.082   1.679
  329    HD3  ARG  40           HD1      ARG  40  -1.107  11.581   2.609
  330    HE   ARG  40           HE       ARG  40  -3.060  10.553   3.823
  331   HH11  ARG  40          HH11      ARG  40  -0.428   8.602   2.479
  332   HH12  ARG  40          HH12      ARG  40  -0.573   7.350   3.618
  333   HH21  ARG  40          HH21      ARG  40  -3.267   8.825   5.403
  334   HH22  ARG  40          HH22      ARG  40  -2.237   7.475   5.339
  335    H    GLU  41           H        GLU  41  -4.456   9.829  -2.401
  336    HA   GLU  41           HA       GLU  41  -3.143  12.195  -3.424
  337    HB2  GLU  41           HB2      GLU  41  -4.000   9.675  -4.858
  338    HB3  GLU  41           HB1      GLU  41  -2.951  10.920  -5.518
  339    HG2  GLU  41           HG2      GLU  41  -2.338   9.150  -3.162
  340    HG3  GLU  41           HG1      GLU  41  -1.704   8.953  -4.789
  341    H    GLY  42           H        GLY  42  -6.188  10.461  -3.901
  342    HA2  GLY  42           HA2      GLY  42  -7.229  12.018  -5.995
  343    HA3  GLY  42           HA1      GLY  42  -8.134  10.947  -4.942
  344    H    ARG  43           H        ARG  43  -7.282  12.482  -2.554
  345    HA   ARG  43           HA       ARG  43  -9.374  14.396  -2.552
  346    HB2  ARG  43           HB2      ARG  43  -8.600  15.032  -0.299
  347    HB3  ARG  43           HB1      ARG  43  -8.733  13.290  -0.474
  348    HG2  ARG  43           HG2      ARG  43  -6.299  13.165  -0.807
  349    HG3  ARG  43           HG1      ARG  43  -6.199  14.907  -0.564
  350    HD2  ARG  43           HD2      ARG  43  -7.273  12.939   1.454
  351    HD3  ARG  43           HD1      ARG  43  -5.635  13.590   1.465
  352    HE   ARG  43           HE       ARG  43  -7.510  15.685   1.431
  353   HH11  ARG  43          HH11      ARG  43  -6.258  13.217   3.638
  354   HH12  ARG  43          HH12      ARG  43  -6.538  14.155   5.037
  355   HH21  ARG  43          HH21      ARG  43  -7.882  16.942   3.373
  356   HH22  ARG  43          HH22      ARG  43  -7.429  16.290   4.885
  357    H    ARG  44           H        ARG  44  -6.217  14.574  -3.748
  358    HA   ARG  44           HA       ARG  44  -6.214  17.501  -3.606
  359    HB2  ARG  44           HB2      ARG  44  -3.993  15.685  -4.549
  360    HB3  ARG  44           HB1      ARG  44  -3.884  17.407  -4.230
  361    HG2  ARG  44           HG2      ARG  44  -4.326  16.939  -1.836
  362    HG3  ARG  44           HG1      ARG  44  -4.282  15.214  -2.207
  363    HD2  ARG  44           HD2      ARG  44  -2.052  17.224  -2.395
  364    HD3  ARG  44           HD1      ARG  44  -2.119  15.756  -1.421
  365    HE   ARG  44           HE       ARG  44  -1.684  15.945  -4.302
  366   HH11  ARG  44          HH11      ARG  44  -1.742  13.866  -1.414
  367   HH12  ARG  44          HH12      ARG  44  -1.014  12.549  -2.224
  368   HH21  ARG  44          HH21      ARG  44  -0.677  14.200  -5.323
  369   HH22  ARG  44          HH22      ARG  44  -0.381  12.727  -4.492
  370    H    GLU  45           H        GLU  45  -7.626  15.340  -5.379
  371    HA   GLU  45           HA       GLU  45  -7.033  16.630  -7.936
  372    HB2  GLU  45           HB2      GLU  45  -7.973  13.820  -7.350
  373    HB3  GLU  45           HB1      GLU  45  -7.992  14.533  -8.950
  374    HG2  GLU  45           HG2      GLU  45  -5.540  14.787  -8.838
  375    HG3  GLU  45           HG1      GLU  45  -5.556  14.012  -7.253
  376    H    VAL  46           H        VAL  46  -8.731  17.479  -9.003
  377    HA   VAL  46           HA       VAL  46 -10.719  18.396  -9.414
  378    HB   VAL  46           HB       VAL  46 -11.932  16.105  -7.820
  379   HG11  VAL  46          HG11      VAL  46 -13.222  17.974  -9.809
  380   HG12  VAL  46          HG12      VAL  46 -13.494  17.955  -8.067
  381   HG13  VAL  46          3HG1      VAL  46 -14.002  16.583  -9.053
  382   HG21  VAL  46          HG21      VAL  46 -10.616  15.285  -9.707
  383   HG22  VAL  46          HG22      VAL  46 -11.481  16.366 -10.798
  384   HG23  VAL  46          HG23      VAL  46 -12.338  15.044 -10.004
  385    H    ASP  47           H        ASP  47 -10.541  20.289  -8.445
  386    HA   ASP  47           HA       ASP  47 -11.519  20.480  -5.682
  387    HB2  ASP  47           HB2      ASP  47  -9.501  22.312  -7.006
  388    HB3  ASP  47           HB1      ASP  47 -10.130  22.475  -5.379
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1  11.285  16.827   4.924
    2    H3   PRO   1           HT2      PRO   1  11.177  18.209   4.075
    3    HA   PRO   1           HA       PRO   1  11.935  17.250   2.405
    4    HB2  PRO   1           HB2      PRO   1  14.344  16.024   3.493
    5    HB3  PRO   1           HB1      PRO   1  14.194  17.284   2.260
    6    HG2  PRO   1           HG2      PRO   1  15.099  17.789   4.783
    7    HG3  PRO   1           HG1      PRO   1  14.260  18.987   3.785
    8    HD2  PRO   1           HD2      PRO   1  13.212  17.356   6.072
    9    HD3  PRO   1           HD1      PRO   1  12.829  19.024   5.611
   10    H    ARG   2           H        ARG   2  12.441  15.030   1.508
   11    HA   ARG   2           HA       ARG   2  11.965  12.859   1.281
   12    HB2  ARG   2           HB2      ARG   2  13.487  12.482   3.218
   13    HB3  ARG   2           HB1      ARG   2  12.118  12.681   4.301
   14    HG2  ARG   2           HG2      ARG   2  11.044  10.731   3.207
   15    HG3  ARG   2           HG1      ARG   2  12.528  10.485   2.285
   16    HD2  ARG   2           HD2      ARG   2  12.568   9.026   4.178
   17    HD3  ARG   2           HD1      ARG   2  13.751  10.304   4.439
   18    HE   ARG   2           HE       ARG   2  11.408  11.163   5.597
   19   HH11  ARG   2          HH11      ARG   2  13.668   8.481   6.087
   20   HH12  ARG   2          HH12      ARG   2  13.301   8.286   7.736
   21   HH21  ARG   2          HH21      ARG   2  10.914  10.882   7.905
   22   HH22  ARG   2          HH22      ARG   2  11.736   9.676   8.781
   23    H    GLY   3           H        GLY   3  10.002  12.701   0.478
   24    HA2  GLY   3           HA2      GLY   3   7.817  12.188   2.291
   25    HA3  GLY   3           HA1      GLY   3   7.647  13.624   1.290
   26    H    SER   4           H        SER   4   8.553  10.203   0.942
   27    HA   SER   4           HA       SER   4   7.032  10.245  -1.544
   28    HB2  SER   4           HB2      SER   4   9.224   8.348  -0.675
   29    HB3  SER   4           HB1      SER   4   8.417   8.357  -2.244
   30    HG   SER   4           HG       SER   4   9.174  10.717  -2.163
   31    HA   PRO   5           HA       PRO   5   4.188   8.013   1.258
   32    HB2  PRO   5           HB2      PRO   5   2.238   7.692  -0.684
   33    HB3  PRO   5           HB1      PRO   5   2.375   9.090   0.382
   34    HG2  PRO   5           HG2      PRO   5   3.311   8.753  -2.435
   35    HG3  PRO   5           HG1      PRO   5   2.557  10.161  -1.667
   36    HD2  PRO   5           HD2      PRO   5   5.171  10.075  -2.127
   37    HD3  PRO   5           HD1      PRO   5   4.537  10.819  -0.645
   38    H    ARG   6           H        ARG   6   5.428   7.025  -1.813
   39    HA   ARG   6           HA       ARG   6   4.434   4.438  -1.999
   40    HB2  ARG   6           HB2      ARG   6   5.608   5.405  -3.860
   41    HB3  ARG   6           HB1      ARG   6   7.097   5.505  -2.928
   42    HG2  ARG   6           HG2      ARG   6   7.199   3.072  -2.828
   43    HG3  ARG   6           HG1      ARG   6   5.695   2.968  -3.737
   44    HD2  ARG   6           HD2      ARG   6   6.719   3.997  -5.629
   45    HD3  ARG   6           HD1      ARG   6   8.226   4.253  -4.738
   46    HE   ARG   6           HE       ARG   6   7.988   1.647  -4.517
   47   HH11  ARG   6          HH11      ARG   6   7.429   3.621  -7.404
   48   HH12  ARG   6          HH12      ARG   6   7.899   2.399  -8.485
   49   HH21  ARG   6          HH21      ARG   6   8.620   0.029  -5.937
   50   HH22  ARG   6          HH22      ARG   6   8.616   0.272  -7.635
   51    H    THR   7           H        THR   7   7.039   5.667   0.027
   52    HA   THR   7           HA       THR   7   8.269   3.197   0.526
   53    HB   THR   7           HB       THR   7   9.092   4.302   2.657
   54    HG1  THR   7           HG1      THR   7   8.101   6.743   1.664
   55   HG21  THR   7          HG21      THR   7  10.369   4.391   0.567
   56   HG22  THR   7          HG22      THR   7  10.529   5.895   1.468
   57   HG23  THR   7          HG23      THR   7   9.459   5.818   0.066
   58    H    GLU   8           H        GLU   8   5.678   4.849   2.207
   59    HA   GLU   8           HA       GLU   8   5.229   3.002   4.302
   60    HB2  GLU   8           HB2      GLU   8   4.402   5.369   4.148
   61    HB3  GLU   8           HB1      GLU   8   3.260   4.839   2.925
   62    HG2  GLU   8           HG2      GLU   8   2.134   5.019   5.024
   63    HG3  GLU   8           HG1      GLU   8   2.263   3.310   4.600
   64    H    TYR   9           H        TYR   9   3.797   3.493   1.123
   65    HA   TYR   9           HA       TYR   9   1.807   1.576   1.182
   66    HB2  TYR   9           HB2      TYR   9   1.569   3.310  -0.278
   67    HB3  TYR   9           HB1      TYR   9   3.244   3.261  -0.774
   68    HD1  TYR   9           HD1      TYR   9   3.839   2.271  -2.668
   69    HD2  TYR   9           HD2      TYR   9   0.033   1.484  -1.096
   70    HE1  TYR   9           HE1      TYR   9   3.226   1.171  -4.800
   71    HE2  TYR   9           HE2      TYR   9  -0.650   0.394  -3.176
   72    HH   TYR   9           HH       TYR   9  -0.068   0.310  -5.468
   73    H    GLU  10           H        GLU  10   5.045   1.512  -0.270
   74    HA   GLU  10           HA       GLU  10   4.879  -1.090  -1.265
   75    HB2  GLU  10           HB2      GLU  10   6.501   0.714  -1.939
   76    HB3  GLU  10           HB1      GLU  10   7.367   0.402  -0.447
   77    HG2  GLU  10           HG2      GLU  10   7.914  -1.816  -1.155
   78    HG3  GLU  10           HG1      GLU  10   6.898  -1.655  -2.591
   79    H    ALA  11           H        ALA  11   6.048   0.208   1.830
   80    HA   ALA  11           HA       ALA  11   7.037  -2.240   2.837
   81    HB1  ALA  11           HB1      ALA  11   7.618  -0.085   3.853
   82    HB2  ALA  11           HB2      ALA  11   6.910  -1.172   5.048
   83    HB3  ALA  11           HB3      ALA  11   5.944   0.131   4.355
   84    H    CYS  12           H        CYS  12   3.874  -0.821   2.727
   85    HA   CYS  12           HA       CYS  12   2.529  -2.585   4.486
   86    HB2  CYS  12           HB2      CYS  12   1.624  -0.388   3.694
   87    HB3  CYS  12           HB1      CYS  12   1.473  -1.053   2.080
   88    H    ARG  13           H        ARG  13   3.072  -2.560   0.986
   89    HA   ARG  13           HA       ARG  13   1.713  -4.970   0.400
   90    HB2  ARG  13           HB2      ARG  13   3.890  -3.516  -1.110
   91    HB3  ARG  13           HB1      ARG  13   3.021  -4.906  -1.736
   92    HG2  ARG  13           HG2      ARG  13   0.934  -3.660  -1.661
   93    HG3  ARG  13           HG1      ARG  13   1.777  -2.271  -0.973
   94    HD2  ARG  13           HD2      ARG  13   1.403  -1.993  -3.382
   95    HD3  ARG  13           HD1      ARG  13   3.117  -2.057  -2.996
   96    HE   ARG  13           HE       ARG  13   2.781  -4.554  -3.634
   97   HH11  ARG  13          HH11      ARG  13   1.223  -1.803  -5.292
   98   HH12  ARG  13          HH12      ARG  13   1.198  -2.578  -6.798
   99   HH21  ARG  13          HH21      ARG  13   2.778  -5.557  -5.717
  100   HH22  ARG  13          HH22      ARG  13   2.141  -4.747  -7.066
  101    H    VAL  14           H        VAL  14   5.146  -4.240   0.907
  102    HA   VAL  14           HA       VAL  14   6.113  -6.836   0.557
  103    HB   VAL  14           HB       VAL  14   7.310  -4.565   2.193
  104   HG11  VAL  14          HG11      VAL  14   8.250  -6.681   2.953
  105   HG12  VAL  14          HG12      VAL  14   9.452  -5.792   2.010
  106   HG13  VAL  14          3HG1      VAL  14   8.584  -7.145   1.289
  107   HG21  VAL  14          HG21      VAL  14   7.926  -5.566  -0.588
  108   HG22  VAL  14          HG22      VAL  14   8.775  -4.267   0.251
  109   HG23  VAL  14          HG23      VAL  14   7.076  -4.072  -0.187
  110    H    ARG  15           H        ARG  15   4.882  -5.236   3.454
  111    HA   ARG  15           HA       ARG  15   5.533  -7.170   5.351
  112    HB2  ARG  15           HB2      ARG  15   4.527  -4.967   5.904
  113    HB3  ARG  15           HB1      ARG  15   2.998  -5.512   5.231
  114    HG2  ARG  15           HG2      ARG  15   2.866  -7.257   6.944
  115    HG3  ARG  15           HG1      ARG  15   4.397  -6.704   7.619
  116    HD2  ARG  15           HD2      ARG  15   3.362  -4.487   8.027
  117    HD3  ARG  15           HD1      ARG  15   1.824  -5.140   7.461
  118    HE   ARG  15           HE       ARG  15   2.609  -6.867   9.397
  119   HH11  ARG  15          HH11      ARG  15   2.027  -3.370   9.331
  120   HH12  ARG  15          HH12      ARG  15   1.683  -3.253  10.988
  121   HH21  ARG  15          HH21      ARG  15   2.127  -6.702  11.696
  122   HH22  ARG  15          HH22      ARG  15   1.781  -5.188  12.373
  123    H    CYS  16           H        CYS  16   2.646  -6.902   3.325
  124    HA   CYS  16           HA       CYS  16   1.596  -9.372   4.205
  125    HB2  CYS  16           HB2      CYS  16   0.950  -7.645   1.841
  126    HB3  CYS  16           HB1      CYS  16   0.073  -9.123   2.231
  127    H    GLN  17           H        GLN  17   3.791  -8.492   1.698
  128    HA   GLN  17           HA       GLN  17   3.578 -10.780   0.097
  129    HB2  GLN  17           HB2      GLN  17   4.655  -8.637  -0.540
  130    HB3  GLN  17           HB1      GLN  17   5.956  -8.991   0.580
  131    HG2  GLN  17           HG2      GLN  17   6.579 -10.926  -0.746
  132    HG3  GLN  17           HG1      GLN  17   5.259 -10.589  -1.869
  133   HE21  GLN  17          1HE2      GLN  17   6.601 -10.264  -3.604
  134   HE22  GLN  17          2HE2      GLN  17   7.644  -8.900  -3.748
  135    H    VAL  18           H        VAL  18   5.553 -10.014   2.916
  136    HA   VAL  18           HA       VAL  18   6.699 -12.670   2.805
  137    HB   VAL  18           HB       VAL  18   8.253 -10.842   3.214
  138   HG11  VAL  18          HG11      VAL  18   6.756 -10.337   5.771
  139   HG12  VAL  18          HG12      VAL  18   6.826  -9.278   4.366
  140   HG13  VAL  18          3HG1      VAL  18   8.282  -9.582   5.309
  141   HG21  VAL  18          HG21      VAL  18   8.839 -13.016   4.113
  142   HG22  VAL  18          HG22      VAL  18   7.976 -12.657   5.608
  143   HG23  VAL  18          HG23      VAL  18   9.423 -11.744   5.185
  144    H    ALA  19           H        ALA  19   4.623 -10.816   5.052
  145    HA   ALA  19           HA       ALA  19   4.597 -13.012   6.910
  146    HB1  ALA  19           HB1      ALA  19   3.226 -11.607   8.317
  147    HB2  ALA  19           HB2      ALA  19   2.996 -10.465   6.994
  148    HB3  ALA  19           HB3      ALA  19   4.597 -10.684   7.698
  149    H    GLU  20           H        GLU  20   2.241 -11.599   4.662
  150    HA   GLU  20           HA       GLU  20   0.199 -13.450   5.507
  151    HB2  GLU  20           HB2      GLU  20   0.308 -11.664   3.067
  152    HB3  GLU  20           HB1      GLU  20  -1.084 -12.612   3.557
  153    HG2  GLU  20           HG2      GLU  20   0.164 -10.420   5.184
  154    HG3  GLU  20           HG1      GLU  20  -1.241 -10.216   4.138
  155    H    HIS  21           H        HIS  21   2.004 -12.970   2.502
  156    HA   HIS  21           HA       HIS  21   2.861 -14.322   0.948
  157    HB2  HIS  21           HB2      HIS  21   3.931 -15.624   2.705
  158    HB3  HIS  21           HB1      HIS  21   2.446 -16.514   2.998
  159    HD1  HIS  21           HD1      HIS  21   5.371 -16.361   0.583
  160    HD2  HIS  21           HD2      HIS  21   1.981 -18.649   1.313
  161    HE1  HIS  21           HE1      HIS  21   5.607 -18.433  -0.814
  162    H    GLY  22           H        GLY  22  -0.088 -15.642   2.299
  163    HA2  GLY  22           HA2      GLY  22  -0.978 -17.146   0.126
  164    HA3  GLY  22           HA1      GLY  22  -2.020 -16.377   1.317
  165    H    VAL  23           H        VAL  23  -2.211 -16.737  -1.644
  166    HA   VAL  23           HA       VAL  23  -1.737 -14.240  -2.903
  167    HB   VAL  23           HB       VAL  23  -3.520 -16.492  -3.882
  168   HG11  VAL  23          HG11      VAL  23  -3.802 -14.414  -5.124
  169   HG12  VAL  23          HG12      VAL  23  -3.030 -15.651  -6.113
  170   HG13  VAL  23          3HG1      VAL  23  -2.066 -14.349  -5.419
  171   HG21  VAL  23          HG21      VAL  23  -0.557 -16.100  -4.304
  172   HG22  VAL  23          HG22      VAL  23  -1.548 -17.329  -5.088
  173   HG23  VAL  23          HG23      VAL  23  -1.313 -17.369  -3.340
  174    H    GLU  24           H        GLU  24  -4.544 -15.666  -1.332
  175    HA   GLU  24           HA       GLU  24  -6.371 -13.635  -2.221
  176    HB2  GLU  24           HB2      GLU  24  -6.598 -15.410   0.229
  177    HB3  GLU  24           HB1      GLU  24  -7.881 -14.444  -0.466
  178    HG2  GLU  24           HG2      GLU  24  -6.529 -16.781  -1.772
  179    HG3  GLU  24           HG1      GLU  24  -8.132 -16.764  -1.046
  180    H    ARG  25           H        ARG  25  -4.403 -14.181   0.588
  181    HA   ARG  25           HA       ARG  25  -5.253 -11.978   2.134
  182    HB2  ARG  25           HB2      ARG  25  -2.552 -13.338   2.126
  183    HB3  ARG  25           HB1      ARG  25  -3.178 -12.296   3.397
  184    HG2  ARG  25           HG2      ARG  25  -4.356 -14.949   2.580
  185    HG3  ARG  25           HG1      ARG  25  -3.305 -14.684   3.968
  186    HD2  ARG  25           HD2      ARG  25  -6.013 -13.405   3.548
  187    HD3  ARG  25           HD1      ARG  25  -5.685 -14.788   4.585
  188    HE   ARG  25           HE       ARG  25  -4.053 -12.534   5.256
  189   HH11  ARG  25          HH11      ARG  25  -7.312 -13.842   5.691
  190   HH12  ARG  25          HH12      ARG  25  -7.545 -13.081   7.188
  191   HH21  ARG  25          HH21      ARG  25  -4.355 -11.535   7.229
  192   HH22  ARG  25          HH22      ARG  25  -5.818 -11.702   8.098
  193    H    GLN  26           H        GLN  26  -2.564 -12.372  -0.142
  194    HA   GLN  26           HA       GLN  26  -1.615  -9.725   0.071
  195    HB2  GLN  26           HB2      GLN  26  -0.216 -11.512  -0.834
  196    HB3  GLN  26           HB1      GLN  26  -1.313 -11.709  -2.193
  197    HG2  GLN  26           HG2      GLN  26   0.651 -10.488  -2.892
  198    HG3  GLN  26           HG1      GLN  26  -0.763  -9.442  -2.953
  199   HE21  GLN  26          1HE2      GLN  26   2.240 -10.067  -1.428
  200   HE22  GLN  26          2HE2      GLN  26   2.352  -8.578  -0.552
  201    H    ARG  27           H        ARG  27  -4.118 -11.196  -1.903
  202    HA   ARG  27           HA       ARG  27  -4.442  -9.057  -3.708
  203    HB2  ARG  27           HB2      ARG  27  -5.412 -11.350  -3.970
  204    HB3  ARG  27           HB1      ARG  27  -6.596 -10.951  -2.735
  205    HG2  ARG  27           HG2      ARG  27  -7.586 -10.732  -4.932
  206    HG3  ARG  27           HG1      ARG  27  -7.446  -9.143  -4.179
  207    HD2  ARG  27           HD2      ARG  27  -6.789  -9.080  -6.543
  208    HD3  ARG  27           HD1      ARG  27  -5.435  -8.679  -5.495
  209    HE   ARG  27           HE       ARG  27  -5.776 -11.405  -6.540
  210   HH11  ARG  27          HH11      ARG  27  -3.786  -8.466  -6.316
  211   HH12  ARG  27          HH12      ARG  27  -2.435  -9.167  -7.071
  212   HH21  ARG  27          HH21      ARG  27  -3.907 -12.332  -7.606
  213   HH22  ARG  27          HH22      ARG  27  -2.495 -11.424  -7.808
  214    H    ARG  28           H        ARG  28  -5.748  -9.722  -0.522
  215    HA   ARG  28           HA       ARG  28  -7.480  -7.481  -0.370
  216    HB2  ARG  28           HB2      ARG  28  -7.663  -9.382   1.198
  217    HB3  ARG  28           HB1      ARG  28  -6.078  -8.998   1.847
  218    HG2  ARG  28           HG2      ARG  28  -6.928  -6.862   2.683
  219    HG3  ARG  28           HG1      ARG  28  -8.519  -7.235   2.022
  220    HD2  ARG  28           HD2      ARG  28  -8.676  -9.181   3.452
  221    HD3  ARG  28           HD1      ARG  28  -7.069  -8.860   4.109
  222    HE   ARG  28           HE       ARG  28  -8.690  -6.606   4.458
  223   HH11  ARG  28          HH11      ARG  28  -8.424  -9.900   5.694
  224   HH12  ARG  28          HH12      ARG  28  -9.099  -9.555   7.219
  225   HH21  ARG  28          HH21      ARG  28  -9.640  -6.118   6.569
  226   HH22  ARG  28          HH22      ARG  28  -9.777  -7.370   7.718
  227    H    CYS  29           H        CYS  29  -4.155  -8.062   0.726
  228    HA   CYS  29           HA       CYS  29  -3.702  -5.548   1.779
  229    HB2  CYS  29           HB2      CYS  29  -1.807  -7.562   0.631
  230    HB3  CYS  29           HB1      CYS  29  -1.297  -6.097   1.462
  231    H    GLN  30           H        GLN  30  -3.065  -6.712  -1.530
  232    HA   GLN  30           HA       GLN  30  -1.866  -4.438  -2.565
  233    HB2  GLN  30           HB2      GLN  30  -2.174  -6.540  -3.831
  234    HB3  GLN  30           HB1      GLN  30  -3.896  -6.215  -3.931
  235    HG2  GLN  30           HG2      GLN  30  -3.380  -4.127  -5.173
  236    HG3  GLN  30           HG1      GLN  30  -1.685  -4.608  -5.183
  237   HE21  GLN  30          1HE2      GLN  30  -4.852  -5.273  -6.383
  238   HE22  GLN  30          2HE2      GLN  30  -4.377  -6.315  -7.668
  239    H    GLN  31           H        GLN  31  -5.277  -5.228  -2.275
  240    HA   GLN  31           HA       GLN  31  -6.394  -2.938  -3.437
  241    HB2  GLN  31           HB2      GLN  31  -7.592  -5.043  -3.005
  242    HB3  GLN  31           HB1      GLN  31  -7.477  -4.753  -1.279
  243    HG2  GLN  31           HG2      GLN  31  -8.815  -2.683  -1.611
  244    HG3  GLN  31           HG1      GLN  31  -9.025  -3.157  -3.295
  245   HE21  GLN  31          1HE2      GLN  31  -9.200  -6.038  -2.563
  246   HE22  GLN  31          2HE2      GLN  31 -10.763  -6.235  -1.889
  247    H    VAL  32           H        VAL  32  -5.858  -3.771  -0.032
  248    HA   VAL  32           HA       VAL  32  -6.845  -1.327   0.989
  249    HB   VAL  32           HB       VAL  32  -5.163  -3.443   2.362
  250   HG11  VAL  32          HG11      VAL  32  -4.996  -1.299   3.552
  251   HG12  VAL  32          HG12      VAL  32  -5.945  -2.464   4.475
  252   HG13  VAL  32          3HG1      VAL  32  -6.755  -1.177   3.583
  253   HG21  VAL  32          HG21      VAL  32  -8.134  -2.927   2.367
  254   HG22  VAL  32          HG22      VAL  32  -7.305  -4.169   3.305
  255   HG23  VAL  32          HG23      VAL  32  -7.310  -4.250   1.546
  256    H    CYS  33           H        CYS  33  -3.511  -2.457   0.436
  257    HA   CYS  33           HA       CYS  33  -2.377  -0.139   1.593
  258    HB2  CYS  33           HB2      CYS  33  -1.117  -2.050  -0.398
  259    HB3  CYS  33           HB1      CYS  33  -0.252  -0.883   0.591
  260    H    GLU  34           H        GLU  34  -3.506  -0.926  -1.651
  261    HA   GLU  34           HA       GLU  34  -2.397   1.340  -2.982
  262    HB2  GLU  34           HB2      GLU  34  -3.476  -0.806  -3.980
  263    HB3  GLU  34           HB1      GLU  34  -5.003  -0.000  -3.683
  264    HG2  GLU  34           HG2      GLU  34  -4.368   0.308  -5.967
  265    HG3  GLU  34           HG1      GLU  34  -4.265   1.857  -5.128
  266    H    LYS  35           H        LYS  35  -5.434   0.635  -1.373
  267    HA   LYS  35           HA       LYS  35  -6.749   3.072  -1.734
  268    HB2  LYS  35           HB2      LYS  35  -7.927   1.168  -0.884
  269    HB3  LYS  35           HB1      LYS  35  -6.864   1.060   0.508
  270    HG2  LYS  35           HG2      LYS  35  -7.741   3.206   1.331
  271    HG3  LYS  35           HG1      LYS  35  -8.831   3.267  -0.052
  272    HD2  LYS  35           HD2      LYS  35  -8.798   1.041   1.981
  273    HD3  LYS  35           HD1      LYS  35  -9.878   2.434   2.050
  274    HE2  LYS  35           HE2      LYS  35  -9.734   0.482  -0.247
  275    HE3  LYS  35           HE1      LYS  35 -10.906   0.420   1.060
  276    HZ1  LYS  35           HZ1      LYS  35 -11.746   2.586   0.381
  277    HZ2  LYS  35           HZ2      LYS  35 -11.808   1.507  -0.889
  278    HZ3  LYS  35           HZ3      LYS  35 -10.612   2.682  -0.867
  279    H    ARG  36           H        ARG  36  -4.654   1.941   0.867
  280    HA   ARG  36           HA       ARG  36  -4.630   4.232   2.442
  281    HB2  ARG  36           HB2      ARG  36  -2.502   2.155   2.011
  282    HB3  ARG  36           HB1      ARG  36  -2.350   3.453   3.182
  283    HG2  ARG  36           HG2      ARG  36  -4.363   2.631   4.325
  284    HG3  ARG  36           HG1      ARG  36  -4.457   1.304   3.162
  285    HD2  ARG  36           HD2      ARG  36  -3.379   0.662   5.283
  286    HD3  ARG  36           HD1      ARG  36  -2.316   0.456   3.886
  287    HE   ARG  36           HE       ARG  36  -1.780   2.966   4.839
  288   HH11  ARG  36          HH11      ARG  36  -1.621  -0.263   6.251
  289   HH12  ARG  36          HH12      ARG  36  -0.369   0.136   7.334
  290   HH21  ARG  36          HH21      ARG  36  -0.104   3.499   6.261
  291   HH22  ARG  36          HH22      ARG  36   0.536   2.327   7.337
  292    H    LEU  37           H        LEU  37  -2.549   3.319  -0.255
  293    HA   LEU  37           HA       LEU  37  -0.899   5.577  -0.200
  294    HB2  LEU  37           HB2      LEU  37  -0.316   3.603  -1.473
  295    HB3  LEU  37           HB1      LEU  37  -1.715   3.815  -2.502
  296    HG   LEU  37           HG       LEU  37  -0.763   5.886  -3.359
  297   HD11  LEU  37          HD11      LEU  37   1.607   6.419  -2.946
  298   HD12  LEU  37          HD12      LEU  37   1.673   5.132  -1.742
  299   HD13  LEU  37          HD13      LEU  37   0.634   6.535  -1.483
  300   HD21  LEU  37          HD21      LEU  37  -0.425   3.847  -4.562
  301   HD22  LEU  37          HD22      LEU  37   1.025   3.499  -3.619
  302   HD23  LEU  37          HD23      LEU  37   0.994   4.884  -4.712
  303    H    ARG  38           H        ARG  38  -3.836   4.910  -2.049
  304    HA   ARG  38           HA       ARG  38  -3.799   7.406  -3.353
  305    HB2  ARG  38           HB2      ARG  38  -6.031   5.428  -3.015
  306    HB3  ARG  38           HB1      ARG  38  -6.153   6.881  -4.001
  307    HG2  ARG  38           HG2      ARG  38  -4.227   4.597  -4.406
  308    HG3  ARG  38           HG1      ARG  38  -5.639   4.978  -5.395
  309    HD2  ARG  38           HD2      ARG  38  -3.159   6.694  -5.072
  310    HD3  ARG  38           HD1      ARG  38  -3.623   5.766  -6.487
  311    HE   ARG  38           HE       ARG  38  -5.746   7.282  -6.233
  312   HH11  ARG  38          HH11      ARG  38  -2.333   8.335  -5.883
  313   HH12  ARG  38          HH12      ARG  38  -2.604   9.822  -6.641
  314   HH21  ARG  38          HH21      ARG  38  -6.071   9.372  -7.225
  315   HH22  ARG  38          HH22      ARG  38  -4.754  10.426  -7.410
  316    H    GLU  39           H        GLU  39  -5.249   6.461  -0.334
  317    HA   GLU  39           HA       GLU  39  -6.475   9.043  -0.077
  318    HB2  GLU  39           HB2      GLU  39  -6.054   6.753   1.758
  319    HB3  GLU  39           HB1      GLU  39  -6.747   8.265   2.343
  320    HG2  GLU  39           HG2      GLU  39  -7.895   6.627   0.088
  321    HG3  GLU  39           HG1      GLU  39  -8.434   6.520   1.761
  322    H    ARG  40           H        ARG  40  -3.440   7.579   0.852
  323    HA   ARG  40           HA       ARG  40  -2.549   9.639   2.550
  324    HB2  ARG  40           HB2      ARG  40  -1.427   7.438   2.346
  325    HB3  ARG  40           HB1      ARG  40  -0.949   7.842   0.709
  326    HG2  ARG  40           HG2      ARG  40   0.912   8.092   2.233
  327    HG3  ARG  40           HG1      ARG  40   0.444   9.657   1.564
  328    HD2  ARG  40           HD2      ARG  40  -0.713  10.232   3.590
  329    HD3  ARG  40           HD1      ARG  40  -0.431   8.623   4.257
  330    HE   ARG  40           HE       ARG  40   1.993   9.838   3.535
  331   HH11  ARG  40          HH11      ARG  40  -0.497  10.091   6.026
  332   HH12  ARG  40          HH12      ARG  40   0.575  10.623   7.248
  333   HH21  ARG  40          HH21      ARG  40   3.450  10.577   5.186
  334   HH22  ARG  40          HH22      ARG  40   2.881  10.938   6.742
  335    H    GLU  41           H        GLU  41  -2.291   9.105  -0.909
  336    HA   GLU  41           HA       GLU  41  -0.971  11.574  -1.443
  337    HB2  GLU  41           HB2      GLU  41  -2.508   9.790  -3.330
  338    HB3  GLU  41           HB1      GLU  41  -1.438  11.093  -3.798
  339    HG2  GLU  41           HG2      GLU  41   0.438   9.835  -2.757
  340    HG3  GLU  41           HG1      GLU  41  -0.683   8.503  -2.466
  341    H    GLY  42           H        GLY  42  -4.314  10.409  -2.063
  342    HA2  GLY  42           HA2      GLY  42  -4.995  12.974  -3.179
  343    HA3  GLY  42           HA1      GLY  42  -6.001  11.546  -3.133
  344    H    ARG  43           H        ARG  43  -5.503  11.496  -0.082
  345    HA   ARG  43           HA       ARG  43  -7.715  13.311   0.398
  346    HB2  ARG  43           HB2      ARG  43  -7.678  10.950   1.296
  347    HB3  ARG  43           HB1      ARG  43  -6.378  11.444   2.359
  348    HG2  ARG  43           HG2      ARG  43  -8.470  11.395   3.552
  349    HG3  ARG  43           HG1      ARG  43  -7.895  13.062   3.419
  350    HD2  ARG  43           HD2      ARG  43 -10.330  12.775   2.969
  351    HD3  ARG  43           HD1      ARG  43  -9.432  13.519   1.643
  352    HE   ARG  43           HE       ARG  43  -9.620  10.683   1.415
  353   HH11  ARG  43          HH11      ARG  43 -11.559  13.592   0.946
  354   HH12  ARG  43          HH12      ARG  43 -12.400  13.006  -0.415
  355   HH21  ARG  43          HH21      ARG  43 -10.646   9.891  -0.441
  356   HH22  ARG  43          HH22      ARG  43 -11.849  10.787  -1.264
  357    H    ARG  44           H        ARG  44  -4.320  13.101   0.854
  358    HA   ARG  44           HA       ARG  44  -4.411  15.299   2.738
  359    HB2  ARG  44           HB2      ARG  44  -2.919  13.130   2.942
  360    HB3  ARG  44           HB1      ARG  44  -1.846  13.997   1.861
  361    HG2  ARG  44           HG2      ARG  44  -2.797  15.215   4.439
  362    HG3  ARG  44           HG1      ARG  44  -1.411  14.132   4.386
  363    HD2  ARG  44           HD2      ARG  44  -1.687  16.668   2.784
  364    HD3  ARG  44           HD1      ARG  44  -0.793  16.530   4.303
  365    HE   ARG  44           HE       ARG  44   0.414  14.672   3.023
  366   HH11  ARG  44          HH11      ARG  44  -0.547  17.832   1.735
  367   HH12  ARG  44          HH12      ARG  44   0.551  17.743   0.428
  368   HH21  ARG  44          HH21      ARG  44   1.935  14.629   1.243
  369   HH22  ARG  44          HH22      ARG  44   1.914  15.942   0.132
  370    H    GLU  45           H        GLU  45  -2.979  14.571  -0.537
  371    HA   GLU  45           HA       GLU  45  -3.628  17.301  -1.115
  372    HB2  GLU  45           HB2      GLU  45  -1.561  17.781  -2.418
  373    HB3  GLU  45           HB1      GLU  45  -1.236  17.552  -0.718
  374    HG2  GLU  45           HG2      GLU  45  -0.305  15.353  -1.173
  375    HG3  GLU  45           HG1      GLU  45  -0.711  15.523  -2.883
  376    H    VAL  46           H        VAL  46  -5.319  16.807  -2.193
  377    HA   VAL  46           HA       VAL  46  -5.471  14.767  -4.150
  378    HB   VAL  46           HB       VAL  46  -7.438  15.496  -2.852
  379   HG11  VAL  46          HG11      VAL  46  -8.641  17.546  -3.385
  380   HG12  VAL  46          HG12      VAL  46  -7.341  18.020  -4.475
  381   HG13  VAL  46          3HG1      VAL  46  -7.032  17.876  -2.747
  382   HG21  VAL  46          HG21      VAL  46  -7.769  15.830  -5.830
  383   HG22  VAL  46          HG22      VAL  46  -9.085  15.551  -4.691
  384   HG23  VAL  46          HG23      VAL  46  -7.847  14.318  -4.925
  385    H    ASP  47           H        ASP  47  -5.335  14.818  -6.293
  386    HA   ASP  47           HA       ASP  47  -4.231  17.135  -7.575
  387    HB2  ASP  47           HB2      ASP  47  -4.946  14.390  -8.644
  388    HB3  ASP  47           HB1      ASP  47  -4.397  15.696  -9.684
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1  15.953   5.825   1.525
    2    H3   PRO   1           HT2      PRO   1  15.091   4.462   1.632
    3    HA   PRO   1           HA       PRO   1  13.557   5.288   2.857
    4    HB2  PRO   1           HB2      PRO   1  14.829   7.557   4.065
    5    HB3  PRO   1           HB1      PRO   1  14.061   6.174   4.855
    6    HG2  PRO   1           HG2      PRO   1  16.891   6.655   4.339
    7    HG3  PRO   1           HG1      PRO   1  16.133   5.444   5.379
    8    HD2  PRO   1           HD2      PRO   1  17.430   4.829   3.037
    9    HD3  PRO   1           HD1      PRO   1  16.127   3.842   3.721
   10    H    ARG   2           H        ARG   2  12.229   6.315   1.556
   11    HA   ARG   2           HA       ARG   2  13.307   8.548  -0.001
   12    HB2  ARG   2           HB2      ARG   2  10.953   6.762  -0.514
   13    HB3  ARG   2           HB1      ARG   2  11.264   8.231  -1.413
   14    HG2  ARG   2           HG2      ARG   2  13.455   7.246  -2.092
   15    HG3  ARG   2           HG1      ARG   2  12.935   5.748  -1.311
   16    HD2  ARG   2           HD2      ARG   2  12.483   5.753  -3.740
   17    HD3  ARG   2           HD1      ARG   2  11.015   5.602  -2.773
   18    HE   ARG   2           HE       ARG   2  11.368   8.302  -3.231
   19   HH11  ARG   2          HH11      ARG   2  10.814   5.451  -5.304
   20   HH12  ARG   2          HH12      ARG   2  10.015   6.350  -6.501
   21   HH21  ARG   2          HH21      ARG   2  10.221   9.474  -4.859
   22   HH22  ARG   2          HH22      ARG   2   9.686   8.676  -6.265
   23    H    GLY   3           H        GLY   3  12.338  10.479   0.004
   24    HA2  GLY   3           HA2      GLY   3  10.247  10.988   1.942
   25    HA3  GLY   3           HA1      GLY   3  11.057  12.191   0.929
   26    H    SER   4           H        SER   4   9.097   9.293   0.508
   27    HA   SER   4           HA       SER   4   7.251  10.658  -1.249
   28    HB2  SER   4           HB2      SER   4   8.790   8.175  -2.095
   29    HB3  SER   4           HB1      SER   4   7.563   9.019  -3.037
   30    HG   SER   4           HG       SER   4   9.128  10.878  -2.632
   31    HA   PRO   5           HA       PRO   5   4.767   7.789   1.134
   32    HB2  PRO   5           HB2      PRO   5   2.486   7.851  -0.321
   33    HB3  PRO   5           HB1      PRO   5   2.983   9.186   0.729
   34    HG2  PRO   5           HG2      PRO   5   3.309   8.881  -2.232
   35    HG3  PRO   5           HG1      PRO   5   2.771  10.300  -1.318
   36    HD2  PRO   5           HD2      PRO   5   5.293  10.068  -2.237
   37    HD3  PRO   5           HD1      PRO   5   4.928  10.865  -0.696
   38    H    ARG   6           H        ARG   6   5.696   7.284  -2.070
   39    HA   ARG   6           HA       ARG   6   4.430   4.925  -2.851
   40    HB2  ARG   6           HB2      ARG   6   7.275   5.734  -3.434
   41    HB3  ARG   6           HB1      ARG   6   6.470   4.371  -4.184
   42    HG2  ARG   6           HG2      ARG   6   4.771   6.010  -5.063
   43    HG3  ARG   6           HG1      ARG   6   5.848   7.287  -4.479
   44    HD2  ARG   6           HD2      ARG   6   6.263   6.837  -6.845
   45    HD3  ARG   6           HD1      ARG   6   7.659   6.394  -5.864
   46    HE   ARG   6           HE       ARG   6   6.167   4.103  -6.071
   47   HH11  ARG   6          HH11      ARG   6   7.693   6.241  -8.435
   48   HH12  ARG   6          HH12      ARG   6   7.999   5.008  -9.561
   49   HH21  ARG   6          HH21      ARG   6   6.606   2.425  -7.590
   50   HH22  ARG   6          HH22      ARG   6   7.348   2.787  -9.088
   51    H    THR   7           H        THR   7   7.270   5.291  -0.722
   52    HA   THR   7           HA       THR   7   7.909   2.573  -0.715
   53    HB   THR   7           HB       THR   7   9.162   3.427   1.425
   54    HG1  THR   7           HG1      THR   7   8.823   5.494   1.807
   55   HG21  THR   7          HG21      THR   7  10.231   2.906  -0.719
   56   HG22  THR   7          HG22      THR   7  10.877   4.417  -0.064
   57   HG23  THR   7          HG23      THR   7   9.691   4.453  -1.366
   58    H    GLU   8           H        GLU   8   5.767   4.534   1.175
   59    HA   GLU   8           HA       GLU   8   5.318   2.734   3.320
   60    HB2  GLU   8           HB2      GLU   8   3.527   4.845   2.112
   61    HB3  GLU   8           HB1      GLU   8   3.226   4.035   3.641
   62    HG2  GLU   8           HG2      GLU   8   5.652   5.712   3.055
   63    HG3  GLU   8           HG1      GLU   8   4.203   6.299   3.868
   64    H    TYR   9           H        TYR   9   3.739   3.303   0.228
   65    HA   TYR   9           HA       TYR   9   1.713   1.364   0.502
   66    HB2  TYR   9           HB2      TYR   9   1.202   3.024  -0.999
   67    HB3  TYR   9           HB1      TYR   9   2.841   3.134  -1.605
   68    HD1  TYR   9           HD1      TYR   9   3.557   1.823  -3.363
   69    HD2  TYR   9           HD2      TYR   9  -0.376   1.388  -1.916
   70    HE1  TYR   9           HE1      TYR   9   2.981   0.595  -5.416
   71    HE2  TYR   9           HE2      TYR   9  -1.013   0.150  -3.954
   72    HH   TYR   9           HH       TYR   9   1.391  -0.902  -6.250
   73    H    GLU  10           H        GLU  10   4.867   1.419  -1.015
   74    HA   GLU  10           HA       GLU  10   4.816  -1.109  -2.201
   75    HB2  GLU  10           HB2      GLU  10   6.359   0.785  -2.712
   76    HB3  GLU  10           HB1      GLU  10   7.198   0.441  -1.212
   77    HG2  GLU  10           HG2      GLU  10   7.828  -1.739  -2.040
   78    HG3  GLU  10           HG1      GLU  10   6.920  -1.443  -3.524
   79    H    ALA  11           H        ALA  11   6.218  -0.034   0.925
   80    HA   ALA  11           HA       ALA  11   7.129  -2.584   1.696
   81    HB1  ALA  11           HB1      ALA  11   7.974  -0.516   2.701
   82    HB2  ALA  11           HB2      ALA  11   7.379  -1.634   3.929
   83    HB3  ALA  11           HB3      ALA  11   6.404  -0.243   3.455
   84    H    CYS  12           H        CYS  12   4.084  -0.935   2.095
   85    HA   CYS  12           HA       CYS  12   2.786  -2.592   3.898
   86    HB2  CYS  12           HB2      CYS  12   1.864  -0.467   3.030
   87    HB3  CYS  12           HB1      CYS  12   1.685  -1.194   1.447
   88    H    ARG  13           H        ARG  13   3.192  -2.894   0.428
   89    HA   ARG  13           HA       ARG  13   1.669  -5.265   0.128
   90    HB2  ARG  13           HB2      ARG  13   3.669  -3.871  -1.624
   91    HB3  ARG  13           HB1      ARG  13   2.827  -5.328  -2.122
   92    HG2  ARG  13           HG2      ARG  13   0.698  -4.205  -1.961
   93    HG3  ARG  13           HG1      ARG  13   1.474  -2.766  -1.300
   94    HD2  ARG  13           HD2      ARG  13   0.915  -2.553  -3.693
   95    HD3  ARG  13           HD1      ARG  13   2.636  -2.387  -3.371
   96    HE   ARG  13           HE       ARG  13   2.719  -4.837  -4.029
   97   HH11  ARG  13          HH11      ARG  13   0.230  -2.684  -5.404
   98   HH12  ARG  13          HH12      ARG  13   0.332  -3.362  -6.952
   99   HH21  ARG  13          HH21      ARG  13   2.778  -5.783  -6.201
  100   HH22  ARG  13          HH22      ARG  13   1.807  -5.116  -7.426
  101    H    VAL  14           H        VAL  14   5.147  -4.599   0.299
  102    HA   VAL  14           HA       VAL  14   6.028  -7.246   0.025
  103    HB   VAL  14           HB       VAL  14   7.370  -5.005   1.582
  104   HG11  VAL  14          HG11      VAL  14   8.548  -7.547   0.449
  105   HG12  VAL  14          HG12      VAL  14   8.318  -7.183   2.158
  106   HG13  VAL  14          3HG1      VAL  14   9.463  -6.242   1.201
  107   HG21  VAL  14          HG21      VAL  14   7.715  -5.865  -1.292
  108   HG22  VAL  14          HG22      VAL  14   8.674  -4.635  -0.469
  109   HG23  VAL  14          HG23      VAL  14   6.949  -4.376  -0.734
  110    H    ARG  15           H        ARG  15   5.157  -5.395   2.911
  111    HA   ARG  15           HA       ARG  15   5.775  -7.239   4.882
  112    HB2  ARG  15           HB2      ARG  15   5.096  -4.968   5.405
  113    HB3  ARG  15           HB1      ARG  15   3.489  -5.265   4.778
  114    HG2  ARG  15           HG2      ARG  15   3.513  -5.250   7.225
  115    HG3  ARG  15           HG1      ARG  15   3.043  -6.828   6.599
  116    HD2  ARG  15           HD2      ARG  15   4.585  -7.041   8.489
  117    HD3  ARG  15           HD1      ARG  15   5.300  -7.670   7.009
  118    HE   ARG  15           HE       ARG  15   6.073  -5.020   7.230
  119   HH11  ARG  15          HH11      ARG  15   6.565  -8.030   9.109
  120   HH12  ARG  15          HH12      ARG  15   8.101  -7.567   9.642
  121   HH21  ARG  15          HH21      ARG  15   8.193  -4.426   8.014
  122   HH22  ARG  15          HH22      ARG  15   9.045  -5.487   9.022
  123    H    CYS  16           H        CYS  16   2.797  -6.984   2.962
  124    HA   CYS  16           HA       CYS  16   1.666  -9.189   4.301
  125    HB2  CYS  16           HB2      CYS  16   0.853  -7.746   1.818
  126    HB3  CYS  16           HB1      CYS  16   0.030  -9.220   2.325
  127    H    GLN  17           H        GLN  17   3.685  -9.014   1.475
  128    HA   GLN  17           HA       GLN  17   3.218 -11.689   0.639
  129    HB2  GLN  17           HB2      GLN  17   5.641  -9.921   0.258
  130    HB3  GLN  17           HB1      GLN  17   5.377 -11.450  -0.564
  131    HG2  GLN  17           HG2      GLN  17   3.392 -10.534  -1.642
  132    HG3  GLN  17           HG1      GLN  17   3.649  -9.002  -0.807
  133   HE21  GLN  17          1HE2      GLN  17   3.840  -7.895  -2.756
  134   HE22  GLN  17          2HE2      GLN  17   5.253  -8.044  -3.740
  135    H    VAL  18           H        VAL  18   5.544 -10.166   2.773
  136    HA   VAL  18           HA       VAL  18   6.967 -12.550   3.360
  137    HB   VAL  18           HB       VAL  18   6.930  -9.904   4.837
  138   HG11  VAL  18          HG11      VAL  18   8.878 -12.202   5.064
  139   HG12  VAL  18          HG12      VAL  18   7.727 -11.692   6.298
  140   HG13  VAL  18          3HG1      VAL  18   9.054 -10.625   5.835
  141   HG21  VAL  18          HG21      VAL  18   7.707  -9.694   2.546
  142   HG22  VAL  18          HG22      VAL  18   8.848 -11.014   2.793
  143   HG23  VAL  18          HG23      VAL  18   9.053  -9.496   3.667
  144    H    ALA  19           H        ALA  19   4.636 -10.643   5.269
  145    HA   ALA  19           HA       ALA  19   4.758 -12.582   7.402
  146    HB1  ALA  19           HB1      ALA  19   3.404 -11.037   8.663
  147    HB2  ALA  19           HB2      ALA  19   3.100 -10.083   7.213
  148    HB3  ALA  19           HB3      ALA  19   4.730 -10.180   7.876
  149    H    GLU  20           H        GLU  20   2.198 -11.417   5.196
  150    HA   GLU  20           HA       GLU  20   0.256 -13.098   6.481
  151    HB2  GLU  20           HB2      GLU  20   0.017 -11.670   3.828
  152    HB3  GLU  20           HB1      GLU  20  -1.300 -12.361   4.756
  153    HG2  GLU  20           HG2      GLU  20   0.411 -10.017   5.558
  154    HG3  GLU  20           HG1      GLU  20  -1.247  -9.942   4.969
  155    H    HIS  21           H        HIS  21   1.780 -13.030   3.326
  156    HA   HIS  21           HA       HIS  21   2.249 -14.521   1.743
  157    HB2  HIS  21           HB2      HIS  21   3.593 -15.542   3.597
  158    HB3  HIS  21           HB1      HIS  21   2.241 -16.614   3.932
  159    HD1  HIS  21           HD1      HIS  21   5.290 -16.432   1.988
  160    HD2  HIS  21           HD2      HIS  21   1.629 -18.345   1.595
  161    HE1  HIS  21           HE1      HIS  21   5.620 -18.238   0.259
  162    H    GLY  22           H        GLY  22   0.684 -14.664   0.345
  163    HA2  GLY  22           HA2      GLY  22  -0.748 -16.888  -0.167
  164    HA3  GLY  22           HA1      GLY  22  -1.766 -15.975   0.943
  165    H    VAL  23           H        VAL  23  -1.996 -16.633  -1.969
  166    HA   VAL  23           HA       VAL  23  -1.673 -14.256  -3.461
  167    HB   VAL  23           HB       VAL  23  -3.581 -16.576  -3.953
  168   HG11  VAL  23          HG11      VAL  23  -2.619 -14.454  -5.865
  169   HG12  VAL  23          HG12      VAL  23  -4.246 -14.586  -5.200
  170   HG13  VAL  23          3HG1      VAL  23  -3.628 -15.839  -6.279
  171   HG21  VAL  23          HG21      VAL  23  -1.233 -17.264  -3.870
  172   HG22  VAL  23          HG22      VAL  23  -0.836 -16.058  -5.095
  173   HG23  VAL  23          HG23      VAL  23  -1.894 -17.409  -5.496
  174    H    GLU  24           H        GLU  24  -4.532 -15.730  -1.995
  175    HA   GLU  24           HA       GLU  24  -6.324 -13.662  -2.526
  176    HB2  GLU  24           HB2      GLU  24  -6.357 -15.561  -0.159
  177    HB3  GLU  24           HB1      GLU  24  -7.700 -14.566  -0.673
  178    HG2  GLU  24           HG2      GLU  24  -8.211 -16.706  -1.470
  179    HG3  GLU  24           HG1      GLU  24  -7.608 -15.844  -2.872
  180    H    ARG  25           H        ARG  25  -4.197 -14.207   0.187
  181    HA   ARG  25           HA       ARG  25  -5.054 -12.039   1.796
  182    HB2  ARG  25           HB2      ARG  25  -2.412 -13.495   1.743
  183    HB3  ARG  25           HB1      ARG  25  -2.919 -12.389   3.012
  184    HG2  ARG  25           HG2      ARG  25  -4.761 -13.844   3.589
  185    HG3  ARG  25           HG1      ARG  25  -4.359 -14.928   2.265
  186    HD2  ARG  25           HD2      ARG  25  -2.163 -15.343   3.333
  187    HD3  ARG  25           HD1      ARG  25  -2.655 -14.316   4.679
  188    HE   ARG  25           HE       ARG  25  -4.525 -16.393   4.157
  189   HH11  ARG  25          HH11      ARG  25  -1.413 -15.777   5.747
  190   HH12  ARG  25          HH12      ARG  25  -1.617 -16.999   6.899
  191   HH21  ARG  25          HH21      ARG  25  -4.751 -18.101   5.702
  192   HH22  ARG  25          HH22      ARG  25  -3.536 -18.370   6.872
  193    H    GLN  26           H        GLN  26  -2.477 -12.348  -0.583
  194    HA   GLN  26           HA       GLN  26  -1.369  -9.776  -0.192
  195    HB2  GLN  26           HB2      GLN  26  -0.188 -11.711  -1.157
  196    HB3  GLN  26           HB1      GLN  26  -1.239 -11.637  -2.555
  197    HG2  GLN  26           HG2      GLN  26  -0.296  -9.524  -3.199
  198    HG3  GLN  26           HG1      GLN  26   0.672  -9.475  -1.720
  199   HE21  GLN  26          1HE2      GLN  26   1.520  -9.515  -4.530
  200   HE22  GLN  26          2HE2      GLN  26   2.568 -10.871  -4.652
  201    H    ARG  27           H        ARG  27  -3.734 -11.123  -2.424
  202    HA   ARG  27           HA       ARG  27  -4.163  -8.865  -4.030
  203    HB2  ARG  27           HB2      ARG  27  -4.939 -11.132  -4.578
  204    HB3  ARG  27           HB1      ARG  27  -6.070 -11.068  -3.241
  205    HG2  ARG  27           HG2      ARG  27  -7.302  -9.294  -4.337
  206    HG3  ARG  27           HG1      ARG  27  -6.139  -9.287  -5.669
  207    HD2  ARG  27           HD2      ARG  27  -7.873 -11.607  -4.843
  208    HD3  ARG  27           HD1      ARG  27  -8.145 -10.559  -6.236
  209    HE   ARG  27           HE       ARG  27  -5.753 -11.380  -6.808
  210   HH11  ARG  27          HH11      ARG  27  -8.413 -13.365  -5.534
  211   HH12  ARG  27          HH12      ARG  27  -7.845 -14.799  -6.269
  212   HH21  ARG  27          HH21      ARG  27  -5.028 -13.366  -7.818
  213   HH22  ARG  27          HH22      ARG  27  -5.909 -14.802  -7.584
  214    H    ARG  28           H        ARG  28  -5.602  -9.920  -1.009
  215    HA   ARG  28           HA       ARG  28  -7.467  -7.830  -0.724
  216    HB2  ARG  28           HB2      ARG  28  -7.652  -9.844   0.607
  217    HB3  ARG  28           HB1      ARG  28  -6.076  -9.570   1.327
  218    HG2  ARG  28           HG2      ARG  28  -7.831  -9.046   2.905
  219    HG3  ARG  28           HG1      ARG  28  -6.956  -7.581   2.462
  220    HD2  ARG  28           HD2      ARG  28  -8.754  -7.016   0.877
  221    HD3  ARG  28           HD1      ARG  28  -9.634  -8.459   1.384
  222    HE   ARG  28           HE       ARG  28  -9.175  -7.153   3.696
  223   HH11  ARG  28          HH11      ARG  28 -10.711  -6.210   0.635
  224   HH12  ARG  28          HH12      ARG  28 -11.736  -5.056   1.330
  225   HH21  ARG  28          HH21      ARG  28 -10.618  -5.533   4.660
  226   HH22  ARG  28          HH22      ARG  28 -11.672  -4.650   3.666
  227    H    CYS  29           H        CYS  29  -4.185  -8.259   0.620
  228    HA   CYS  29           HA       CYS  29  -4.008  -5.843   1.929
  229    HB2  CYS  29           HB2      CYS  29  -1.934  -7.646   0.776
  230    HB3  CYS  29           HB1      CYS  29  -1.506  -6.140   1.569
  231    H    GLN  30           H        GLN  30  -3.108  -6.562  -1.453
  232    HA   GLN  30           HA       GLN  30  -1.877  -4.080  -1.874
  233    HB2  GLN  30           HB2      GLN  30  -1.944  -4.570  -4.249
  234    HB3  GLN  30           HB1      GLN  30  -1.595  -6.041  -3.370
  235    HG2  GLN  30           HG2      GLN  30  -3.929  -6.726  -3.614
  236    HG3  GLN  30           HG1      GLN  30  -4.245  -5.258  -4.536
  237   HE21  GLN  30          1HE2      GLN  30  -3.320  -5.034  -6.575
  238   HE22  GLN  30          2HE2      GLN  30  -2.775  -6.399  -7.467
  239    H    GLN  31           H        GLN  31  -5.223  -5.011  -1.970
  240    HA   GLN  31           HA       GLN  31  -6.220  -2.655  -3.222
  241    HB2  GLN  31           HB2      GLN  31  -7.492  -4.739  -3.162
  242    HB3  GLN  31           HB1      GLN  31  -7.549  -4.681  -1.409
  243    HG2  GLN  31           HG2      GLN  31  -8.879  -2.630  -1.542
  244    HG3  GLN  31           HG1      GLN  31  -8.842  -2.737  -3.302
  245   HE21  GLN  31          1HE2      GLN  31 -10.066  -4.290  -4.322
  246   HE22  GLN  31          2HE2      GLN  31 -11.319  -5.155  -3.523
  247    H    VAL  32           H        VAL  32  -5.690  -3.717   0.073
  248    HA   VAL  32           HA       VAL  32  -6.797  -1.474   1.394
  249    HB   VAL  32           HB       VAL  32  -4.642  -3.374   2.372
  250   HG11  VAL  32          HG11      VAL  32  -5.366  -2.722   4.627
  251   HG12  VAL  32          HG12      VAL  32  -6.462  -1.536   3.918
  252   HG13  VAL  32          3HG1      VAL  32  -4.722  -1.358   3.715
  253   HG21  VAL  32          HG21      VAL  32  -6.662  -4.574   1.734
  254   HG22  VAL  32          HG22      VAL  32  -7.635  -3.495   2.730
  255   HG23  VAL  32          HG23      VAL  32  -6.466  -4.578   3.486
  256    H    CYS  33           H        CYS  33  -3.475  -2.337   0.516
  257    HA   CYS  33           HA       CYS  33  -2.199  -0.084   1.560
  258    HB2  CYS  33           HB2      CYS  33  -1.346  -1.718  -0.843
  259    HB3  CYS  33           HB1      CYS  33  -0.309  -0.666   0.113
  260    H    GLU  34           H        GLU  34  -3.677  -0.614  -1.621
  261    HA   GLU  34           HA       GLU  34  -2.820   1.798  -2.823
  262    HB2  GLU  34           HB2      GLU  34  -3.751  -0.212  -4.004
  263    HB3  GLU  34           HB1      GLU  34  -5.331   0.197  -3.361
  264    HG2  GLU  34           HG2      GLU  34  -5.275   0.968  -5.587
  265    HG3  GLU  34           HG1      GLU  34  -5.141   2.389  -4.557
  266    H    LYS  35           H        LYS  35  -5.645   0.859  -0.947
  267    HA   LYS  35           HA       LYS  35  -7.157   3.223  -1.270
  268    HB2  LYS  35           HB2      LYS  35  -8.018   0.995  -0.448
  269    HB3  LYS  35           HB1      LYS  35  -7.247   1.345   1.086
  270    HG2  LYS  35           HG2      LYS  35  -8.665   3.327   1.359
  271    HG3  LYS  35           HG1      LYS  35  -9.445   2.978  -0.185
  272    HD2  LYS  35           HD2      LYS  35 -10.906   2.102   1.454
  273    HD3  LYS  35           HD1      LYS  35 -10.043   0.711   0.806
  274    HE2  LYS  35           HE2      LYS  35 -10.115   0.449   3.163
  275    HE3  LYS  35           HE1      LYS  35  -8.467   0.911   2.759
  276    HZ1  LYS  35           HZ1      LYS  35 -10.560   2.767   3.749
  277    HZ2  LYS  35           HZ2      LYS  35  -8.924   3.178   3.519
  278    HZ3  LYS  35           HZ3      LYS  35  -9.364   2.082   4.693
  279    H    ARG  36           H        ARG  36  -5.016   2.129   1.335
  280    HA   ARG  36           HA       ARG  36  -5.389   4.435   2.937
  281    HB2  ARG  36           HB2      ARG  36  -3.052   2.514   2.999
  282    HB3  ARG  36           HB1      ARG  36  -3.481   3.656   4.268
  283    HG2  ARG  36           HG2      ARG  36  -5.731   2.443   4.338
  284    HG3  ARG  36           HG1      ARG  36  -4.942   1.203   3.386
  285    HD2  ARG  36           HD2      ARG  36  -4.001   2.160   6.085
  286    HD3  ARG  36           HD1      ARG  36  -4.939   0.706   5.796
  287    HE   ARG  36           HE       ARG  36  -2.328   1.028   4.523
  288   HH11  ARG  36          HH11      ARG  36  -4.450  -0.763   6.774
  289   HH12  ARG  36          HH12      ARG  36  -3.292  -1.934   7.157
  290   HH21  ARG  36          HH21      ARG  36  -0.715  -0.632   5.098
  291   HH22  ARG  36          HH22      ARG  36  -1.156  -1.851   6.206
  292    H    LEU  37           H        LEU  37  -3.131   3.630   0.433
  293    HA   LEU  37           HA       LEU  37  -1.382   5.801   0.723
  294    HB2  LEU  37           HB2      LEU  37  -0.985   3.715  -0.603
  295    HB3  LEU  37           HB1      LEU  37  -2.172   4.246  -1.759
  296    HG   LEU  37           HG       LEU  37   0.223   4.447  -2.471
  297   HD11  LEU  37          HD11      LEU  37  -1.323   7.016  -2.442
  298   HD12  LEU  37          HD12      LEU  37  -1.477   5.697  -3.606
  299   HD13  LEU  37          HD13      LEU  37   0.023   6.614  -3.514
  300   HD21  LEU  37          HD21      LEU  37   1.531   6.333  -1.639
  301   HD22  LEU  37          HD22      LEU  37   1.198   5.151  -0.372
  302   HD23  LEU  37          HD23      LEU  37   0.286   6.659  -0.434
  303    H    ARG  38           H        ARG  38  -4.377   5.344  -1.098
  304    HA   ARG  38           HA       ARG  38  -4.411   7.872  -2.394
  305    HB2  ARG  38           HB2      ARG  38  -5.736   5.870  -3.098
  306    HB3  ARG  38           HB1      ARG  38  -6.756   6.119  -1.695
  307    HG2  ARG  38           HG2      ARG  38  -7.290   8.394  -2.578
  308    HG3  ARG  38           HG1      ARG  38  -6.440   7.943  -4.060
  309    HD2  ARG  38           HD2      ARG  38  -8.785   7.534  -4.363
  310    HD3  ARG  38           HD1      ARG  38  -7.936   5.992  -4.255
  311    HE   ARG  38           HE       ARG  38  -9.066   7.065  -1.813
  312   HH11  ARG  38          HH11      ARG  38  -9.400   4.748  -4.468
  313   HH12  ARG  38          HH12      ARG  38 -10.535   3.774  -3.656
  314   HH21  ARG  38          HH21      ARG  38 -10.637   5.709  -0.690
  315   HH22  ARG  38          HH22      ARG  38 -11.262   4.349  -1.485
  316    H    GLU  39           H        GLU  39  -5.834   6.653   0.600
  317    HA   GLU  39           HA       GLU  39  -7.332   8.916   1.309
  318    HB2  GLU  39           HB2      GLU  39  -5.969   6.879   3.072
  319    HB3  GLU  39           HB1      GLU  39  -7.098   8.085   3.661
  320    HG2  GLU  39           HG2      GLU  39  -8.847   7.112   2.240
  321    HG3  GLU  39           HG1      GLU  39  -7.702   5.881   1.704
  322    H    ARG  40           H        ARG  40  -3.996   8.071   1.857
  323    HA   ARG  40           HA       ARG  40  -3.275  10.248   3.474
  324    HB2  ARG  40           HB2      ARG  40  -2.001   8.147   3.197
  325    HB3  ARG  40           HB1      ARG  40  -1.593   8.626   1.564
  326    HG2  ARG  40           HG2      ARG  40  -0.331  10.518   2.429
  327    HG3  ARG  40           HG1      ARG  40  -0.778  10.070   4.074
  328    HD2  ARG  40           HD2      ARG  40   0.294   7.880   3.746
  329    HD3  ARG  40           HD1      ARG  40   0.824   8.394   2.147
  330    HE   ARG  40           HE       ARG  40   1.930  10.274   3.507
  331   HH11  ARG  40          HH11      ARG  40   1.663   6.877   4.493
  332   HH12  ARG  40          HH12      ARG  40   3.047   6.896   5.473
  333   HH21  ARG  40          HH21      ARG  40   3.829  10.306   4.836
  334   HH22  ARG  40          HH22      ARG  40   4.308   8.914   5.709
  335    H    GLU  41           H        GLU  41  -3.491   9.836  -0.017
  336    HA   GLU  41           HA       GLU  41  -2.246  12.289  -0.760
  337    HB2  GLU  41           HB2      GLU  41  -4.325  10.719  -2.284
  338    HB3  GLU  41           HB1      GLU  41  -3.253  11.942  -2.953
  339    HG2  GLU  41           HG2      GLU  41  -1.347  10.542  -2.412
  340    HG3  GLU  41           HG1      GLU  41  -2.440   9.312  -1.776
  341    H    GLY  42           H        GLY  42  -5.407  11.430   0.308
  342    HA2  GLY  42           HA2      GLY  42  -6.606  13.952  -0.439
  343    HA3  GLY  42           HA1      GLY  42  -7.347  12.697   0.551
  344    H    ARG  43           H        ARG  43  -4.899  12.627   2.199
  345    HA   ARG  43           HA       ARG  43  -5.686  14.581   4.141
  346    HB2  ARG  43           HB2      ARG  43  -4.993  12.393   4.904
  347    HB3  ARG  43           HB1      ARG  43  -3.437  12.568   4.110
  348    HG2  ARG  43           HG2      ARG  43  -2.887  14.416   5.633
  349    HG3  ARG  43           HG1      ARG  43  -4.429  14.178   6.455
  350    HD2  ARG  43           HD2      ARG  43  -3.782  11.968   7.125
  351    HD3  ARG  43           HD1      ARG  43  -2.298  12.072   6.173
  352    HE   ARG  43           HE       ARG  43  -2.374  14.184   7.983
  353   HH11  ARG  43          HH11      ARG  43  -2.062  10.659   8.037
  354   HH12  ARG  43          HH12      ARG  43  -1.064  10.619   9.409
  355   HH21  ARG  43          HH21      ARG  43  -0.992  14.147   9.872
  356   HH22  ARG  43          HH22      ARG  43  -0.436  12.665  10.479
  357    H    ARG  44           H        ARG  44  -2.800  14.036   2.137
  358    HA   ARG  44           HA       ARG  44  -1.742  16.565   3.075
  359    HB2  ARG  44           HB2      ARG  44  -0.210  14.605   2.851
  360    HB3  ARG  44           HB1      ARG  44  -0.488  14.630   1.113
  361    HG2  ARG  44           HG2      ARG  44   0.437  16.892   0.994
  362    HG3  ARG  44           HG1      ARG  44   0.723  16.863   2.729
  363    HD2  ARG  44           HD2      ARG  44   2.247  14.948   2.406
  364    HD3  ARG  44           HD1      ARG  44   1.998  15.078   0.663
  365    HE   ARG  44           HE       ARG  44   2.751  17.569   1.664
  366   HH11  ARG  44          HH11      ARG  44   4.173  14.412   0.962
  367   HH12  ARG  44          HH12      ARG  44   5.774  14.982   0.845
  368   HH21  ARG  44          HH21      ARG  44   4.965  18.372   1.511
  369   HH22  ARG  44          HH22      ARG  44   6.225  17.296   1.153
  370    H    GLU  45           H        GLU  45  -1.634  18.353   1.914
  371    HA   GLU  45           HA       GLU  45  -3.227  18.518  -0.484
  372    HB2  GLU  45           HB2      GLU  45  -1.739  20.602   1.111
  373    HB3  GLU  45           HB1      GLU  45  -2.759  20.951  -0.278
  374    HG2  GLU  45           HG2      GLU  45  -3.667  19.696   2.301
  375    HG3  GLU  45           HG1      GLU  45  -3.911  21.378   1.826
  376    H    VAL  46           H        VAL  46  -2.277  19.942  -2.307
  377    HA   VAL  46           HA       VAL  46   0.412  18.957  -2.863
  378    HB   VAL  46           HB       VAL  46  -0.018  19.530  -5.265
  379   HG11  VAL  46          HG11      VAL  46  -1.980  17.623  -4.013
  380   HG12  VAL  46          HG12      VAL  46  -0.323  17.256  -4.495
  381   HG13  VAL  46          3HG1      VAL  46  -1.532  17.652  -5.717
  382   HG21  VAL  46          HG21      VAL  46  -2.308  19.958  -6.013
  383   HG22  VAL  46          HG22      VAL  46  -1.753  21.235  -4.926
  384   HG23  VAL  46          HG23      VAL  46  -2.854  19.991  -4.340
  385    H    ASP  47           H        ASP  47   1.983  20.305  -3.776
  386    HA   ASP  47           HA       ASP  47   1.633  23.145  -3.138
  387    HB2  ASP  47           HB2      ASP  47   4.096  21.427  -2.697
  388    HB3  ASP  47           HB1      ASP  47   4.020  23.165  -2.468
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1  13.601   9.935   2.970
    2    H3   PRO   1           HT2      PRO   1  13.924  10.479   4.473
    3    HA   PRO   1           HA       PRO   1  13.782  12.466   3.901
    4    HB2  PRO   1           HB2      PRO   1  14.983  12.256   1.211
    5    HB3  PRO   1           HB1      PRO   1  15.322  13.414   2.505
    6    HG2  PRO   1           HG2      PRO   1  16.988  11.356   1.928
    7    HG3  PRO   1           HG1      PRO   1  16.805  12.023   3.558
    8    HD2  PRO   1           HD2      PRO   1  15.787   9.457   2.445
    9    HD3  PRO   1           HD1      PRO   1  16.209   9.874   4.112
   10    H    ARG   2           H        ARG   2  12.780  13.729   1.897
   11    HA   ARG   2           HA       ARG   2  11.090  14.057   0.420
   12    HB2  ARG   2           HB2      ARG   2  11.118  11.072  -0.064
   13    HB3  ARG   2           HB1      ARG   2  10.287  12.258  -1.040
   14    HG2  ARG   2           HG2      ARG   2  12.443  13.174  -1.750
   15    HG3  ARG   2           HG1      ARG   2  13.269  11.981  -0.740
   16    HD2  ARG   2           HD2      ARG   2  11.483  11.425  -3.115
   17    HD3  ARG   2           HD1      ARG   2  13.224  11.175  -3.023
   18    HE   ARG   2           HE       ARG   2  11.856   9.719  -0.998
   19   HH11  ARG   2          HH11      ARG   2  12.752   9.549  -4.421
   20   HH12  ARG   2          HH12      ARG   2  12.510   7.878  -4.547
   21   HH21  ARG   2          HH21      ARG   2  11.522   7.386  -1.181
   22   HH22  ARG   2          HH22      ARG   2  11.809   6.626  -2.672
   23    H    GLY   3           H        GLY   3   8.770  13.196  -0.055
   24    HA2  GLY   3           HA2      GLY   3   7.602  12.117   2.410
   25    HA3  GLY   3           HA1      GLY   3   6.787  13.277   1.345
   26    H    SER   4           H        SER   4   8.107  10.049   1.531
   27    HA   SER   4           HA       SER   4   7.028   9.356  -1.063
   28    HB2  SER   4           HB2      SER   4   8.734   7.746   0.819
   29    HB3  SER   4           HB1      SER   4   8.481   7.461  -0.902
   30    HG   SER   4           HG       SER   4   9.369   9.563  -1.234
   31    HA   PRO   5           HA       PRO   5   3.873   7.011   1.215
   32    HB2  PRO   5           HB2      PRO   5   1.785   7.597  -0.393
   33    HB3  PRO   5           HB1      PRO   5   2.342   8.685   0.877
   34    HG2  PRO   5           HG2      PRO   5   2.565   8.962  -2.034
   35    HG3  PRO   5           HG1      PRO   5   2.724  10.195  -0.776
   36    HD2  PRO   5           HD2      PRO   5   4.809   8.784  -2.204
   37    HD3  PRO   5           HD1      PRO   5   4.970  10.111  -1.036
   38    H    ARG   6           H        ARG   6   4.971   6.882  -2.084
   39    HA   ARG   6           HA       ARG   6   3.329   4.686  -2.918
   40    HB2  ARG   6           HB2      ARG   6   5.894   5.744  -4.135
   41    HB3  ARG   6           HB1      ARG   6   4.861   4.532  -4.865
   42    HG2  ARG   6           HG2      ARG   6   3.026   6.129  -4.967
   43    HG3  ARG   6           HG1      ARG   6   4.057   7.356  -4.231
   44    HD2  ARG   6           HD2      ARG   6   5.556   7.272  -6.142
   45    HD3  ARG   6           HD1      ARG   6   4.597   5.979  -6.863
   46    HE   ARG   6           HE       ARG   6   2.875   8.064  -6.377
   47   HH11  ARG   6          HH11      ARG   6   5.765   7.589  -8.405
   48   HH12  ARG   6          HH12      ARG   6   5.243   8.649  -9.618
   49   HH21  ARG   6          HH21      ARG   6   2.182   9.545  -8.094
   50   HH22  ARG   6          HH22      ARG   6   3.190   9.758  -9.453
   51    H    THR   7           H        THR   7   6.369   5.048  -1.342
   52    HA   THR   7           HA       THR   7   7.286   2.410  -1.623
   53    HB   THR   7           HB       THR   7   8.656   3.242   0.402
   54    HG1  THR   7           HG1      THR   7   8.302   5.265   0.975
   55   HG21  THR   7          HG21      THR   7  10.017   4.678  -1.094
   56   HG22  THR   7          HG22      THR   7   8.681   4.679  -2.251
   57   HG23  THR   7          HG23      THR   7   9.526   3.177  -1.878
   58    H    GLU   8           H        GLU   8   5.305   4.175   0.693
   59    HA   GLU   8           HA       GLU   8   5.141   2.217   2.725
   60    HB2  GLU   8           HB2      GLU   8   3.134   4.321   1.897
   61    HB3  GLU   8           HB1      GLU   8   3.037   3.380   3.373
   62    HG2  GLU   8           HG2      GLU   8   5.108   4.385   4.158
   63    HG3  GLU   8           HG1      GLU   8   5.230   5.302   2.654
   64    H    TYR   9           H        TYR   9   3.092   2.973  -0.058
   65    HA   TYR   9           HA       TYR   9   1.239   0.949   0.329
   66    HB2  TYR   9           HB2      TYR   9   0.486   2.627  -1.053
   67    HB3  TYR   9           HB1      TYR   9   2.039   2.814  -1.847
   68    HD1  TYR   9           HD1      TYR   9  -0.981   0.692  -1.689
   69    HD2  TYR   9           HD2      TYR   9   2.492   1.798  -3.750
   70    HE1  TYR   9           HE1      TYR   9  -1.748  -0.631  -3.619
   71    HE2  TYR   9           HE2      TYR   9   1.796   0.497  -5.723
   72    HH   TYR   9           HH       TYR   9  -1.389  -0.718  -6.038
   73    H    GLU  10           H        GLU  10   4.241   1.069  -1.547
   74    HA   GLU  10           HA       GLU  10   4.050  -1.532  -2.594
   75    HB2  GLU  10           HB2      GLU  10   5.567   0.165  -3.510
   76    HB3  GLU  10           HB1      GLU  10   6.504   0.138  -2.026
   77    HG2  GLU  10           HG2      GLU  10   7.153  -2.165  -2.458
   78    HG3  GLU  10           HG1      GLU  10   6.157  -2.162  -3.916
   79    H    ALA  11           H        ALA  11   5.552  -0.273   0.367
   80    HA   ALA  11           HA       ALA  11   6.711  -2.628   1.299
   81    HB1  ALA  11           HB1      ALA  11   7.175  -0.405   2.256
   82    HB2  ALA  11           HB2      ALA  11   6.722  -1.574   3.494
   83    HB3  ALA  11           HB3      ALA  11   5.552  -0.377   2.941
   84    H    CYS  12           H        CYS  12   3.477  -1.356   1.678
   85    HA   CYS  12           HA       CYS  12   2.391  -3.194   3.442
   86    HB2  CYS  12           HB2      CYS  12   1.147  -1.235   2.716
   87    HB3  CYS  12           HB1      CYS  12   1.117  -1.835   1.066
   88    H    ARG  13           H        ARG  13   2.869  -3.440  -0.028
   89    HA   ARG  13           HA       ARG  13   1.459  -5.873  -0.434
   90    HB2  ARG  13           HB2      ARG  13   3.712  -4.673  -2.054
   91    HB3  ARG  13           HB1      ARG  13   2.598  -5.913  -2.602
   92    HG2  ARG  13           HG2      ARG  13   0.754  -4.345  -2.490
   93    HG3  ARG  13           HG1      ARG  13   1.822  -3.103  -1.834
   94    HD2  ARG  13           HD2      ARG  13   1.502  -2.702  -4.187
   95    HD3  ARG  13           HD1      ARG  13   3.161  -3.223  -3.910
   96    HE   ARG  13           HE       ARG  13   1.295  -5.314  -4.631
   97   HH11  ARG  13          HH11      ARG  13   3.744  -3.037  -5.841
   98   HH12  ARG  13          HH12      ARG  13   3.932  -3.850  -7.311
   99   HH21  ARG  13          HH21      ARG  13   1.543  -6.359  -6.637
  100   HH22  ARG  13          HH22      ARG  13   2.668  -5.789  -7.791
  101    H    VAL  14           H        VAL  14   4.850  -5.025  -0.038
  102    HA   VAL  14           HA       VAL  14   5.909  -7.639  -0.238
  103    HB   VAL  14           HB       VAL  14   7.142  -5.249   1.155
  104   HG11  VAL  14          HG11      VAL  14   8.423  -7.672  -0.103
  105   HG12  VAL  14          HG12      VAL  14   8.301  -7.339   1.624
  106   HG13  VAL  14          3HG1      VAL  14   9.282  -6.297   0.591
  107   HG21  VAL  14          HG21      VAL  14   6.447  -4.660  -1.100
  108   HG22  VAL  14          HG22      VAL  14   7.304  -6.059  -1.745
  109   HG23  VAL  14          HG23      VAL  14   8.202  -4.743  -0.987
  110    H    ARG  15           H        ARG  15   4.957  -5.652   2.515
  111    HA   ARG  15           HA       ARG  15   5.852  -7.298   4.573
  112    HB2  ARG  15           HB2      ARG  15   5.075  -5.000   4.954
  113    HB3  ARG  15           HB1      ARG  15   3.443  -5.462   4.510
  114    HG2  ARG  15           HG2      ARG  15   3.667  -5.241   6.922
  115    HG3  ARG  15           HG1      ARG  15   3.311  -6.909   6.476
  116    HD2  ARG  15           HD2      ARG  15   5.680  -7.471   6.702
  117    HD3  ARG  15           HD1      ARG  15   6.035  -5.800   7.151
  118    HE   ARG  15           HE       ARG  15   4.241  -6.429   8.978
  119   HH11  ARG  15          HH11      ARG  15   7.071  -8.280   7.920
  120   HH12  ARG  15          HH12      ARG  15   7.226  -9.101   9.415
  121   HH21  ARG  15          HH21      ARG  15   4.502  -7.516  10.967
  122   HH22  ARG  15          HH22      ARG  15   5.774  -8.664  11.174
  123    H    CYS  16           H        CYS  16   2.671  -7.210   2.980
  124    HA   CYS  16           HA       CYS  16   1.805  -9.477   4.451
  125    HB2  CYS  16           HB2      CYS  16   0.598  -8.066   2.089
  126    HB3  CYS  16           HB1      CYS  16  -0.165  -9.429   2.908
  127    H    GLN  17           H        GLN  17   3.560  -9.102   1.546
  128    HA   GLN  17           HA       GLN  17   3.048 -11.537   0.270
  129    HB2  GLN  17           HB2      GLN  17   4.360  -9.624  -0.654
  130    HB3  GLN  17           HB1      GLN  17   5.659 -10.021   0.452
  131    HG2  GLN  17           HG2      GLN  17   5.939 -12.179  -0.659
  132    HG3  GLN  17           HG1      GLN  17   4.629 -11.769  -1.768
  133   HE21  GLN  17          1HE2      GLN  17   5.864 -11.803  -3.583
  134   HE22  GLN  17          2HE2      GLN  17   7.075 -10.627  -3.940
  135    H    VAL  18           H        VAL  18   5.314 -10.622   2.792
  136    HA   VAL  18           HA       VAL  18   6.158 -13.373   3.064
  137    HB   VAL  18           HB       VAL  18   7.919 -11.695   3.030
  138   HG11  VAL  18          HG11      VAL  18   8.259 -10.093   4.842
  139   HG12  VAL  18          HG12      VAL  18   6.707 -10.562   5.537
  140   HG13  VAL  18          3HG1      VAL  18   6.765  -9.787   3.954
  141   HG21  VAL  18          HG21      VAL  18   9.156 -12.337   5.043
  142   HG22  VAL  18          HG22      VAL  18   8.346 -13.715   4.295
  143   HG23  VAL  18          HG23      VAL  18   7.666 -12.972   5.743
  144    H    ALA  19           H        ALA  19   4.431 -10.945   5.028
  145    HA   ALA  19           HA       ALA  19   4.375 -12.646   7.326
  146    HB1  ALA  19           HB1      ALA  19   2.777 -10.145   6.826
  147    HB2  ALA  19           HB2      ALA  19   4.389 -10.200   7.537
  148    HB3  ALA  19           HB3      ALA  19   3.027 -10.939   8.380
  149    H    GLU  20           H        GLU  20   1.981 -11.829   4.855
  150    HA   GLU  20           HA       GLU  20  -0.022 -13.419   6.195
  151    HB2  GLU  20           HB2      GLU  20  -0.027 -12.055   3.503
  152    HB3  GLU  20           HB1      GLU  20  -1.377 -12.985   4.136
  153    HG2  GLU  20           HG2      GLU  20  -0.208 -10.511   5.392
  154    HG3  GLU  20           HG1      GLU  20  -1.689 -10.581   4.433
  155    H    HIS  21           H        HIS  21   1.883 -13.577   3.257
  156    HA   HIS  21           HA       HIS  21   2.530 -15.231   1.898
  157    HB2  HIS  21           HB2      HIS  21   3.573 -16.132   3.977
  158    HB3  HIS  21           HB1      HIS  21   2.100 -17.018   4.322
  159    HD1  HIS  21           HD1      HIS  21   1.996 -19.364   3.405
  160    HD2  HIS  21           HD2      HIS  21   4.958 -17.078   1.607
  161    HE1  HIS  21           HE1      HIS  21   3.324 -20.956   1.969
  162    H    GLY  22           H        GLY  22   0.747 -14.873   0.597
  163    HA2  GLY  22           HA2      GLY  22  -0.685 -17.015  -0.279
  164    HA3  GLY  22           HA1      GLY  22  -1.719 -16.215   0.912
  165    H    VAL  23           H        VAL  23  -1.925 -16.401  -2.057
  166    HA   VAL  23           HA       VAL  23  -1.117 -13.951  -3.211
  167    HB   VAL  23           HB       VAL  23  -3.299 -15.815  -4.193
  168   HG11  VAL  23          HG11      VAL  23  -3.414 -13.634  -5.263
  169   HG12  VAL  23          HG12      VAL  23  -2.836 -14.849  -6.405
  170   HG13  VAL  23          3HG1      VAL  23  -1.700 -13.722  -5.666
  171   HG21  VAL  23          HG21      VAL  23  -1.173 -16.992  -3.918
  172   HG22  VAL  23          HG22      VAL  23  -0.363 -15.752  -4.875
  173   HG23  VAL  23          HG23      VAL  23  -1.570 -16.790  -5.624
  174    H    GLU  24           H        GLU  24  -4.287 -15.029  -1.993
  175    HA   GLU  24           HA       GLU  24  -5.538 -12.592  -2.730
  176    HB2  GLU  24           HB2      GLU  24  -6.927 -14.533  -2.562
  177    HB3  GLU  24           HB1      GLU  24  -6.432 -14.816  -0.900
  178    HG2  GLU  24           HG2      GLU  24  -7.533 -12.758  -0.216
  179    HG3  GLU  24           HG1      GLU  24  -8.021 -12.463  -1.882
  180    H    ARG  25           H        ARG  25  -4.161 -13.831   0.233
  181    HA   ARG  25           HA       ARG  25  -5.019 -11.698   1.879
  182    HB2  ARG  25           HB2      ARG  25  -2.668 -13.565   2.223
  183    HB3  ARG  25           HB1      ARG  25  -3.255 -12.455   3.456
  184    HG2  ARG  25           HG2      ARG  25  -5.358 -13.607   3.574
  185    HG3  ARG  25           HG1      ARG  25  -4.907 -14.652   2.234
  186    HD2  ARG  25           HD2      ARG  25  -4.637 -15.835   4.328
  187    HD3  ARG  25           HD1      ARG  25  -3.064 -15.550   3.589
  188    HE   ARG  25           HE       ARG  25  -3.505 -13.441   5.328
  189   HH11  ARG  25          HH11      ARG  25  -3.120 -16.947   5.599
  190   HH12  ARG  25          HH12      ARG  25  -2.489 -16.888   7.178
  191   HH21  ARG  25          HH21      ARG  25  -2.656 -13.365   7.430
  192   HH22  ARG  25          HH22      ARG  25  -2.230 -14.795   8.284
  193    H    GLN  26           H        GLN  26  -2.152 -12.152  -0.078
  194    HA   GLN  26           HA       GLN  26  -0.778  -9.816   0.760
  195    HB2  GLN  26           HB2      GLN  26   0.285 -11.741  -0.377
  196    HB3  GLN  26           HB1      GLN  26  -0.598 -11.340  -1.839
  197    HG2  GLN  26           HG2      GLN  26   0.572  -9.186  -1.929
  198    HG3  GLN  26           HG1      GLN  26   1.490  -9.646  -0.495
  199   HE21  GLN  26          1HE2      GLN  26   2.471  -9.030  -3.110
  200   HE22  GLN  26          2HE2      GLN  26   3.320 -10.418  -3.672
  201    H    ARG  27           H        ARG  27  -2.941 -10.574  -1.943
  202    HA   ARG  27           HA       ARG  27  -2.777  -7.985  -3.063
  203    HB2  ARG  27           HB2      ARG  27  -3.334  -9.949  -4.410
  204    HB3  ARG  27           HB1      ARG  27  -4.832 -10.143  -3.518
  205    HG2  ARG  27           HG2      ARG  27  -5.753  -8.172  -4.457
  206    HG3  ARG  27           HG1      ARG  27  -4.190  -7.677  -5.113
  207    HD2  ARG  27           HD2      ARG  27  -5.747 -10.122  -5.935
  208    HD3  ARG  27           HD1      ARG  27  -5.615  -8.618  -6.856
  209    HE   ARG  27           HE       ARG  27  -3.061  -9.259  -6.466
  210   HH11  ARG  27          HH11      ARG  27  -5.748 -11.130  -7.794
  211   HH12  ARG  27          HH12      ARG  27  -4.748 -12.140  -8.724
  212   HH21  ARG  27          HH21      ARG  27  -1.715 -10.611  -7.727
  213   HH22  ARG  27          HH22      ARG  27  -2.389 -11.841  -8.683
  214    H    ARG  28           H        ARG  28  -4.787  -9.451  -0.665
  215    HA   ARG  28           HA       ARG  28  -6.813  -7.560  -0.493
  216    HB2  ARG  28           HB2      ARG  28  -6.813  -9.684   0.790
  217    HB3  ARG  28           HB1      ARG  28  -5.480  -9.090   1.764
  218    HG2  ARG  28           HG2      ARG  28  -7.589  -8.925   2.972
  219    HG3  ARG  28           HG1      ARG  28  -6.919  -7.324   2.662
  220    HD2  ARG  28           HD2      ARG  28  -8.420  -7.065   0.756
  221    HD3  ARG  28           HD1      ARG  28  -9.090  -8.669   1.057
  222    HE   ARG  28           HE       ARG  28  -9.590  -7.551   3.362
  223   HH11  ARG  28          HH11      ARG  28  -9.939  -6.133   0.135
  224   HH12  ARG  28          HH12      ARG  28 -11.248  -5.136   0.551
  225   HH21  ARG  28          HH21      ARG  28 -11.350  -6.157   3.963
  226   HH22  ARG  28          HH22      ARG  28 -12.085  -5.134   2.809
  227    H    CYS  29           H        CYS  29  -3.671  -7.700   1.206
  228    HA   CYS  29           HA       CYS  29  -3.833  -5.202   2.419
  229    HB2  CYS  29           HB2      CYS  29  -1.430  -6.733   1.446
  230    HB3  CYS  29           HB1      CYS  29  -1.368  -5.333   2.505
  231    H    GLN  30           H        GLN  30  -2.460  -6.190  -0.700
  232    HA   GLN  30           HA       GLN  30  -1.438  -3.809  -1.639
  233    HB2  GLN  30           HB2      GLN  30  -1.221  -5.974  -2.806
  234    HB3  GLN  30           HB1      GLN  30  -2.931  -5.919  -3.203
  235    HG2  GLN  30           HG2      GLN  30  -2.531  -3.913  -4.572
  236    HG3  GLN  30           HG1      GLN  30  -0.810  -4.033  -4.212
  237   HE21  GLN  30          1HE2      GLN  30  -3.468  -5.454  -5.931
  238   HE22  GLN  30          2HE2      GLN  30  -2.528  -6.443  -6.970
  239    H    GLN  31           H        GLN  31  -4.760  -5.002  -1.944
  240    HA   GLN  31           HA       GLN  31  -5.710  -2.743  -3.374
  241    HB2  GLN  31           HB2      GLN  31  -6.713  -5.016  -3.503
  242    HB3  GLN  31           HB1      GLN  31  -7.292  -4.821  -1.856
  243    HG2  GLN  31           HG2      GLN  31  -9.076  -4.391  -3.422
  244    HG3  GLN  31           HG1      GLN  31  -8.647  -2.915  -2.558
  245   HE21  GLN  31          1HE2      GLN  31  -6.805  -4.279  -5.220
  246   HE22  GLN  31          2HE2      GLN  31  -7.098  -3.006  -6.328
  247    H    VAL  32           H        VAL  32  -5.956  -3.706   0.058
  248    HA   VAL  32           HA       VAL  32  -7.591  -1.554   0.867
  249    HB   VAL  32           HB       VAL  32  -5.593  -3.157   2.514
  250   HG11  VAL  32          HG11      VAL  32  -6.119  -1.019   3.607
  251   HG12  VAL  32          HG12      VAL  32  -6.815  -2.381   4.487
  252   HG13  VAL  32          3HG1      VAL  32  -7.841  -1.376   3.464
  253   HG21  VAL  32          HG21      VAL  32  -7.573  -4.381   3.288
  254   HG22  VAL  32          HG22      VAL  32  -7.353  -4.522   1.546
  255   HG23  VAL  32          HG23      VAL  32  -8.579  -3.434   2.191
  256    H    CYS  33           H        CYS  33  -4.082  -1.947   0.894
  257    HA   CYS  33           HA       CYS  33  -3.576   0.634   1.896
  258    HB2  CYS  33           HB2      CYS  33  -1.807  -1.335   0.454
  259    HB3  CYS  33           HB1      CYS  33  -1.210   0.166   1.147
  260    H    GLU  34           H        GLU  34  -4.108  -0.615  -1.328
  261    HA   GLU  34           HA       GLU  34  -3.116   1.621  -2.734
  262    HB2  GLU  34           HB2      GLU  34  -3.670  -0.665  -3.727
  263    HB3  GLU  34           HB1      GLU  34  -5.350  -0.219  -3.582
  264    HG2  GLU  34           HG2      GLU  34  -5.212   1.416  -5.219
  265    HG3  GLU  34           HG1      GLU  34  -3.452   1.493  -5.123
  266    H    LYS  35           H        LYS  35  -6.283   0.752  -1.468
  267    HA   LYS  35           HA       LYS  35  -7.691   3.010  -2.335
  268    HB2  LYS  35           HB2      LYS  35  -8.853   1.103  -1.357
  269    HB3  LYS  35           HB1      LYS  35  -8.072   1.384   0.194
  270    HG2  LYS  35           HG2      LYS  35  -9.212   3.566   0.351
  271    HG3  LYS  35           HG1      LYS  35 -10.041   3.232  -1.163
  272    HD2  LYS  35           HD2      LYS  35 -10.265   1.604   1.371
  273    HD3  LYS  35           HD1      LYS  35 -11.446   2.782   0.808
  274    HE2  LYS  35           HE2      LYS  35 -11.813   1.436  -1.207
  275    HE3  LYS  35           HE1      LYS  35 -10.638   0.255  -0.627
  276    HZ1  LYS  35           HZ1      LYS  35 -12.871  -0.478  -0.124
  277    HZ2  LYS  35           HZ2      LYS  35 -13.203   0.981   0.648
  278    HZ3  LYS  35           HZ3      LYS  35 -12.082  -0.083   1.322
  279    H    ARG  36           H        ARG  36  -6.069   2.404   0.753
  280    HA   ARG  36           HA       ARG  36  -6.506   4.907   1.916
  281    HB2  ARG  36           HB2      ARG  36  -4.259   2.957   2.369
  282    HB3  ARG  36           HB1      ARG  36  -4.592   4.342   3.397
  283    HG2  ARG  36           HG2      ARG  36  -6.775   3.435   3.947
  284    HG3  ARG  36           HG1      ARG  36  -6.480   2.052   2.889
  285    HD2  ARG  36           HD2      ARG  36  -6.052   1.491   5.228
  286    HD3  ARG  36           HD1      ARG  36  -4.580   1.402   4.257
  287    HE   ARG  36           HE       ARG  36  -5.103   3.881   5.685
  288   HH11  ARG  36          HH11      ARG  36  -3.321   0.813   5.649
  289   HH12  ARG  36          HH12      ARG  36  -2.070   1.392   6.642
  290   HH21  ARG  36          HH21      ARG  36  -3.431   4.630   7.057
  291   HH22  ARG  36          HH22      ARG  36  -2.140   3.596   7.509
  292    H    LEU  37           H        LEU  37  -3.935   3.827  -0.194
  293    HA   LEU  37           HA       LEU  37  -2.243   6.047   0.017
  294    HB2  LEU  37           HB2      LEU  37  -1.646   3.818  -0.937
  295    HB3  LEU  37           HB1      LEU  37  -2.690   4.118  -2.288
  296    HG   LEU  37           HG       LEU  37  -0.204   4.296  -2.690
  297   HD11  LEU  37          HD11      LEU  37  -1.773   5.169  -4.270
  298   HD12  LEU  37          HD12      LEU  37  -0.342   6.193  -4.149
  299   HD13  LEU  37          HD13      LEU  37  -1.857   6.701  -3.386
  300   HD21  LEU  37          HD21      LEU  37   0.407   5.476  -0.661
  301   HD22  LEU  37          HD22      LEU  37  -0.529   6.880  -1.179
  302   HD23  LEU  37          HD23      LEU  37   0.894   6.382  -2.092
  303    H    ARG  38           H        ARG  38  -4.916   5.311  -2.177
  304    HA   ARG  38           HA       ARG  38  -4.720   7.765  -3.603
  305    HB2  ARG  38           HB2      ARG  38  -7.049   5.866  -3.411
  306    HB3  ARG  38           HB1      ARG  38  -6.918   7.195  -4.551
  307    HG2  ARG  38           HG2      ARG  38  -4.907   6.117  -5.501
  308    HG3  ARG  38           HG1      ARG  38  -5.173   4.756  -4.412
  309    HD2  ARG  38           HD2      ARG  38  -7.038   5.743  -6.555
  310    HD3  ARG  38           HD1      ARG  38  -6.077   4.271  -6.594
  311    HE   ARG  38           HE       ARG  38  -8.169   4.707  -4.580
  312   HH11  ARG  38          HH11      ARG  38  -6.677   2.671  -7.058
  313   HH12  ARG  38          HH12      ARG  38  -7.797   1.406  -6.923
  314   HH21  ARG  38          HH21      ARG  38  -9.760   2.952  -4.400
  315   HH22  ARG  38          HH22      ARG  38  -9.599   1.574  -5.386
  316    H    GLU  39           H        GLU  39  -6.598   6.682  -0.844
  317    HA   GLU  39           HA       GLU  39  -8.261   8.936  -0.607
  318    HB2  GLU  39           HB2      GLU  39  -7.157   7.199   1.599
  319    HB3  GLU  39           HB1      GLU  39  -8.510   8.306   1.763
  320    HG2  GLU  39           HG2      GLU  39  -8.417   5.835   0.045
  321    HG3  GLU  39           HG1      GLU  39  -9.283   6.019   1.566
  322    H    ARG  40           H        ARG  40  -5.015   8.274   0.528
  323    HA   ARG  40           HA       ARG  40  -4.683  10.614   2.050
  324    HB2  ARG  40           HB2      ARG  40  -3.150   8.686   2.197
  325    HB3  ARG  40           HB1      ARG  40  -2.564   9.042   0.575
  326    HG2  ARG  40           HG2      ARG  40  -1.852  11.285   1.399
  327    HG3  ARG  40           HG1      ARG  40  -2.285  10.759   3.023
  328    HD2  ARG  40           HD2      ARG  40  -0.229   9.471   1.244
  329    HD3  ARG  40           HD1      ARG  40   0.086  10.558   2.595
  330    HE   ARG  40           HE       ARG  40  -1.455   8.331   3.411
  331   HH11  ARG  40          HH11      ARG  40   1.860   9.322   2.618
  332   HH12  ARG  40          HH12      ARG  40   2.574   8.046   3.503
  333   HH21  ARG  40          HH21      ARG  40  -0.436   6.687   4.699
  334   HH22  ARG  40          HH22      ARG  40   1.279   6.570   4.696
  335    H    GLU  41           H        GLU  41  -4.200   9.944  -1.379
  336    HA   GLU  41           HA       GLU  41  -3.095  12.568  -1.782
  337    HB2  GLU  41           HB2      GLU  41  -3.928  10.531  -3.843
  338    HB3  GLU  41           HB1      GLU  41  -3.025  12.006  -4.169
  339    HG2  GLU  41           HG2      GLU  41  -1.269  11.137  -2.581
  340    HG3  GLU  41           HG1      GLU  41  -2.132   9.603  -2.607
  341    H    GLY  42           H        GLY  42  -6.200  11.053  -2.227
  342    HA2  GLY  42           HA2      GLY  42  -7.298  13.250  -3.689
  343    HA3  GLY  42           HA1      GLY  42  -8.173  11.874  -3.042
  344    H    ARG  43           H        ARG  43  -7.535  12.198  -0.295
  345    HA   ARG  43           HA       ARG  43  -9.400  14.369   0.197
  346    HB2  ARG  43           HB2      ARG  43  -8.353  12.320   2.149
  347    HB3  ARG  43           HB1      ARG  43  -9.678  13.441   2.433
  348    HG2  ARG  43           HG2      ARG  43 -10.921  12.359   0.576
  349    HG3  ARG  43           HG1      ARG  43  -9.616  11.179   0.449
  350    HD2  ARG  43           HD2      ARG  43 -10.009  10.611   2.850
  351    HD3  ARG  43           HD1      ARG  43 -11.430  11.654   2.808
  352    HE   ARG  43           HE       ARG  43 -11.080   9.211   1.186
  353   HH11  ARG  43          HH11      ARG  43 -13.300  11.489   2.778
  354   HH12  ARG  43          HH12      ARG  43 -14.657  10.516   2.503
  355   HH21  ARG  43          HH21      ARG  43 -12.824   7.970   0.869
  356   HH22  ARG  43          HH22      ARG  43 -14.409   8.388   1.412
  357    H    ARG  44           H        ARG  44  -6.122  14.214   0.097
  358    HA   ARG  44           HA       ARG  44  -5.856  16.366   2.093
  359    HB2  ARG  44           HB2      ARG  44  -3.748  14.353   1.281
  360    HB3  ARG  44           HB1      ARG  44  -3.510  15.691   2.389
  361    HG2  ARG  44           HG2      ARG  44  -5.040  14.669   3.972
  362    HG3  ARG  44           HG1      ARG  44  -5.345  13.344   2.845
  363    HD2  ARG  44           HD2      ARG  44  -2.954  12.757   2.921
  364    HD3  ARG  44           HD1      ARG  44  -2.677  14.036   4.092
  365    HE   ARG  44           HE       ARG  44  -4.706  12.281   4.975
  366   HH11  ARG  44          HH11      ARG  44  -1.162  12.552   4.751
  367   HH12  ARG  44          HH12      ARG  44  -0.835  11.437   5.974
  368   HH21  ARG  44          HH21      ARG  44  -4.260  10.744   6.709
  369   HH22  ARG  44          HH22      ARG  44  -2.647  10.359   7.112
  370    H    GLU  45           H        GLU  45  -3.665  17.610   1.481
  371    HA   GLU  45           HA       GLU  45  -4.082  18.589  -1.173
  372    HB2  GLU  45           HB2      GLU  45  -1.907  19.232   0.829
  373    HB3  GLU  45           HB1      GLU  45  -2.137  20.059  -0.698
  374    HG2  GLU  45           HG2      GLU  45  -4.018  20.041   1.646
  375    HG3  GLU  45           HG1      GLU  45  -3.038  21.391   1.075
  376    H    VAL  46           H        VAL  46  -2.384  18.716  -2.754
  377    HA   VAL  46           HA       VAL  46  -1.152  16.195  -3.198
  378    HB   VAL  46           HB       VAL  46  -0.789  18.805  -4.699
  379   HG11  VAL  46          HG11      VAL  46  -0.093  17.393  -6.577
  380   HG12  VAL  46          HG12      VAL  46  -0.214  15.971  -5.544
  381   HG13  VAL  46          3HG1      VAL  46   0.982  17.219  -5.188
  382   HG21  VAL  46          HG21      VAL  46  -2.704  16.534  -5.213
  383   HG22  VAL  46          HG22      VAL  46  -2.457  17.919  -6.274
  384   HG23  VAL  46          HG23      VAL  46  -3.132  18.153  -4.661
  385    H    ASP  47           H        ASP  47   0.575  15.636  -2.067
  386    HA   ASP  47           HA       ASP  47   2.988  17.103  -2.118
  387    HB2  ASP  47           HB2      ASP  47   1.945  18.311  -0.256
  388    HB3  ASP  47           HB1      ASP  47   1.585  16.798   0.560
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1   4.078  17.401   2.327
    2    H3   PRO   1           HT2      PRO   1   4.847  18.822   2.418
    3    HA   PRO   1           HA       PRO   1   6.293  18.180   3.865
    4    HB2  PRO   1           HB2      PRO   1   5.060  15.808   4.969
    5    HB3  PRO   1           HB1      PRO   1   5.649  17.242   5.815
    6    HG2  PRO   1           HG2      PRO   1   2.923  16.598   4.981
    7    HG3  PRO   1           HG1      PRO   1   3.481  17.842   6.108
    8    HD2  PRO   1           HD2      PRO   1   2.432  18.430   3.655
    9    HD3  PRO   1           HD1      PRO   1   3.650  19.447   4.445
   10    H    ARG   2           H        ARG   2   7.275  15.705   4.236
   11    HA   ARG   2           HA       ARG   2   7.447  14.685   1.511
   12    HB2  ARG   2           HB2      ARG   2   9.185  14.108   3.915
   13    HB3  ARG   2           HB1      ARG   2   9.465  13.512   2.290
   14    HG2  ARG   2           HG2      ARG   2   9.692  15.893   1.549
   15    HG3  ARG   2           HG1      ARG   2   9.612  16.352   3.248
   16    HD2  ARG   2           HD2      ARG   2  11.919  16.196   2.569
   17    HD3  ARG   2           HD1      ARG   2  11.550  14.914   3.715
   18    HE   ARG   2           HE       ARG   2  11.627  14.488   0.804
   19   HH11  ARG   2          HH11      ARG   2  12.345  13.345   4.077
   20   HH12  ARG   2          HH12      ARG   2  13.308  12.036   3.572
   21   HH21  ARG   2          HH21      ARG   2  12.933  12.659   0.107
   22   HH22  ARG   2          HH22      ARG   2  13.656  11.624   1.256
   23    H    GLY   3           H        GLY   3   8.098  12.162   1.723
   24    HA2  GLY   3           HA2      GLY   3   7.436  10.155   2.973
   25    HA3  GLY   3           HA1      GLY   3   5.859  10.924   3.177
   26    H    SER   4           H        SER   4   7.604   8.814   1.290
   27    HA   SER   4           HA       SER   4   6.339   9.520  -1.181
   28    HB2  SER   4           HB2      SER   4   8.608   8.640  -1.292
   29    HB3  SER   4           HB1      SER   4   8.093   7.166  -0.477
   30    HG   SER   4           HG       SER   4   8.059   7.722  -3.057
   31    HA   PRO   5           HA       PRO   5   2.790   6.963  -0.385
   32    HB2  PRO   5           HB2      PRO   5   1.635   7.269  -2.820
   33    HB3  PRO   5           HB1      PRO   5   1.582   8.533  -1.588
   34    HG2  PRO   5           HG2      PRO   5   3.363   8.287  -3.977
   35    HG3  PRO   5           HG1      PRO   5   2.560   9.727  -3.324
   36    HD2  PRO   5           HD2      PRO   5   5.176   9.153  -2.897
   37    HD3  PRO   5           HD1      PRO   5   4.184  10.066  -1.740
   38    H    ARG   6           H        ARG   6   5.216   6.590  -2.777
   39    HA   ARG   6           HA       ARG   6   4.121   4.160  -3.841
   40    HB2  ARG   6           HB2      ARG   6   5.436   5.794  -5.214
   41    HB3  ARG   6           HB1      ARG   6   6.863   5.331  -4.308
   42    HG2  ARG   6           HG2      ARG   6   6.713   4.222  -6.514
   43    HG3  ARG   6           HG1      ARG   6   6.744   3.081  -5.169
   44    HD2  ARG   6           HD2      ARG   6   5.086   2.530  -6.960
   45    HD3  ARG   6           HD1      ARG   6   4.391   2.674  -5.351
   46    HE   ARG   6           HE       ARG   6   4.218   5.148  -6.626
   47   HH11  ARG   6          HH11      ARG   6   2.849   1.876  -7.094
   48   HH12  ARG   6          HH12      ARG   6   1.343   2.458  -7.642
   49   HH21  ARG   6          HH21      ARG   6   2.102   5.908  -7.376
   50   HH22  ARG   6          HH22      ARG   6   0.921   4.793  -7.832
   51    H    THR   7           H        THR   7   6.855   5.103  -1.750
   52    HA   THR   7           HA       THR   7   7.617   2.428  -1.277
   53    HB   THR   7           HB       THR   7   8.869   3.417   0.690
   54    HG1  THR   7           HG1      THR   7   7.550   5.156   1.127
   55   HG21  THR   7          HG21      THR   7   9.241   4.759  -1.987
   56   HG22  THR   7          HG22      THR   7   9.913   3.197  -1.517
   57   HG23  THR   7          HG23      THR   7  10.455   4.670  -0.710
   58    H    GLU   8           H        GLU   8   5.366   4.640   0.224
   59    HA   GLU   8           HA       GLU   8   4.691   3.321   2.576
   60    HB2  GLU   8           HB2      GLU   8   3.858   5.554   1.901
   61    HB3  GLU   8           HB1      GLU   8   2.903   4.805   0.636
   62    HG2  GLU   8           HG2      GLU   8   1.519   5.427   2.529
   63    HG3  GLU   8           HG1      GLU   8   1.542   3.679   2.310
   64    H    TYR   9           H        TYR   9   3.388   2.933  -0.724
   65    HA   TYR   9           HA       TYR   9   1.558   0.931  -0.105
   66    HB2  TYR   9           HB2      TYR   9   1.146   2.255  -1.952
   67    HB3  TYR   9           HB1      TYR   9   2.783   2.102  -2.580
   68    HD1  TYR   9           HD1      TYR   9   3.425   0.164  -3.670
   69    HD2  TYR   9           HD2      TYR   9  -0.499   0.686  -2.418
   70    HE1  TYR   9           HE1      TYR   9   2.772  -1.711  -5.172
   71    HE2  TYR   9           HE2      TYR   9  -1.275  -1.196  -3.878
   72    HH   TYR   9           HH       TYR   9  -0.405  -2.237  -5.989
   73    H    GLU  10           H        GLU  10   4.765   0.932  -1.611
   74    HA   GLU  10           HA       GLU  10   5.004  -1.755  -2.145
   75    HB2  GLU  10           HB2      GLU  10   6.498   0.000  -2.992
   76    HB3  GLU  10           HB1      GLU  10   7.193   0.178  -1.389
   77    HG2  GLU  10           HG2      GLU  10   8.060  -2.089  -1.502
   78    HG3  GLU  10           HG1      GLU  10   7.318  -2.300  -3.088
   79    H    ALA  11           H        ALA  11   6.113  -0.032   0.781
   80    HA   ALA  11           HA       ALA  11   7.110  -2.258   2.149
   81    HB1  ALA  11           HB1      ALA  11   7.517   0.066   2.856
   82    HB2  ALA  11           HB2      ALA  11   6.890  -0.913   4.182
   83    HB3  ALA  11           HB3      ALA  11   5.826   0.209   3.333
   84    H    CYS  12           H        CYS  12   3.898  -0.863   2.086
   85    HA   CYS  12           HA       CYS  12   2.640  -2.453   4.009
   86    HB2  CYS  12           HB2      CYS  12   1.659  -0.397   3.124
   87    HB3  CYS  12           HB1      CYS  12   1.559  -1.100   1.522
   88    H    ARG  13           H        ARG  13   2.997  -2.888   0.502
   89    HA   ARG  13           HA       ARG  13   1.498  -5.271   0.377
   90    HB2  ARG  13           HB2      ARG  13   1.600  -3.789  -1.504
   91    HB3  ARG  13           HB1      ARG  13   3.350  -3.896  -1.554
   92    HG2  ARG  13           HG2      ARG  13   3.234  -6.182  -2.220
   93    HG3  ARG  13           HG1      ARG  13   1.471  -6.172  -2.064
   94    HD2  ARG  13           HD2      ARG  13   1.271  -4.568  -3.848
   95    HD3  ARG  13           HD1      ARG  13   3.020  -4.378  -3.934
   96    HE   ARG  13           HE       ARG  13   2.696  -6.990  -4.370
   97   HH11  ARG  13          HH11      ARG  13   1.091  -4.185  -5.889
   98   HH12  ARG  13          HH12      ARG  13   1.012  -4.908  -7.420
   99   HH21  ARG  13          HH21      ARG  13   2.589  -7.937  -6.490
  100   HH22  ARG  13          HH22      ARG  13   1.882  -7.088  -7.784
  101    H    VAL  14           H        VAL  14   5.001  -4.591   0.267
  102    HA   VAL  14           HA       VAL  14   5.821  -7.247  -0.105
  103    HB   VAL  14           HB       VAL  14   7.357  -4.953   1.176
  104   HG11  VAL  14          HG11      VAL  14   8.400  -7.599   0.136
  105   HG12  VAL  14          HG12      VAL  14   8.341  -7.109   1.828
  106   HG13  VAL  14          3HG1      VAL  14   9.391  -6.253   0.699
  107   HG21  VAL  14          HG21      VAL  14   8.441  -4.772  -1.006
  108   HG22  VAL  14          HG22      VAL  14   6.697  -4.546  -1.139
  109   HG23  VAL  14          HG23      VAL  14   7.430  -6.077  -1.619
  110    H    ARG  15           H        ARG  15   5.360  -5.390   2.892
  111    HA   ARG  15           HA       ARG  15   6.271  -7.484   4.537
  112    HB2  ARG  15           HB2      ARG  15   4.491  -5.141   5.208
  113    HB3  ARG  15           HB1      ARG  15   5.103  -6.269   6.411
  114    HG2  ARG  15           HG2      ARG  15   7.396  -5.662   5.833
  115    HG3  ARG  15           HG1      ARG  15   6.797  -4.555   4.600
  116    HD2  ARG  15           HD2      ARG  15   5.630  -3.283   6.380
  117    HD3  ARG  15           HD1      ARG  15   6.360  -4.353   7.577
  118    HE   ARG  15           HE       ARG  15   8.476  -3.455   6.167
  119   HH11  ARG  15          HH11      ARG  15   5.910  -1.848   8.005
  120   HH12  ARG  15          HH12      ARG  15   6.805  -0.422   8.273
  121   HH21  ARG  15          HH21      ARG  15   9.713  -1.462   6.541
  122   HH22  ARG  15          HH22      ARG  15   8.990  -0.181   7.390
  123    H    CYS  16           H        CYS  16   3.054  -6.780   3.258
  124    HA   CYS  16           HA       CYS  16   1.836  -8.882   4.702
  125    HB2  CYS  16           HB2      CYS  16   1.035  -7.442   2.199
  126    HB3  CYS  16           HB1      CYS  16   0.141  -8.854   2.749
  127    H    GLN  17           H        GLN  17   3.585  -8.832   1.661
  128    HA   GLN  17           HA       GLN  17   2.889 -11.482   0.948
  129    HB2  GLN  17           HB2      GLN  17   3.785  -9.798  -0.639
  130    HB3  GLN  17           HB1      GLN  17   5.336  -9.879   0.178
  131    HG2  GLN  17           HG2      GLN  17   5.455 -11.165  -1.830
  132    HG3  GLN  17           HG1      GLN  17   5.495 -12.262  -0.457
  133   HE21  GLN  17          1HE2      GLN  17   4.817 -12.703  -3.214
  134   HE22  GLN  17          2HE2      GLN  17   3.225 -13.360  -3.249
  135    H    VAL  18           H        VAL  18   5.249 -10.112   3.066
  136    HA   VAL  18           HA       VAL  18   6.718 -12.559   3.449
  137    HB   VAL  18           HB       VAL  18   6.738 -10.028   5.130
  138   HG11  VAL  18          HG11      VAL  18   8.670 -12.338   5.077
  139   HG12  VAL  18          HG12      VAL  18   7.552 -11.951   6.384
  140   HG13  VAL  18          3HG1      VAL  18   8.877 -10.851   5.998
  141   HG21  VAL  18          HG21      VAL  18   8.825  -9.499   3.979
  142   HG22  VAL  18          HG22      VAL  18   7.480  -9.618   2.843
  143   HG23  VAL  18          HG23      VAL  18   8.641 -10.940   2.980
  144    H    ALA  19           H        ALA  19   4.332 -10.723   5.342
  145    HA   ALA  19           HA       ALA  19   4.370 -12.692   7.446
  146    HB1  ALA  19           HB1      ALA  19   4.217 -10.315   7.950
  147    HB2  ALA  19           HB2      ALA  19   2.864 -11.233   8.616
  148    HB3  ALA  19           HB3      ALA  19   2.639 -10.260   7.162
  149    H    GLU  20           H        GLU  20   2.005 -11.697   4.995
  150    HA   GLU  20           HA       GLU  20   0.018 -13.528   6.036
  151    HB2  GLU  20           HB2      GLU  20   0.065 -11.878   3.501
  152    HB3  GLU  20           HB1      GLU  20  -1.308 -12.805   4.084
  153    HG2  GLU  20           HG2      GLU  20  -0.038 -10.522   5.569
  154    HG3  GLU  20           HG1      GLU  20  -1.450 -10.373   4.525
  155    H    HIS  21           H        HIS  21   1.753 -13.116   3.014
  156    HA   HIS  21           HA       HIS  21   2.602 -14.487   1.471
  157    HB2  HIS  21           HB2      HIS  21   3.756 -15.426   3.548
  158    HB3  HIS  21           HB1      HIS  21   2.545 -16.698   3.536
  159    HD1  HIS  21           HD1      HIS  21   5.859 -15.968   2.341
  160    HD2  HIS  21           HD2      HIS  21   2.641 -18.211   0.979
  161    HE1  HIS  21           HE1      HIS  21   6.796 -17.566   0.643
  162    H    GLY  22           H        GLY  22   0.988 -14.522   0.066
  163    HA2  GLY  22           HA2      GLY  22  -0.123 -16.772  -0.912
  164    HA3  GLY  22           HA1      GLY  22  -1.265 -16.284   0.341
  165    H    VAL  23           H        VAL  23  -1.675 -16.358  -2.549
  166    HA   VAL  23           HA       VAL  23  -1.518 -13.688  -3.543
  167    HB   VAL  23           HB       VAL  23  -3.141 -16.022  -4.611
  168   HG11  VAL  23          HG11      VAL  23  -2.323 -13.444  -5.959
  169   HG12  VAL  23          HG12      VAL  23  -3.958 -13.883  -5.466
  170   HG13  VAL  23          3HG1      VAL  23  -3.145 -14.795  -6.739
  171   HG21  VAL  23          HG21      VAL  23  -0.752 -16.508  -4.532
  172   HG22  VAL  23          HG22      VAL  23  -0.420 -15.019  -5.416
  173   HG23  VAL  23          HG23      VAL  23  -1.313 -16.325  -6.194
  174    H    GLU  24           H        GLU  24  -4.068 -15.654  -2.071
  175    HA   GLU  24           HA       GLU  24  -6.170 -13.846  -2.634
  176    HB2  GLU  24           HB2      GLU  24  -6.362 -16.287  -2.023
  177    HB3  GLU  24           HB1      GLU  24  -5.984 -15.823  -0.369
  178    HG2  GLU  24           HG2      GLU  24  -8.299 -16.072  -0.531
  179    HG3  GLU  24           HG1      GLU  24  -7.951 -14.339  -0.417
  180    H    ARG  25           H        ARG  25  -3.960 -14.360   0.021
  181    HA   ARG  25           HA       ARG  25  -5.063 -12.341   1.698
  182    HB2  ARG  25           HB2      ARG  25  -2.338 -13.643   1.773
  183    HB3  ARG  25           HB1      ARG  25  -2.990 -12.575   3.011
  184    HG2  ARG  25           HG2      ARG  25  -4.775 -14.146   3.472
  185    HG3  ARG  25           HG1      ARG  25  -4.191 -15.212   2.196
  186    HD2  ARG  25           HD2      ARG  25  -2.076 -15.481   3.404
  187    HD3  ARG  25           HD1      ARG  25  -2.677 -14.422   4.679
  188    HE   ARG  25           HE       ARG  25  -4.560 -16.296   4.600
  189   HH11  ARG  25          HH11      ARG  25  -1.015 -16.568   4.789
  190   HH12  ARG  25          HH12      ARG  25  -1.072 -18.056   5.601
  191   HH21  ARG  25          HH21      ARG  25  -4.569 -18.360   5.711
  192   HH22  ARG  25          HH22      ARG  25  -3.086 -19.074   6.151
  193    H    GLN  26           H        GLN  26  -2.573 -12.419  -0.764
  194    HA   GLN  26           HA       GLN  26  -1.483  -9.870  -0.346
  195    HB2  GLN  26           HB2      GLN  26  -0.439 -11.514  -1.859
  196    HB3  GLN  26           HB1      GLN  26  -1.813 -11.385  -2.946
  197    HG2  GLN  26           HG2      GLN  26  -1.264  -9.009  -3.317
  198    HG3  GLN  26           HG1      GLN  26   0.152  -9.198  -2.289
  199   HE21  GLN  26          1HE2      GLN  26  -0.076  -8.462  -5.116
  200   HE22  GLN  26          2HE2      GLN  26   0.901  -9.628  -5.949
  201    H    ARG  27           H        ARG  27  -4.159 -10.996  -2.335
  202    HA   ARG  27           HA       ARG  27  -4.958  -8.639  -3.569
  203    HB2  ARG  27           HB2      ARG  27  -6.655 -10.899  -2.536
  204    HB3  ARG  27           HB1      ARG  27  -7.250  -9.649  -3.616
  205    HG2  ARG  27           HG2      ARG  27  -5.741 -10.379  -5.338
  206    HG3  ARG  27           HG1      ARG  27  -5.004 -11.554  -4.242
  207    HD2  ARG  27           HD2      ARG  27  -7.218 -12.662  -4.047
  208    HD3  ARG  27           HD1      ARG  27  -7.847 -11.529  -5.238
  209    HE   ARG  27           HE       ARG  27  -5.866 -12.496  -6.604
  210   HH11  ARG  27          HH11      ARG  27  -8.067 -14.329  -4.486
  211   HH12  ARG  27          HH12      ARG  27  -8.040 -15.720  -5.462
  212   HH21  ARG  27          HH21      ARG  27  -5.837 -14.458  -7.912
  213   HH22  ARG  27          HH22      ARG  27  -6.729 -15.815  -7.413
  214    H    ARG  28           H        ARG  28  -5.630  -9.758  -0.327
  215    HA   ARG  28           HA       ARG  28  -7.573  -7.810   0.384
  216    HB2  ARG  28           HB2      ARG  28  -5.613  -9.260   2.164
  217    HB3  ARG  28           HB1      ARG  28  -7.067  -8.431   2.699
  218    HG2  ARG  28           HG2      ARG  28  -8.446 -10.028   1.541
  219    HG3  ARG  28           HG1      ARG  28  -7.017 -10.808   0.862
  220    HD2  ARG  28           HD2      ARG  28  -6.269 -11.323   3.170
  221    HD3  ARG  28           HD1      ARG  28  -7.787 -10.656   3.769
  222    HE   ARG  28           HE       ARG  28  -8.605 -12.444   1.967
  223   HH11  ARG  28          HH11      ARG  28  -6.419 -12.722   4.758
  224   HH12  ARG  28          HH12      ARG  28  -6.767 -14.352   5.024
  225   HH21  ARG  28          HH21      ARG  28  -9.048 -14.698   2.361
  226   HH22  ARG  28          HH22      ARG  28  -8.287 -15.492   3.663
  227    H    CYS  29           H        CYS  29  -4.128  -8.068   1.264
  228    HA   CYS  29           HA       CYS  29  -3.931  -5.513   2.342
  229    HB2  CYS  29           HB2      CYS  29  -1.877  -7.398   1.252
  230    HB3  CYS  29           HB1      CYS  29  -1.450  -5.826   1.904
  231    H    GLN  30           H        GLN  30  -3.340  -6.665  -0.946
  232    HA   GLN  30           HA       GLN  30  -1.999  -4.463  -1.954
  233    HB2  GLN  30           HB2      GLN  30  -2.333  -6.728  -3.025
  234    HB3  GLN  30           HB1      GLN  30  -3.933  -6.186  -3.496
  235    HG2  GLN  30           HG2      GLN  30  -2.962  -4.429  -4.856
  236    HG3  GLN  30           HG1      GLN  30  -1.343  -4.899  -4.335
  237   HE21  GLN  30          1HE2      GLN  30  -4.047  -5.701  -6.342
  238   HE22  GLN  30          2HE2      GLN  30  -3.276  -6.956  -7.222
  239    H    GLN  31           H        GLN  31  -5.484  -5.045  -1.674
  240    HA   GLN  31           HA       GLN  31  -6.156  -2.645  -3.065
  241    HB2  GLN  31           HB2      GLN  31  -7.868  -4.404  -1.302
  242    HB3  GLN  31           HB1      GLN  31  -8.471  -3.084  -2.298
  243    HG2  GLN  31           HG2      GLN  31  -7.103  -5.576  -3.286
  244    HG3  GLN  31           HG1      GLN  31  -8.824  -5.221  -3.390
  245   HE21  GLN  31          1HE2      GLN  31  -6.817  -5.752  -5.474
  246   HE22  GLN  31          2HE2      GLN  31  -6.859  -4.391  -6.526
  247    H    VAL  32           H        VAL  32  -5.782  -3.533   0.305
  248    HA   VAL  32           HA       VAL  32  -6.703  -1.078   1.392
  249    HB   VAL  32           HB       VAL  32  -4.671  -3.012   2.570
  250   HG11  VAL  32          HG11      VAL  32  -5.300  -2.064   4.743
  251   HG12  VAL  32          HG12      VAL  32  -6.365  -0.917   3.933
  252   HG13  VAL  32          3HG1      VAL  32  -4.623  -0.832   3.677
  253   HG21  VAL  32          HG21      VAL  32  -6.545  -3.980   3.792
  254   HG22  VAL  32          HG22      VAL  32  -6.806  -4.098   2.051
  255   HG23  VAL  32          HG23      VAL  32  -7.652  -2.869   2.992
  256    H    CYS  33           H        CYS  33  -3.502  -2.276   0.533
  257    HA   CYS  33           HA       CYS  33  -2.034   0.005   1.255
  258    HB2  CYS  33           HB2      CYS  33  -1.351  -1.997  -0.918
  259    HB3  CYS  33           HB1      CYS  33  -0.226  -0.919  -0.108
  260    H    GLU  34           H        GLU  34  -3.555  -0.961  -1.835
  261    HA   GLU  34           HA       GLU  34  -2.700   1.212  -3.395
  262    HB2  GLU  34           HB2      GLU  34  -3.640  -0.835  -4.341
  263    HB3  GLU  34           HB1      GLU  34  -5.173  -0.520  -3.560
  264    HG2  GLU  34           HG2      GLU  34  -5.315  -0.049  -5.917
  265    HG3  GLU  34           HG1      GLU  34  -5.491   1.432  -4.986
  266    H    LYS  35           H        LYS  35  -5.540   0.749  -1.333
  267    HA   LYS  35           HA       LYS  35  -6.817   3.169  -1.966
  268    HB2  LYS  35           HB2      LYS  35  -7.886   1.257  -0.799
  269    HB3  LYS  35           HB1      LYS  35  -6.953   1.635   0.642
  270    HG2  LYS  35           HG2      LYS  35  -8.040   3.855   0.719
  271    HG3  LYS  35           HG1      LYS  35  -9.016   3.397  -0.668
  272    HD2  LYS  35           HD2      LYS  35  -9.032   1.982   1.999
  273    HD3  LYS  35           HD1      LYS  35 -10.185   3.211   1.525
  274    HE2  LYS  35           HE2      LYS  35 -11.268   1.109   1.213
  275    HE3  LYS  35           HE1      LYS  35 -10.864   1.696  -0.389
  276    HZ1  LYS  35           HZ1      LYS  35  -9.079   0.106  -0.528
  277    HZ2  LYS  35           HZ2      LYS  35 -10.439  -0.713   0.030
  278    HZ3  LYS  35           HZ3      LYS  35  -9.246  -0.304   1.101
  279    H    ARG  36           H        ARG  36  -4.526   2.311   0.584
  280    HA   ARG  36           HA       ARG  36  -4.498   4.938   1.694
  281    HB2  ARG  36           HB2      ARG  36  -2.567   2.666   2.087
  282    HB3  ARG  36           HB1      ARG  36  -2.531   4.175   2.989
  283    HG2  ARG  36           HG2      ARG  36  -4.872   3.669   3.713
  284    HG3  ARG  36           HG1      ARG  36  -4.657   2.064   3.012
  285    HD2  ARG  36           HD2      ARG  36  -4.156   1.992   5.380
  286    HD3  ARG  36           HD1      ARG  36  -2.693   1.725   4.430
  287    HE   ARG  36           HE       ARG  36  -3.038   4.464   5.082
  288   HH11  ARG  36          HH11      ARG  36  -1.956   1.382   6.412
  289   HH12  ARG  36          HH12      ARG  36  -0.891   2.071   7.556
  290   HH21  ARG  36          HH21      ARG  36  -1.553   5.437   6.683
  291   HH22  ARG  36          HH22      ARG  36  -0.665   4.404   7.708
  292    H    LEU  37           H        LEU  37  -2.674   3.321  -0.752
  293    HA   LEU  37           HA       LEU  37  -0.487   5.037  -1.112
  294    HB2  LEU  37           HB2      LEU  37  -1.176   2.824  -2.305
  295    HB3  LEU  37           HB1      LEU  37  -2.157   3.829  -3.327
  296    HG   LEU  37           HG       LEU  37   0.860   3.727  -3.191
  297   HD11  LEU  37          HD11      LEU  37  -1.101   3.111  -5.367
  298   HD12  LEU  37          HD12      LEU  37  -0.167   1.949  -4.421
  299   HD13  LEU  37          HD13      LEU  37   0.655   3.061  -5.515
  300   HD21  LEU  37          HD21      LEU  37   0.942   5.333  -4.942
  301   HD22  LEU  37          HD22      LEU  37   0.138   6.033  -3.517
  302   HD23  LEU  37          HD23      LEU  37  -0.818   5.503  -4.913
  303    H    ARG  38           H        ARG  38  -3.711   4.985  -2.442
  304    HA   ARG  38           HA       ARG  38  -3.644   7.310  -3.973
  305    HB2  ARG  38           HB2      ARG  38  -5.252   5.315  -3.975
  306    HB3  ARG  38           HB1      ARG  38  -6.087   6.137  -2.677
  307    HG2  ARG  38           HG2      ARG  38  -7.154   6.509  -4.826
  308    HG3  ARG  38           HG1      ARG  38  -6.541   8.020  -4.147
  309    HD2  ARG  38           HD2      ARG  38  -6.108   7.664  -6.608
  310    HD3  ARG  38           HD1      ARG  38  -4.683   8.040  -5.643
  311    HE   ARG  38           HE       ARG  38  -5.128   5.230  -5.897
  312   HH11  ARG  38          HH11      ARG  38  -3.992   7.944  -7.839
  313   HH12  ARG  38          HH12      ARG  38  -2.698   7.089  -8.542
  314   HH21  ARG  38          HH21      ARG  38  -3.340   4.026  -6.903
  315   HH22  ARG  38          HH22      ARG  38  -2.338   4.861  -8.019
  316    H    GLU  39           H        GLU  39  -4.567   6.723  -0.616
  317    HA   GLU  39           HA       GLU  39  -5.476   9.340  -0.000
  318    HB2  GLU  39           HB2      GLU  39  -4.281   7.231   1.793
  319    HB3  GLU  39           HB1      GLU  39  -5.017   8.703   2.377
  320    HG2  GLU  39           HG2      GLU  39  -7.154   7.951   1.331
  321    HG3  GLU  39           HG1      GLU  39  -6.355   6.421   0.953
  322    H    ARG  40           H        ARG  40  -2.370   7.719   0.376
  323    HA   ARG  40           HA       ARG  40  -1.063   9.823   1.703
  324    HB2  ARG  40           HB2      ARG  40  -0.395   7.409   1.717
  325    HB3  ARG  40           HB1      ARG  40   0.189   7.610   0.079
  326    HG2  ARG  40           HG2      ARG  40   2.021   7.674   1.671
  327    HG3  ARG  40           HG1      ARG  40   1.844   9.237   0.871
  328    HD2  ARG  40           HD2      ARG  40   0.786  10.182   2.797
  329    HD3  ARG  40           HD1      ARG  40   0.653   8.603   3.569
  330    HE   ARG  40           HE       ARG  40   3.263   8.785   3.269
  331   HH11  ARG  40          HH11      ARG  40   1.045  11.295   4.468
  332   HH12  ARG  40          HH12      ARG  40   2.132  11.901   5.606
  333   HH21  ARG  40          HH21      ARG  40   4.762   9.663   4.839
  334   HH22  ARG  40          HH22      ARG  40   4.302  10.989   5.795
  335    H    GLU  41           H        GLU  41  -1.263   8.959  -1.753
  336    HA   GLU  41           HA       GLU  41   0.413  11.201  -2.398
  337    HB2  GLU  41           HB2      GLU  41  -0.013  10.719  -4.766
  338    HB3  GLU  41           HB1      GLU  41   0.530   9.297  -3.906
  339    HG2  GLU  41           HG2      GLU  41  -1.628   8.340  -3.961
  340    HG3  GLU  41           HG1      GLU  41  -2.355   9.849  -4.521
  341    H    GLY  42           H        GLY  42  -2.874  10.728  -1.810
  342    HA2  GLY  42           HA2      GLY  42  -3.834  13.007  -3.238
  343    HA3  GLY  42           HA1      GLY  42  -4.670  12.171  -1.929
  344    H    ARG  43           H        ARG  43  -2.548  12.385  -0.100
  345    HA   ARG  43           HA       ARG  43  -2.995  15.068   0.834
  346    HB2  ARG  43           HB2      ARG  43  -1.845  12.620   2.122
  347    HB3  ARG  43           HB1      ARG  43  -1.699  14.205   2.874
  348    HG2  ARG  43           HG2      ARG  43  -4.103  14.430   2.949
  349    HG3  ARG  43           HG1      ARG  43  -4.294  12.896   2.100
  350    HD2  ARG  43           HD2      ARG  43  -2.832  13.098   4.719
  351    HD3  ARG  43           HD1      ARG  43  -4.577  12.899   4.646
  352    HE   ARG  43           HE       ARG  43  -4.141  10.863   3.354
  353   HH11  ARG  43          HH11      ARG  43  -1.507  12.042   5.425
  354   HH12  ARG  43          HH12      ARG  43  -1.015  10.511   5.955
  355   HH21  ARG  43          HH21      ARG  43  -3.432   8.683   4.096
  356   HH22  ARG  43          HH22      ARG  43  -2.131   8.545   5.167
  357    H    ARG  44           H        ARG  44  -0.740  13.839  -1.152
  358    HA   ARG  44           HA       ARG  44   1.256  15.786  -0.242
  359    HB2  ARG  44           HB2      ARG  44   2.138  13.486   0.005
  360    HB3  ARG  44           HB1      ARG  44   1.767  13.159  -1.682
  361    HG2  ARG  44           HG2      ARG  44   3.383  14.861  -2.367
  362    HG3  ARG  44           HG1      ARG  44   3.729  15.192  -0.670
  363    HD2  ARG  44           HD2      ARG  44   4.661  13.020  -0.367
  364    HD3  ARG  44           HD1      ARG  44   4.135  12.518  -1.977
  365    HE   ARG  44           HE       ARG  44   5.661  14.711  -2.415
  366   HH11  ARG  44          HH11      ARG  44   6.313  11.679  -0.715
  367   HH12  ARG  44          HH12      ARG  44   7.935  11.586  -1.256
  368   HH21  ARG  44          HH21      ARG  44   7.858  14.561  -3.128
  369   HH22  ARG  44          HH22      ARG  44   8.829  13.244  -2.670
  370    H    GLU  45           H        GLU  45   2.324  16.967  -1.957
  371    HA   GLU  45           HA       GLU  45   0.563  17.368  -4.194
  372    HB2  GLU  45           HB2      GLU  45   3.114  18.774  -3.394
  373    HB3  GLU  45           HB1      GLU  45   2.122  19.211  -4.774
  374    HG2  GLU  45           HG2      GLU  45   1.270  19.286  -1.889
  375    HG3  GLU  45           HG1      GLU  45   1.696  20.676  -2.887
  376    H    VAL  46           H        VAL  46   0.725  15.752  -5.619
  377    HA   VAL  46           HA       VAL  46   3.332  14.916  -6.602
  378    HB   VAL  46           HB       VAL  46   0.555  14.162  -7.604
  379   HG11  VAL  46          HG11      VAL  46   3.219  12.835  -8.087
  380   HG12  VAL  46          HG12      VAL  46   2.312  13.790  -9.260
  381   HG13  VAL  46          3HG1      VAL  46   1.661  12.261  -8.671
  382   HG21  VAL  46          HG21      VAL  46   2.353  12.673  -5.686
  383   HG22  VAL  46          HG22      VAL  46   0.835  12.068  -6.350
  384   HG23  VAL  46          HG23      VAL  46   0.832  13.470  -5.280
  385    H    ASP  47           H        ASP  47   0.485  16.709  -7.555
  386    HA   ASP  47           HA       ASP  47   2.016  18.352  -9.326
  387    HB2  ASP  47           HB2      ASP  47   1.266  16.561 -10.858
  388    HB3  ASP  47           HB1      ASP  47  -0.396  16.815 -10.333
  Start of MODEL   11
    1    H2   PRO   1           HT1      PRO   1   8.847  15.949   7.497
    2    H3   PRO   1           HT2      PRO   1  10.225  15.976   8.356
    3    HA   PRO   1           HA       PRO   1  10.605  14.033   7.849
    4    HB2  PRO   1           HB2      PRO   1   8.089  12.727   8.524
    5    HB3  PRO   1           HB1      PRO   1   9.688  12.491   9.235
    6    HG2  PRO   1           HG2      PRO   1   7.657  13.776  10.536
    7    HG3  PRO   1           HG1      PRO   1   9.374  14.080  10.839
    8    HD2  PRO   1           HD2      PRO   1   7.406  15.714   9.290
    9    HD3  PRO   1           HD1      PRO   1   8.783  16.242  10.269
   10    H    ARG   2           H        ARG   2   9.552  12.117   6.421
   11    HA   ARG   2           HA       ARG   2   8.371  13.613   4.218
   12    HB2  ARG   2           HB2      ARG   2  10.495  12.343   3.837
   13    HB3  ARG   2           HB1      ARG   2   9.597  10.857   4.122
   14    HG2  ARG   2           HG2      ARG   2   8.120  11.403   2.249
   15    HG3  ARG   2           HG1      ARG   2   9.053  12.872   1.974
   16    HD2  ARG   2           HD2      ARG   2  11.050  11.481   1.561
   17    HD3  ARG   2           HD1      ARG   2  10.044  10.038   1.740
   18    HE   ARG   2           HE       ARG   2   9.237  12.032  -0.200
   19   HH11  ARG   2          HH11      ARG   2  10.711   8.856   0.345
   20   HH12  ARG   2          HH12      ARG   2  10.488   8.326  -1.259
   21   HH21  ARG   2          HH21      ARG   2   8.960  11.303  -2.398
   22   HH22  ARG   2          HH22      ARG   2   9.497   9.764  -2.871
   23    H    GLY   3           H        GLY   3   6.300  13.459   3.897
   24    HA2  GLY   3           HA2      GLY   3   4.820  11.195   4.977
   25    HA3  GLY   3           HA1      GLY   3   4.134  12.705   4.382
   26    H    SER   4           H        SER   4   6.060   9.980   3.210
   27    HA   SER   4           HA       SER   4   4.963  10.282   0.565
   28    HB2  SER   4           HB2      SER   4   6.622   8.334   0.207
   29    HB3  SER   4           HB1      SER   4   7.294   9.921   0.611
   30    HG   SER   4           HG       SER   4   7.034   7.602   2.149
   31    HA   PRO   5           HA       PRO   5   1.915   7.185   1.865
   32    HB2  PRO   5           HB2      PRO   5   0.382   7.247  -0.377
   33    HB3  PRO   5           HB1      PRO   5   0.277   8.476   0.883
   34    HG2  PRO   5           HG2      PRO   5   1.710   8.582  -1.738
   35    HG3  PRO   5           HG1      PRO   5   0.753   9.838  -0.935
   36    HD2  PRO   5           HD2      PRO   5   3.471   9.784  -0.895
   37    HD3  PRO   5           HD1      PRO   5   2.502  10.476   0.419
   38    H    ARG   6           H        ARG   6   3.868   7.197  -1.003
   39    HA   ARG   6           HA       ARG   6   3.126   4.660  -2.010
   40    HB2  ARG   6           HB2      ARG   6   5.707   6.156  -2.403
   41    HB3  ARG   6           HB1      ARG   6   5.227   4.724  -3.292
   42    HG2  ARG   6           HG2      ARG   6   3.339   5.917  -4.233
   43    HG3  ARG   6           HG1      ARG   6   3.782   7.366  -3.324
   44    HD2  ARG   6           HD2      ARG   6   5.977   7.326  -4.460
   45    HD3  ARG   6           HD1      ARG   6   5.414   5.972  -5.432
   46    HE   ARG   6           HE       ARG   6   3.602   8.089  -5.625
   47   HH11  ARG   6          HH11      ARG   6   6.861   7.224  -6.690
   48   HH12  ARG   6          HH12      ARG   6   6.791   8.165  -8.111
   49   HH21  ARG   6          HH21      ARG   6   3.518   9.358  -7.579
   50   HH22  ARG   6          HH22      ARG   6   4.843   9.360  -8.652
   51    H    THR   7           H        THR   7   5.693   5.672   0.208
   52    HA   THR   7           HA       THR   7   6.958   3.177   0.221
   53    HB   THR   7           HB       THR   7   8.057   4.106   2.329
   54    HG1  THR   7           HG1      THR   7   7.000   5.723   3.160
   55   HG21  THR   7          HG21      THR   7   9.323   5.786   1.044
   56   HG22  THR   7          HG22      THR   7   8.064   5.753  -0.197
   57   HG23  THR   7          HG23      THR   7   9.043   4.318   0.102
   58    H    GLU   8           H        GLU   8   4.399   4.535   2.157
   59    HA   GLU   8           HA       GLU   8   4.282   2.547   4.181
   60    HB2  GLU   8           HB2      GLU   8   2.082   4.283   3.059
   61    HB3  GLU   8           HB1      GLU   8   2.016   3.398   4.575
   62    HG2  GLU   8           HG2      GLU   8   3.922   5.605   3.910
   63    HG3  GLU   8           HG1      GLU   8   2.467   5.773   4.886
   64    H    TYR   9           H        TYR   9   2.586   3.043   1.166
   65    HA   TYR   9           HA       TYR   9   1.012   0.714   1.297
   66    HB2  TYR   9           HB2      TYR   9   0.011   2.141  -0.137
   67    HB3  TYR   9           HB1      TYR   9   1.525   2.909  -0.573
   68    HD1  TYR   9           HD1      TYR   9  -0.584  -0.084  -1.263
   69    HD2  TYR   9           HD2      TYR   9   2.504   2.497  -2.588
   70    HE1  TYR   9           HE1      TYR   9  -0.642  -1.149  -3.482
   71    HE2  TYR   9           HE2      TYR   9   2.447   1.494  -4.778
   72    HH   TYR   9           HH       TYR   9  -0.045  -0.515  -5.821
   73    H    GLU  10           H        GLU  10   4.092   1.450  -0.200
   74    HA   GLU  10           HA       GLU  10   4.575  -0.942  -1.560
   75    HB2  GLU  10           HB2      GLU  10   5.892   1.160  -1.729
   76    HB3  GLU  10           HB1      GLU  10   6.534   0.847  -0.127
   77    HG2  GLU  10           HG2      GLU  10   7.472  -1.286  -1.027
   78    HG3  GLU  10           HG1      GLU  10   6.967  -0.719  -2.625
   79    H    ALA  11           H        ALA  11   5.315   0.104   1.741
   80    HA   ALA  11           HA       ALA  11   6.612  -2.170   2.683
   81    HB1  ALA  11           HB1      ALA  11   6.555  -0.034   3.875
   82    HB2  ALA  11           HB2      ALA  11   6.038  -1.366   4.914
   83    HB3  ALA  11           HB3      ALA  11   4.843  -0.269   4.220
   84    H    CYS  12           H        CYS  12   3.226  -1.273   2.664
   85    HA   CYS  12           HA       CYS  12   2.146  -3.445   4.012
   86    HB2  CYS  12           HB2      CYS  12   0.854  -1.453   3.475
   87    HB3  CYS  12           HB1      CYS  12   0.977  -1.806   1.759
   88    H    ARG  13           H        ARG  13   3.054  -3.128   0.616
   89    HA   ARG  13           HA       ARG  13   1.878  -5.580  -0.238
   90    HB2  ARG  13           HB2      ARG  13   4.171  -4.074  -1.505
   91    HB3  ARG  13           HB1      ARG  13   3.225  -5.336  -2.274
   92    HG2  ARG  13           HG2      ARG  13   1.231  -3.875  -2.114
   93    HG3  ARG  13           HG1      ARG  13   2.254  -2.610  -1.435
   94    HD2  ARG  13           HD2      ARG  13   2.470  -3.841  -4.187
   95    HD3  ARG  13           HD1      ARG  13   1.951  -2.205  -3.799
   96    HE   ARG  13           HE       ARG  13   4.618  -2.934  -2.933
   97   HH11  ARG  13          HH11      ARG  13   2.689  -1.317  -5.486
   98   HH12  ARG  13          HH12      ARG  13   4.030  -0.580  -6.192
   99   HH21  ARG  13          HH21      ARG  13   6.448  -1.871  -3.937
  100   HH22  ARG  13          HH22      ARG  13   6.181  -0.855  -5.282
  101    H    VAL  14           H        VAL  14   5.257  -4.671   0.441
  102    HA   VAL  14           HA       VAL  14   6.275  -7.276   0.067
  103    HB   VAL  14           HB       VAL  14   7.637  -5.229  -0.077
  104   HG11  VAL  14          HG11      VAL  14   8.607  -4.167   1.898
  105   HG12  VAL  14          HG12      VAL  14   7.516  -5.122   2.907
  106   HG13  VAL  14          3HG1      VAL  14   6.860  -3.955   1.759
  107   HG21  VAL  14          HG21      VAL  14   8.788  -7.332   0.089
  108   HG22  VAL  14          HG22      VAL  14   8.701  -7.279   1.850
  109   HG23  VAL  14          HG23      VAL  14   9.691  -6.106   0.980
  110    H    ARG  15           H        ARG  15   5.221  -5.596   2.880
  111    HA   ARG  15           HA       ARG  15   5.938  -7.506   4.827
  112    HB2  ARG  15           HB2      ARG  15   5.255  -5.245   5.432
  113    HB3  ARG  15           HB1      ARG  15   3.635  -5.561   4.845
  114    HG2  ARG  15           HG2      ARG  15   3.235  -7.113   6.627
  115    HG3  ARG  15           HG1      ARG  15   4.915  -7.001   7.158
  116    HD2  ARG  15           HD2      ARG  15   2.958  -4.708   7.087
  117    HD3  ARG  15           HD1      ARG  15   3.400  -5.617   8.535
  118    HE   ARG  15           HE       ARG  15   5.787  -4.825   7.664
  119   HH11  ARG  15          HH11      ARG  15   2.826  -2.914   8.005
  120   HH12  ARG  15          HH12      ARG  15   3.635  -1.487   8.465
  121   HH21  ARG  15          HH21      ARG  15   6.888  -2.882   8.275
  122   HH22  ARG  15          HH22      ARG  15   6.021  -1.469   8.617
  123    H    CYS  16           H        CYS  16   2.965  -7.199   2.925
  124    HA   CYS  16           HA       CYS  16   1.919  -9.516   4.170
  125    HB2  CYS  16           HB2      CYS  16   0.927  -7.921   1.819
  126    HB3  CYS  16           HB1      CYS  16   0.085  -9.329   2.471
  127    H    GLN  17           H        GLN  17   4.052  -9.083   1.547
  128    HA   GLN  17           HA       GLN  17   3.581 -11.610   0.327
  129    HB2  GLN  17           HB2      GLN  17   4.856  -9.944  -0.892
  130    HB3  GLN  17           HB1      GLN  17   6.035  -9.830   0.402
  131    HG2  GLN  17           HG2      GLN  17   6.926 -11.063  -1.501
  132    HG3  GLN  17           HG1      GLN  17   6.816 -12.082  -0.072
  133   HE21  GLN  17          1HE2      GLN  17   4.066 -11.260  -2.119
  134   HE22  GLN  17          2HE2      GLN  17   3.849 -12.846  -2.745
  135    H    VAL  18           H        VAL  18   5.474 -10.495   3.018
  136    HA   VAL  18           HA       VAL  18   6.651 -13.095   3.456
  137    HB   VAL  18           HB       VAL  18   6.843 -10.585   5.136
  138   HG11  VAL  18          HG11      VAL  18   8.784 -11.663   6.170
  139   HG12  VAL  18          HG12      VAL  18   8.464 -13.130   5.244
  140   HG13  VAL  18          3HG1      VAL  18   7.305 -12.578   6.455
  141   HG21  VAL  18          HG21      VAL  18   7.792 -10.262   2.928
  142   HG22  VAL  18          HG22      VAL  18   8.730 -11.746   3.092
  143   HG23  VAL  18          HG23      VAL  18   9.080 -10.366   4.131
  144    H    ALA  19           H        ALA  19   4.490 -10.948   5.320
  145    HA   ALA  19           HA       ALA  19   4.085 -12.884   7.361
  146    HB1  ALA  19           HB1      ALA  19   3.998 -10.468   7.780
  147    HB2  ALA  19           HB2      ALA  19   2.544 -11.301   8.328
  148    HB3  ALA  19           HB3      ALA  19   2.514 -10.372   6.828
  149    H    GLU  20           H        GLU  20   2.132 -11.878   4.591
  150    HA   GLU  20           HA       GLU  20   0.011 -13.685   5.441
  151    HB2  GLU  20           HB2      GLU  20   0.168 -11.886   3.015
  152    HB3  GLU  20           HB1      GLU  20  -1.240 -12.796   3.532
  153    HG2  GLU  20           HG2      GLU  20   0.060 -10.552   5.067
  154    HG3  GLU  20           HG1      GLU  20  -1.403 -10.422   4.094
  155    H    HIS  21           H        HIS  21   1.988 -13.091   2.577
  156    HA   HIS  21           HA       HIS  21   2.968 -14.359   1.043
  157    HB2  HIS  21           HB2      HIS  21   3.795 -15.833   2.848
  158    HB3  HIS  21           HB1      HIS  21   2.303 -16.759   2.784
  159    HD1  HIS  21           HD1      HIS  21   5.427 -16.093   0.717
  160    HD2  HIS  21           HD2      HIS  21   2.253 -18.763   0.914
  161    HE1  HIS  21           HE1      HIS  21   5.970 -17.933  -0.902
  162    H    GLY  22           H        GLY  22  -0.032 -15.798   2.109
  163    HA2  GLY  22           HA2      GLY  22  -0.846 -17.014  -0.265
  164    HA3  GLY  22           HA1      GLY  22  -1.925 -16.400   0.980
  165    H    VAL  23           H        VAL  23  -1.800 -16.384  -2.043
  166    HA   VAL  23           HA       VAL  23  -1.318 -13.854  -3.066
  167    HB   VAL  23           HB       VAL  23  -3.351 -15.857  -4.079
  168   HG11  VAL  23          HG11      VAL  23  -1.899 -13.646  -5.526
  169   HG12  VAL  23          HG12      VAL  23  -3.613 -13.672  -5.114
  170   HG13  VAL  23          3HG1      VAL  23  -2.966 -14.835  -6.272
  171   HG21  VAL  23          HG21      VAL  23  -1.171 -16.902  -3.817
  172   HG22  VAL  23          HG22      VAL  23  -0.414 -15.590  -4.721
  173   HG23  VAL  23          HG23      VAL  23  -1.541 -16.680  -5.527
  174    H    GLU  24           H        GLU  24  -4.359 -15.222  -1.857
  175    HA   GLU  24           HA       GLU  24  -5.984 -13.016  -2.491
  176    HB2  GLU  24           HB2      GLU  24  -6.719 -15.360  -1.987
  177    HB3  GLU  24           HB1      GLU  24  -6.382 -15.034  -0.295
  178    HG2  GLU  24           HG2      GLU  24  -8.693 -14.765  -0.625
  179    HG3  GLU  24           HG1      GLU  24  -7.984 -13.161  -0.404
  180    H    ARG  25           H        ARG  25  -4.217 -13.944   0.435
  181    HA   ARG  25           HA       ARG  25  -5.235 -11.812   2.025
  182    HB2  ARG  25           HB2      ARG  25  -2.818 -13.577   2.401
  183    HB3  ARG  25           HB1      ARG  25  -3.374 -12.410   3.598
  184    HG2  ARG  25           HG2      ARG  25  -5.010 -14.706   2.558
  185    HG3  ARG  25           HG1      ARG  25  -4.089 -14.738   4.066
  186    HD2  ARG  25           HD2      ARG  25  -5.456 -12.987   4.969
  187    HD3  ARG  25           HD1      ARG  25  -6.270 -12.748   3.425
  188    HE   ARG  25           HE       ARG  25  -6.516 -15.411   4.358
  189   HH11  ARG  25          HH11      ARG  25  -7.814 -12.161   4.942
  190   HH12  ARG  25          HH12      ARG  25  -9.384 -12.727   5.318
  191   HH21  ARG  25          HH21      ARG  25  -8.668 -16.145   4.875
  192   HH22  ARG  25          HH22      ARG  25  -9.890 -15.013   5.265
  193    H    GLN  26           H        GLN  26  -2.334 -12.222   0.092
  194    HA   GLN  26           HA       GLN  26  -1.199  -9.728   0.780
  195    HB2  GLN  26           HB2      GLN  26   0.046 -11.583  -0.330
  196    HB3  GLN  26           HB1      GLN  26  -0.880 -11.281  -1.794
  197    HG2  GLN  26           HG2      GLN  26   0.054  -9.004  -1.886
  198    HG3  GLN  26           HG1      GLN  26   1.019  -9.362  -0.458
  199   HE21  GLN  26          1HE2      GLN  26   0.384 -11.596  -3.078
  200   HE22  GLN  26          2HE2      GLN  26   2.001 -11.700  -3.646
  201    H    ARG  27           H        ARG  27  -3.393 -10.797  -1.767
  202    HA   ARG  27           HA       ARG  27  -3.691  -8.446  -3.228
  203    HB2  ARG  27           HB2      ARG  27  -4.578 -10.603  -3.953
  204    HB3  ARG  27           HB1      ARG  27  -5.711 -10.603  -2.618
  205    HG2  ARG  27           HG2      ARG  27  -6.858  -8.674  -3.584
  206    HG3  ARG  27           HG1      ARG  27  -5.713  -8.665  -4.927
  207    HD2  ARG  27           HD2      ARG  27  -7.564 -10.933  -4.202
  208    HD3  ARG  27           HD1      ARG  27  -7.806  -9.796  -5.526
  209    HE   ARG  27           HE       ARG  27  -5.588 -10.680  -6.352
  210   HH11  ARG  27          HH11      ARG  27  -7.782 -12.745  -4.445
  211   HH12  ARG  27          HH12      ARG  27  -7.363 -14.155  -5.314
  212   HH21  ARG  27          HH21      ARG  27  -5.038 -12.641  -7.465
  213   HH22  ARG  27          HH22      ARG  27  -5.800 -14.114  -7.015
  214    H    ARG  28           H        ARG  28  -5.259  -9.534  -0.295
  215    HA   ARG  28           HA       ARG  28  -7.163  -7.516   0.033
  216    HB2  ARG  28           HB2      ARG  28  -7.217  -9.489   1.412
  217    HB3  ARG  28           HB1      ARG  28  -5.605  -9.177   2.018
  218    HG2  ARG  28           HG2      ARG  28  -7.259  -8.714   3.710
  219    HG3  ARG  28           HG1      ARG  28  -6.433  -7.237   3.231
  220    HD2  ARG  28           HD2      ARG  28  -8.348  -6.632   1.827
  221    HD3  ARG  28           HD1      ARG  28  -9.179  -8.110   2.324
  222    HE   ARG  28           HE       ARG  28  -8.474  -6.865   4.640
  223   HH11  ARG  28          HH11      ARG  28 -10.497  -5.968   1.854
  224   HH12  ARG  28          HH12      ARG  28 -11.472  -4.910   2.759
  225   HH21  ARG  28          HH21      ARG  28  -9.811  -5.367   5.846
  226   HH22  ARG  28          HH22      ARG  28 -11.084  -4.561   5.051
  227    H    CYS  29           H        CYS  29  -3.817  -7.705   1.202
  228    HA   CYS  29           HA       CYS  29  -3.699  -5.152   2.359
  229    HB2  CYS  29           HB2      CYS  29  -1.505  -6.817   1.129
  230    HB3  CYS  29           HB1      CYS  29  -1.276  -5.450   2.209
  231    H    GLN  30           H        GLN  30  -2.787  -6.353  -0.841
  232    HA   GLN  30           HA       GLN  30  -1.774  -3.964  -1.897
  233    HB2  GLN  30           HB2      GLN  30  -2.964  -6.371  -3.259
  234    HB3  GLN  30           HB1      GLN  30  -2.159  -5.060  -4.107
  235    HG2  GLN  30           HG2      GLN  30  -0.076  -5.560  -3.065
  236    HG3  GLN  30           HG1      GLN  30  -0.841  -6.707  -1.967
  237   HE21  GLN  30          1HE2      GLN  30   1.346  -7.085  -3.896
  238   HE22  GLN  30          2HE2      GLN  30   0.818  -8.346  -4.936
  239    H    GLN  31           H        GLN  31  -5.037  -5.063  -1.545
  240    HA   GLN  31           HA       GLN  31  -6.090  -3.125  -3.390
  241    HB2  GLN  31           HB2      GLN  31  -7.206  -5.278  -3.113
  242    HB3  GLN  31           HB1      GLN  31  -7.444  -4.964  -1.407
  243    HG2  GLN  31           HG2      GLN  31  -9.492  -4.677  -2.721
  244    HG3  GLN  31           HG1      GLN  31  -9.005  -3.192  -1.910
  245   HE21  GLN  31          1HE2      GLN  31  -9.323  -4.814  -4.980
  246   HE22  GLN  31          2HE2      GLN  31  -9.132  -3.396  -5.937
  247    H    VAL  32           H        VAL  32  -6.271  -3.576   0.145
  248    HA   VAL  32           HA       VAL  32  -7.662  -1.136   0.547
  249    HB   VAL  32           HB       VAL  32  -6.148  -2.765   2.605
  250   HG11  VAL  32          HG11      VAL  32  -8.343  -0.716   2.956
  251   HG12  VAL  32          HG12      VAL  32  -6.649  -0.501   3.395
  252   HG13  VAL  32          3HG1      VAL  32  -7.635  -1.694   4.243
  253   HG21  VAL  32          HG21      VAL  32  -8.328  -3.761   3.115
  254   HG22  VAL  32          HG22      VAL  32  -7.826  -4.093   1.456
  255   HG23  VAL  32          HG23      VAL  32  -9.044  -2.859   1.780
  256    H    CYS  33           H        CYS  33  -4.225  -1.969   0.863
  257    HA   CYS  33           HA       CYS  33  -3.548   0.582   1.902
  258    HB2  CYS  33           HB2      CYS  33  -1.778  -1.520   0.631
  259    HB3  CYS  33           HB1      CYS  33  -1.195  -0.097   1.494
  260    H    GLU  34           H        GLU  34  -3.951  -0.658  -1.339
  261    HA   GLU  34           HA       GLU  34  -2.580   1.586  -2.489
  262    HB2  GLU  34           HB2      GLU  34  -2.576  -0.640  -3.584
  263    HB3  GLU  34           HB1      GLU  34  -4.299  -0.494  -3.842
  264    HG2  GLU  34           HG2      GLU  34  -4.003   1.305  -5.369
  265    HG3  GLU  34           HG1      GLU  34  -2.293   1.440  -4.959
  266    H    LYS  35           H        LYS  35  -5.825   0.707  -1.639
  267    HA   LYS  35           HA       LYS  35  -7.189   2.722  -3.029
  268    HB2  LYS  35           HB2      LYS  35  -8.393   0.925  -1.913
  269    HB3  LYS  35           HB1      LYS  35  -7.801   1.454  -0.346
  270    HG2  LYS  35           HG2      LYS  35  -9.060   3.536  -0.562
  271    HG3  LYS  35           HG1      LYS  35  -9.647   3.019  -2.140
  272    HD2  LYS  35           HD2      LYS  35 -10.143   1.514   0.425
  273    HD3  LYS  35           HD1      LYS  35 -11.262   2.692  -0.256
  274    HE2  LYS  35           HE2      LYS  35 -10.344   0.133  -1.585
  275    HE3  LYS  35           HE1      LYS  35 -11.909   0.410  -0.829
  276    HZ1  LYS  35           HZ1      LYS  35 -12.342   2.152  -2.473
  277    HZ2  LYS  35           HZ2      LYS  35 -12.045   0.670  -3.215
  278    HZ3  LYS  35           HZ3      LYS  35 -10.859   1.830  -3.211
  279    H    ARG  36           H        ARG  36  -5.642   2.693   0.125
  280    HA   ARG  36           HA       ARG  36  -6.217   5.401   0.706
  281    HB2  ARG  36           HB2      ARG  36  -4.363   3.392   1.933
  282    HB3  ARG  36           HB1      ARG  36  -4.386   5.068   2.477
  283    HG2  ARG  36           HG2      ARG  36  -6.716   4.900   3.064
  284    HG3  ARG  36           HG1      ARG  36  -6.799   3.276   2.386
  285    HD2  ARG  36           HD2      ARG  36  -4.954   4.003   4.643
  286    HD3  ARG  36           HD1      ARG  36  -6.609   3.465   4.905
  287    HE   ARG  36           HE       ARG  36  -6.018   1.419   3.769
  288   HH11  ARG  36          HH11      ARG  36  -3.271   3.332   4.952
  289   HH12  ARG  36          HH12      ARG  36  -2.329   1.957   5.345
  290   HH21  ARG  36          HH21      ARG  36  -4.682  -0.456   4.351
  291   HH22  ARG  36          HH22      ARG  36  -3.136  -0.187   4.978
  292    H    LEU  37           H        LEU  37  -3.534   3.794  -0.839
  293    HA   LEU  37           HA       LEU  37  -1.751   5.939  -1.124
  294    HB2  LEU  37           HB2      LEU  37  -1.236   3.626  -1.803
  295    HB3  LEU  37           HB1      LEU  37  -2.443   3.727  -3.066
  296    HG   LEU  37           HG       LEU  37  -1.024   5.610  -4.043
  297   HD11  LEU  37          HD11      LEU  37   1.332   5.581  -3.503
  298   HD12  LEU  37          HD12      LEU  37   0.990   4.506  -2.143
  299   HD13  LEU  37          HD13      LEU  37   0.324   6.129  -2.169
  300   HD21  LEU  37          HD21      LEU  37   0.466   4.056  -5.165
  301   HD22  LEU  37          HD22      LEU  37  -1.187   3.447  -5.071
  302   HD23  LEU  37          HD23      LEU  37   0.052   2.815  -3.983
  303    H    ARG  38           H        ARG  38  -4.329   4.773  -3.214
  304    HA   ARG  38           HA       ARG  38  -4.218   6.565  -5.294
  305    HB2  ARG  38           HB2      ARG  38  -5.469   4.389  -5.119
  306    HB3  ARG  38           HB1      ARG  38  -6.704   5.245  -4.219
  307    HG2  ARG  38           HG2      ARG  38  -7.465   5.075  -6.452
  308    HG3  ARG  38           HG1      ARG  38  -6.948   6.750  -6.232
  309    HD2  ARG  38           HD2      ARG  38  -6.147   5.905  -8.356
  310    HD3  ARG  38           HD1      ARG  38  -4.785   6.198  -7.279
  311    HE   ARG  38           HE       ARG  38  -5.926   3.507  -7.530
  312   HH11  ARG  38          HH11      ARG  38  -3.073   5.628  -7.759
  313   HH12  ARG  38          HH12      ARG  38  -2.017   4.419  -8.270
  314   HH21  ARG  38          HH21      ARG  38  -4.484   1.824  -8.214
  315   HH22  ARG  38          HH22      ARG  38  -2.843   2.157  -8.530
  316    H    GLU  39           H        GLU  39  -6.142   6.771  -2.293
  317    HA   GLU  39           HA       GLU  39  -7.334   9.206  -3.167
  318    HB2  GLU  39           HB2      GLU  39  -8.313   9.353  -0.872
  319    HB3  GLU  39           HB1      GLU  39  -8.681   7.895  -1.780
  320    HG2  GLU  39           HG2      GLU  39  -7.113   6.645  -0.512
  321    HG3  GLU  39           HG1      GLU  39  -6.557   8.091   0.336
  322    H    ARG  40           H        ARG  40  -4.489   8.500  -1.311
  323    HA   ARG  40           HA       ARG  40  -4.279  11.195  -0.388
  324    HB2  ARG  40           HB2      ARG  40  -2.267   8.955  -0.381
  325    HB3  ARG  40           HB1      ARG  40  -1.880  10.577   0.176
  326    HG2  ARG  40           HG2      ARG  40  -3.763  10.384   1.793
  327    HG3  ARG  40           HG1      ARG  40  -3.921   8.691   1.322
  328    HD2  ARG  40           HD2      ARG  40  -1.662   8.243   2.054
  329    HD3  ARG  40           HD1      ARG  40  -1.412   9.953   2.416
  330    HE   ARG  40           HE       ARG  40  -3.497   8.426   3.781
  331   HH11  ARG  40          HH11      ARG  40  -0.522  10.342   3.962
  332   HH12  ARG  40          HH12      ARG  40  -0.511  10.423   5.654
  333   HH21  ARG  40          HH21      ARG  40  -3.465   8.547   6.146
  334   HH22  ARG  40          HH22      ARG  40  -2.220   9.413   6.915
  335    H    GLU  41           H        GLU  41  -2.900   9.386  -3.075
  336    HA   GLU  41           HA       GLU  41  -1.299  11.556  -4.012
  337    HB2  GLU  41           HB2      GLU  41  -1.080  10.259  -6.087
  338    HB3  GLU  41           HB1      GLU  41  -0.799   9.246  -4.679
  339    HG2  GLU  41           HG2      GLU  41  -2.960   8.261  -4.866
  340    HG3  GLU  41           HG1      GLU  41  -3.428   9.398  -6.120
  341    H    GLY  42           H        GLY  42  -4.621  10.666  -4.338
  342    HA2  GLY  42           HA2      GLY  42  -5.165  12.325  -6.604
  343    HA3  GLY  42           HA1      GLY  42  -6.351  11.567  -5.546
  344    H    ARG  43           H        ARG  43  -5.334  12.659  -3.139
  345    HA   ARG  43           HA       ARG  43  -6.687  15.191  -3.253
  346    HB2  ARG  43           HB2      ARG  43  -6.885  13.575  -1.351
  347    HB3  ARG  43           HB1      ARG  43  -5.223  13.942  -0.924
  348    HG2  ARG  43           HG2      ARG  43  -6.691  15.196   0.505
  349    HG3  ARG  43           HG1      ARG  43  -5.878  16.304  -0.606
  350    HD2  ARG  43           HD2      ARG  43  -8.253  16.855  -0.382
  351    HD3  ARG  43           HD1      ARG  43  -7.856  16.354  -2.025
  352    HE   ARG  43           HE       ARG  43  -8.727  14.173  -0.432
  353   HH11  ARG  43          HH11      ARG  43  -9.956  16.892  -2.324
  354   HH12  ARG  43          HH12      ARG  43 -11.494  16.198  -2.571
  355   HH21  ARG  43          HH21      ARG  43 -10.790  13.214  -0.806
  356   HH22  ARG  43          HH22      ARG  43 -11.990  14.052  -1.678
  357    H    ARG  44           H        ARG  44  -3.404  14.055  -2.576
  358    HA   ARG  44           HA       ARG  44  -2.429  16.820  -2.837
  359    HB2  ARG  44           HB2      ARG  44  -1.220  14.474  -1.395
  360    HB3  ARG  44           HB1      ARG  44  -0.478  16.050  -1.561
  361    HG2  ARG  44           HG2      ARG  44  -2.278  16.999  -0.178
  362    HG3  ARG  44           HG1      ARG  44  -2.979  15.378  -0.015
  363    HD2  ARG  44           HD2      ARG  44  -0.860  14.585   0.930
  364    HD3  ARG  44           HD1      ARG  44  -0.210  16.215   0.853
  365    HE   ARG  44           HE       ARG  44  -2.636  15.811   2.360
  366   HH11  ARG  44          HH11      ARG  44   0.882  16.334   2.374
  367   HH12  ARG  44          HH12      ARG  44   0.994  16.545   4.055
  368   HH21  ARG  44          HH21      ARG  44  -2.471  16.057   4.735
  369   HH22  ARG  44          HH22      ARG  44  -0.943  16.375   5.415
  370    H    GLU  45           H        GLU  45  -1.546  17.011  -4.824
  371    HA   GLU  45           HA       GLU  45  -0.381  14.706  -6.089
  372    HB2  GLU  45           HB2      GLU  45  -1.662  16.351  -7.453
  373    HB3  GLU  45           HB1      GLU  45  -0.489  17.589  -7.040
  374    HG2  GLU  45           HG2      GLU  45   1.236  16.421  -8.257
  375    HG3  GLU  45           HG1      GLU  45   0.144  15.075  -8.576
  376    H    VAL  46           H        VAL  46   1.071  14.303  -4.513
  377    HA   VAL  46           HA       VAL  46   3.033  14.191  -3.482
  378    HB   VAL  46           HB       VAL  46   4.105  15.926  -5.742
  379   HG11  VAL  46          HG11      VAL  46   5.636  15.881  -3.840
  380   HG12  VAL  46          HG12      VAL  46   6.301  14.963  -5.190
  381   HG13  VAL  46          3HG1      VAL  46   5.579  14.118  -3.821
  382   HG21  VAL  46          HG21      VAL  46   4.033  12.920  -5.465
  383   HG22  VAL  46          HG22      VAL  46   4.815  13.813  -6.772
  384   HG23  VAL  46          HG23      VAL  46   3.063  13.888  -6.574
  385    H    ASP  47           H        ASP  47   2.267  15.218  -1.682
  386    HA   ASP  47           HA       ASP  47   3.611  17.725  -1.118
  387    HB2  ASP  47           HB2      ASP  47   1.321  18.433  -1.741
  388    HB3  ASP  47           HB1      ASP  47   0.652  17.327  -0.549
  Start of MODEL   12
    1    H2   PRO   1           HT1      PRO   1  13.576   9.259   6.687
    2    H3   PRO   1           HT2      PRO   1  13.365   9.482   8.275
    3    HA   PRO   1           HA       PRO   1  11.934  11.031   8.036
    4    HB2  PRO   1           HB2      PRO   1  12.478  12.193   5.492
    5    HB3  PRO   1           HB1      PRO   1  12.639  12.951   7.083
    6    HG2  PRO   1           HG2      PRO   1  14.702  11.690   5.391
    7    HG3  PRO   1           HG1      PRO   1  14.887  12.893   6.676
    8    HD2  PRO   1           HD2      PRO   1  15.657  10.317   7.001
    9    HD3  PRO   1           HD1      PRO   1  15.006  11.278   8.343
   10    H    ARG   2           H        ARG   2  10.282  11.564   6.070
   11    HA   ARG   2           HA       ARG   2   9.926   9.012   4.663
   12    HB2  ARG   2           HB2      ARG   2   7.515   9.361   4.772
   13    HB3  ARG   2           HB1      ARG   2   8.180   9.486   6.383
   14    HG2  ARG   2           HG2      ARG   2   8.107  11.950   6.191
   15    HG3  ARG   2           HG1      ARG   2   7.339  11.770   4.617
   16    HD2  ARG   2           HD2      ARG   2   6.253  10.755   7.241
   17    HD3  ARG   2           HD1      ARG   2   5.709  12.204   6.404
   18    HE   ARG   2           HE       ARG   2   5.511   9.854   4.795
   19   HH11  ARG   2          HH11      ARG   2   3.893  11.688   7.347
   20   HH12  ARG   2          HH12      ARG   2   2.334  11.100   7.010
   21   HH21  ARG   2          HH21      ARG   2   3.367   8.959   4.372
   22   HH22  ARG   2          HH22      ARG   2   2.023   9.534   5.266
   23    H    GLY   3           H        GLY   3   9.032   9.179   2.496
   24    HA2  GLY   3           HA2      GLY   3   8.591  11.560   1.149
   25    HA3  GLY   3           HA1      GLY   3  10.298  11.158   0.975
   26    H    SER   4           H        SER   4   8.028  11.199  -0.929
   27    HA   SER   4           HA       SER   4   7.330  10.148  -2.752
   28    HB2  SER   4           HB2      SER   4   9.494   8.109  -2.152
   29    HB3  SER   4           HB1      SER   4   8.621   8.249  -3.680
   30    HG   SER   4           HG       SER   4   9.937  10.491  -2.621
   31    HA   PRO   5           HA       PRO   5   4.231   7.919  -0.322
   32    HB2  PRO   5           HB2      PRO   5   2.615   7.560  -2.636
   33    HB3  PRO   5           HB1      PRO   5   2.414   8.751  -1.352
   34    HG2  PRO   5           HG2      PRO   5   3.536   9.067  -4.039
   35    HG3  PRO   5           HG1      PRO   5   2.891  10.275  -2.937
   36    HD2  PRO   5           HD2      PRO   5   5.537   9.999  -3.518
   37    HD3  PRO   5           HD1      PRO   5   4.932  10.714  -2.013
   38    H    ARG   6           H        ARG   6   5.357   6.811  -3.423
   39    HA   ARG   6           HA       ARG   6   4.394   4.222  -3.472
   40    HB2  ARG   6           HB2      ARG   6   6.260   3.658  -4.945
   41    HB3  ARG   6           HB1      ARG   6   5.463   5.161  -5.399
   42    HG2  ARG   6           HG2      ARG   6   7.327   6.374  -4.234
   43    HG3  ARG   6           HG1      ARG   6   8.132   4.815  -4.046
   44    HD2  ARG   6           HD2      ARG   6   8.969   5.988  -6.011
   45    HD3  ARG   6           HD1      ARG   6   8.106   4.519  -6.481
   46    HE   ARG   6           HE       ARG   6   6.239   6.502  -6.535
   47   HH11  ARG   6          HH11      ARG   6   9.314   5.948  -8.230
   48   HH12  ARG   6          HH12      ARG   6   8.842   6.850  -9.587
   49   HH21  ARG   6          HH21      ARG   6   5.624   7.686  -8.413
   50   HH22  ARG   6          HH22      ARG   6   6.704   7.844  -9.711
   51    H    THR   7           H        THR   7   6.999   5.441  -1.559
   52    HA   THR   7           HA       THR   7   8.279   2.973  -1.020
   53    HB   THR   7           HB       THR   7   9.334   4.159   0.902
   54    HG1  THR   7           HG1      THR   7   7.998   6.531   0.128
   55   HG21  THR   7          HG21      THR   7  10.478   5.864  -0.424
   56   HG22  THR   7          HG22      THR   7   9.199   5.793  -1.633
   57   HG23  THR   7          HG23      THR   7  10.243   4.397  -1.376
   58    H    GLU   8           H        GLU   8   5.797   4.777   0.704
   59    HA   GLU   8           HA       GLU   8   5.561   3.003   2.908
   60    HB2  GLU   8           HB2      GLU   8   3.567   4.946   1.777
   61    HB3  GLU   8           HB1      GLU   8   3.454   4.193   3.362
   62    HG2  GLU   8           HG2      GLU   8   5.643   5.237   3.937
   63    HG3  GLU   8           HG1      GLU   8   5.566   6.110   2.414
   64    H    TYR   9           H        TYR   9   3.932   3.319  -0.167
   65    HA   TYR   9           HA       TYR   9   1.957   1.400   0.214
   66    HB2  TYR   9           HB2      TYR   9   1.626   2.888  -1.529
   67    HB3  TYR   9           HB1      TYR   9   3.285   2.773  -2.092
   68    HD1  TYR   9           HD1      TYR   9   3.946   1.113  -3.479
   69    HD2  TYR   9           HD2      TYR   9  -0.006   1.242  -2.145
   70    HE1  TYR   9           HE1      TYR   9   3.370  -0.556  -5.226
   71    HE2  TYR   9           HE2      TYR   9  -0.694  -0.422  -3.853
   72    HH   TYR   9           HH       TYR   9   1.621  -2.267  -5.552
   73    H    GLU  10           H        GLU  10   5.210   1.289  -1.136
   74    HA   GLU  10           HA       GLU  10   5.268  -1.393  -1.889
   75    HB2  GLU  10           HB2      GLU  10   6.810   0.464  -2.575
   76    HB3  GLU  10           HB1      GLU  10   7.559   0.333  -1.002
   77    HG2  GLU  10           HG2      GLU  10   8.307  -1.893  -1.482
   78    HG3  GLU  10           HG1      GLU  10   7.444  -1.881  -3.024
   79    H    ALA  11           H        ALA  11   6.317   0.247   1.081
   80    HA   ALA  11           HA       ALA  11   7.350  -1.933   2.469
   81    HB1  ALA  11           HB1      ALA  11   7.614   0.397   3.178
   82    HB2  ALA  11           HB2      ALA  11   6.964  -0.594   4.485
   83    HB3  ALA  11           HB3      ALA  11   5.898   0.471   3.572
   84    H    CYS  12           H        CYS  12   4.070  -0.667   2.366
   85    HA   CYS  12           HA       CYS  12   2.787  -2.418   4.112
   86    HB2  CYS  12           HB2      CYS  12   1.755  -0.375   3.189
   87    HB3  CYS  12           HB1      CYS  12   1.743  -1.093   1.588
   88    H    ARG  13           H        ARG  13   3.478  -2.721   0.673
   89    HA   ARG  13           HA       ARG  13   2.192  -5.221   0.296
   90    HB2  ARG  13           HB2      ARG  13   4.341  -3.820  -1.305
   91    HB3  ARG  13           HB1      ARG  13   3.508  -5.276  -1.832
   92    HG2  ARG  13           HG2      ARG  13   2.041  -2.746  -1.144
   93    HG3  ARG  13           HG1      ARG  13   2.662  -3.066  -2.760
   94    HD2  ARG  13           HD2      ARG  13   0.802  -4.941  -1.294
   95    HD3  ARG  13           HD1      ARG  13   0.242  -3.674  -2.387
   96    HE   ARG  13           HE       ARG  13   2.048  -4.977  -3.869
   97   HH11  ARG  13          HH11      ARG  13  -0.664  -6.288  -1.999
   98   HH12  ARG  13          HH12      ARG  13  -1.002  -7.504  -3.149
   99   HH21  ARG  13          HH21      ARG  13   1.543  -6.647  -5.399
  100   HH22  ARG  13          HH22      ARG  13   0.240  -7.692  -5.107
  101    H    VAL  14           H        VAL  14   5.527  -4.270   0.976
  102    HA   VAL  14           HA       VAL  14   6.730  -6.795   0.873
  103    HB   VAL  14           HB       VAL  14   7.488  -4.373   2.550
  104   HG11  VAL  14          HG11      VAL  14   9.709  -5.386   2.791
  105   HG12  VAL  14          HG12      VAL  14   9.138  -6.841   1.973
  106   HG13  VAL  14          3HG1      VAL  14   8.469  -6.392   3.541
  107   HG21  VAL  14          HG21      VAL  14   9.191  -4.031   0.828
  108   HG22  VAL  14          HG22      VAL  14   7.565  -4.006   0.144
  109   HG23  VAL  14          HG23      VAL  14   8.583  -5.432  -0.053
  110    H    ARG  15           H        ARG  15   5.160  -5.145   3.578
  111    HA   ARG  15           HA       ARG  15   5.675  -7.095   5.523
  112    HB2  ARG  15           HB2      ARG  15   4.809  -4.897   6.136
  113    HB3  ARG  15           HB1      ARG  15   3.301  -5.235   5.300
  114    HG2  ARG  15           HG2      ARG  15   2.771  -6.987   6.888
  115    HG3  ARG  15           HG1      ARG  15   4.321  -6.753   7.695
  116    HD2  ARG  15           HD2      ARG  15   2.162  -4.668   7.446
  117    HD3  ARG  15           HD1      ARG  15   2.439  -5.669   8.870
  118    HE   ARG  15           HE       ARG  15   4.839  -4.552   8.456
  119   HH11  ARG  15          HH11      ARG  15   1.622  -3.211   8.806
  120   HH12  ARG  15          HH12      ARG  15   2.140  -1.702   9.417
  121   HH21  ARG  15          HH21      ARG  15   5.584  -2.500   9.351
  122   HH22  ARG  15          HH22      ARG  15   4.443  -1.293   9.714
  123    H    CYS  16           H        CYS  16   3.050  -6.823   3.198
  124    HA   CYS  16           HA       CYS  16   1.770  -9.168   4.138
  125    HB2  CYS  16           HB2      CYS  16   1.462  -7.599   1.605
  126    HB3  CYS  16           HB1      CYS  16   0.500  -9.034   1.969
  127    H    GLN  17           H        GLN  17   4.302  -8.617   1.828
  128    HA   GLN  17           HA       GLN  17   4.190 -11.160   0.594
  129    HB2  GLN  17           HB2      GLN  17   6.507  -9.259   0.951
  130    HB3  GLN  17           HB1      GLN  17   6.570 -10.709  -0.039
  131    HG2  GLN  17           HG2      GLN  17   4.895  -9.837  -1.513
  132    HG3  GLN  17           HG1      GLN  17   4.642  -8.441  -0.466
  133   HE21  GLN  17          1HE2      GLN  17   5.137  -7.019  -2.066
  134   HE22  GLN  17          2HE2      GLN  17   6.732  -6.737  -2.645
  135    H    VAL  18           H        VAL  18   5.830  -9.976   3.464
  136    HA   VAL  18           HA       VAL  18   7.065 -12.535   3.889
  137    HB   VAL  18           HB       VAL  18   8.351 -10.582   4.541
  138   HG11  VAL  18          HG11      VAL  18   6.608  -9.037   5.129
  139   HG12  VAL  18          HG12      VAL  18   7.768  -9.179   6.452
  140   HG13  VAL  18          3HG1      VAL  18   6.205  -9.992   6.555
  141   HG21  VAL  18          HG21      VAL  18   7.534 -12.216   6.924
  142   HG22  VAL  18          HG22      VAL  18   8.970 -11.197   6.833
  143   HG23  VAL  18          HG23      VAL  18   8.812 -12.595   5.765
  144    H    ALA  19           H        ALA  19   4.401 -10.767   5.422
  145    HA   ALA  19           HA       ALA  19   4.065 -12.894   7.337
  146    HB1  ALA  19           HB1      ALA  19   2.343 -10.465   6.889
  147    HB2  ALA  19           HB2      ALA  19   3.726 -10.548   7.977
  148    HB3  ALA  19           HB3      ALA  19   2.301 -11.539   8.288
  149    H    GLU  20           H        GLU  20   2.095 -11.549   4.722
  150    HA   GLU  20           HA       GLU  20   0.016 -13.453   5.189
  151    HB2  GLU  20           HB2      GLU  20   0.364 -11.359   3.060
  152    HB3  GLU  20           HB1      GLU  20  -1.081 -12.337   3.275
  153    HG2  GLU  20           HG2      GLU  20   0.066 -10.467   5.344
  154    HG3  GLU  20           HG1      GLU  20  -1.280 -10.086   4.272
  155    H    HIS  21           H        HIS  21   1.977 -12.751   2.306
  156    HA   HIS  21           HA       HIS  21   2.859 -14.013   0.669
  157    HB2  HIS  21           HB2      HIS  21   3.815 -15.422   2.438
  158    HB3  HIS  21           HB1      HIS  21   2.334 -16.356   2.522
  159    HD1  HIS  21           HD1      HIS  21   5.593 -16.202   0.789
  160    HD2  HIS  21           HD2      HIS  21   1.930 -18.079   0.241
  161    HE1  HIS  21           HE1      HIS  21   6.006 -18.076  -0.829
  162    H    GLY  22           H        GLY  22   0.013 -15.706   1.889
  163    HA2  GLY  22           HA2      GLY  22  -0.670 -17.061  -0.456
  164    HA3  GLY  22           HA1      GLY  22  -1.773 -16.714   0.858
  165    H    VAL  23           H        VAL  23  -2.233 -16.805  -1.976
  166    HA   VAL  23           HA       VAL  23  -2.301 -14.394  -3.375
  167    HB   VAL  23           HB       VAL  23  -4.237 -16.709  -3.617
  168   HG11  VAL  23          HG11      VAL  23  -5.081 -14.746  -4.767
  169   HG12  VAL  23          HG12      VAL  23  -4.551 -15.957  -5.937
  170   HG13  VAL  23          3HG1      VAL  23  -3.539 -14.550  -5.601
  171   HG21  VAL  23          HG21      VAL  23  -2.745 -17.496  -5.401
  172   HG22  VAL  23          HG22      VAL  23  -1.938 -17.441  -3.835
  173   HG23  VAL  23          HG23      VAL  23  -1.630 -16.182  -5.027
  174    H    GLU  24           H        GLU  24  -4.811 -15.831  -1.368
  175    HA   GLU  24           HA       GLU  24  -6.815 -13.930  -1.893
  176    HB2  GLU  24           HB2      GLU  24  -6.406 -15.651   0.556
  177    HB3  GLU  24           HB1      GLU  24  -7.881 -14.791   0.155
  178    HG2  GLU  24           HG2      GLU  24  -8.220 -16.126  -1.798
  179    HG3  GLU  24           HG1      GLU  24  -6.645 -16.891  -1.609
  180    H    ARG  25           H        ARG  25  -4.427 -14.140   0.669
  181    HA   ARG  25           HA       ARG  25  -5.224 -11.780   2.035
  182    HB2  ARG  25           HB2      ARG  25  -2.574 -13.213   2.015
  183    HB3  ARG  25           HB1      ARG  25  -3.068 -11.975   3.166
  184    HG2  ARG  25           HG2      ARG  25  -4.812 -13.417   4.008
  185    HG3  ARG  25           HG1      ARG  25  -4.394 -14.660   2.830
  186    HD2  ARG  25           HD2      ARG  25  -2.141 -14.784   3.802
  187    HD3  ARG  25           HD1      ARG  25  -2.603 -13.568   4.986
  188    HE   ARG  25           HE       ARG  25  -4.201 -15.971   4.883
  189   HH11  ARG  25          HH11      ARG  25  -1.728 -14.060   6.599
  190   HH12  ARG  25          HH12      ARG  25  -1.625 -15.128   7.910
  191   HH21  ARG  25          HH21      ARG  25  -4.029 -17.434   6.708
  192   HH22  ARG  25          HH22      ARG  25  -2.945 -17.092   7.985
  193    H    GLN  26           H        GLN  26  -2.806 -12.516  -0.414
  194    HA   GLN  26           HA       GLN  26  -1.465 -10.106  -0.662
  195    HB2  GLN  26           HB2      GLN  26  -0.878 -12.268  -1.774
  196    HB3  GLN  26           HB1      GLN  26  -2.254 -12.083  -2.829
  197    HG2  GLN  26           HG2      GLN  26   0.095 -10.184  -2.810
  198    HG3  GLN  26           HG1      GLN  26   0.013 -11.614  -3.823
  199   HE21  GLN  26          1HE2      GLN  26  -1.525 -11.643  -5.486
  200   HE22  GLN  26          2HE2      GLN  26  -2.192 -10.209  -6.151
  201    H    ARG  27           H        ARG  27  -4.349 -11.234  -2.343
  202    HA   ARG  27           HA       ARG  27  -4.956  -8.976  -3.842
  203    HB2  ARG  27           HB2      ARG  27  -6.020 -11.106  -4.225
  204    HB3  ARG  27           HB1      ARG  27  -6.758 -11.067  -2.636
  205    HG2  ARG  27           HG2      ARG  27  -8.149  -9.183  -3.322
  206    HG3  ARG  27           HG1      ARG  27  -7.385  -9.201  -4.914
  207    HD2  ARG  27           HD2      ARG  27  -8.218 -11.406  -5.349
  208    HD3  ARG  27           HD1      ARG  27  -8.853 -11.537  -3.712
  209    HE   ARG  27           HE       ARG  27  -9.941  -9.320  -5.082
  210   HH11  ARG  27          HH11      ARG  27 -10.139 -12.849  -4.878
  211   HH12  ARG  27          HH12      ARG  27 -11.771 -12.946  -5.340
  212   HH21  ARG  27          HH21      ARG  27 -12.238  -9.453  -5.726
  213   HH22  ARG  27          HH22      ARG  27 -12.999 -10.972  -5.796
  214    H    ARG  28           H        ARG  28  -5.741  -9.697  -0.475
  215    HA   ARG  28           HA       ARG  28  -7.480  -7.479  -0.091
  216    HB2  ARG  28           HB2      ARG  28  -5.789  -8.894   1.982
  217    HB3  ARG  28           HB1      ARG  28  -7.110  -7.789   2.322
  218    HG2  ARG  28           HG2      ARG  28  -8.618  -9.383   1.131
  219    HG3  ARG  28           HG1      ARG  28  -7.263 -10.507   1.070
  220    HD2  ARG  28           HD2      ARG  28  -8.511  -9.356   3.562
  221    HD3  ARG  28           HD1      ARG  28  -8.718 -10.994   2.962
  222    HE   ARG  28           HE       ARG  28  -6.015 -10.086   3.617
  223   HH11  ARG  28          HH11      ARG  28  -8.798 -12.138   4.421
  224   HH12  ARG  28          HH12      ARG  28  -7.999 -12.980   5.653
  225   HH21  ARG  28          HH21      ARG  28  -4.889 -11.301   5.316
  226   HH22  ARG  28          HH22      ARG  28  -5.731 -12.517   6.141
  227    H    CYS  29           H        CYS  29  -4.055  -8.008   0.650
  228    HA   CYS  29           HA       CYS  29  -3.479  -5.440   1.570
  229    HB2  CYS  29           HB2      CYS  29  -1.727  -7.472   0.204
  230    HB3  CYS  29           HB1      CYS  29  -1.140  -6.043   1.045
  231    H    GLN  30           H        GLN  30  -3.594  -6.791  -1.633
  232    HA   GLN  30           HA       GLN  30  -2.356  -4.799  -3.135
  233    HB2  GLN  30           HB2      GLN  30  -3.113  -7.078  -3.866
  234    HB3  GLN  30           HB1      GLN  30  -4.755  -6.462  -3.893
  235    HG2  GLN  30           HG2      GLN  30  -4.072  -4.833  -5.589
  236    HG3  GLN  30           HG1      GLN  30  -2.462  -5.560  -5.599
  237   HE21  GLN  30          1HE2      GLN  30  -2.225  -7.654  -6.407
  238   HE22  GLN  30          2HE2      GLN  30  -3.420  -8.372  -7.423
  239    H    GLN  31           H        GLN  31  -5.639  -5.142  -1.951
  240    HA   GLN  31           HA       GLN  31  -6.584  -2.726  -3.171
  241    HB2  GLN  31           HB2      GLN  31  -8.060  -4.639  -2.790
  242    HB3  GLN  31           HB1      GLN  31  -7.807  -4.500  -1.058
  243    HG2  GLN  31           HG2      GLN  31  -8.846  -2.263  -1.121
  244    HG3  GLN  31           HG1      GLN  31  -9.166  -2.491  -2.837
  245   HE21  GLN  31          1HE2      GLN  31  -9.760  -5.338  -2.467
  246   HE22  GLN  31          2HE2      GLN  31 -11.325  -5.385  -1.754
  247    H    VAL  32           H        VAL  32  -5.939  -3.803   0.159
  248    HA   VAL  32           HA       VAL  32  -6.582  -1.431   1.468
  249    HB   VAL  32           HB       VAL  32  -4.592  -3.547   2.356
  250   HG11  VAL  32          HG11      VAL  32  -4.278  -1.469   3.608
  251   HG12  VAL  32          HG12      VAL  32  -4.983  -2.718   4.632
  252   HG13  VAL  32          3HG1      VAL  32  -5.998  -1.427   3.989
  253   HG21  VAL  32          HG21      VAL  32  -6.824  -4.440   1.954
  254   HG22  VAL  32          HG22      VAL  32  -7.518  -3.195   2.995
  255   HG23  VAL  32          HG23      VAL  32  -6.450  -4.421   3.677
  256    H    CYS  33           H        CYS  33  -3.343  -2.519   0.395
  257    HA   CYS  33           HA       CYS  33  -2.010  -0.253   1.405
  258    HB2  CYS  33           HB2      CYS  33  -1.158  -2.039  -0.888
  259    HB3  CYS  33           HB1      CYS  33  -0.118  -0.918  -0.021
  260    H    GLU  34           H        GLU  34  -3.706  -0.826  -1.613
  261    HA   GLU  34           HA       GLU  34  -2.675   1.498  -2.922
  262    HB2  GLU  34           HB2      GLU  34  -3.535  -0.388  -4.221
  263    HB3  GLU  34           HB1      GLU  34  -5.122  -0.180  -3.499
  264    HG2  GLU  34           HG2      GLU  34  -5.322   2.014  -4.561
  265    HG3  GLU  34           HG1      GLU  34  -3.732   1.808  -5.288
  266    H    LYS  35           H        LYS  35  -5.659   0.634  -1.254
  267    HA   LYS  35           HA       LYS  35  -6.979   3.067  -1.610
  268    HB2  LYS  35           HB2      LYS  35  -8.115   0.991  -0.936
  269    HB3  LYS  35           HB1      LYS  35  -7.325   1.071   0.632
  270    HG2  LYS  35           HG2      LYS  35  -8.474   3.145   1.148
  271    HG3  LYS  35           HG1      LYS  35  -9.215   3.151  -0.448
  272    HD2  LYS  35           HD2      LYS  35  -9.661   1.078   1.702
  273    HD3  LYS  35           HD1      LYS  35 -10.764   2.383   1.290
  274    HE2  LYS  35           HE2      LYS  35  -9.946   0.110  -0.539
  275    HE3  LYS  35           HE1      LYS  35 -11.486   0.276   0.282
  276    HZ1  LYS  35           HZ1      LYS  35 -10.427   2.087  -1.814
  277    HZ2  LYS  35           HZ2      LYS  35 -11.895   2.310  -1.008
  278    HZ3  LYS  35           HZ3      LYS  35 -11.664   0.968  -1.997
  279    H    ARG  36           H        ARG  36  -4.974   1.910   1.076
  280    HA   ARG  36           HA       ARG  36  -5.270   4.239   2.638
  281    HB2  ARG  36           HB2      ARG  36  -3.085   2.153   2.623
  282    HB3  ARG  36           HB1      ARG  36  -3.186   3.449   3.807
  283    HG2  ARG  36           HG2      ARG  36  -5.291   1.333   3.372
  284    HG3  ARG  36           HG1      ARG  36  -4.077   1.317   4.651
  285    HD2  ARG  36           HD2      ARG  36  -6.196   3.439   4.255
  286    HD3  ARG  36           HD1      ARG  36  -6.233   2.158   5.458
  287    HE   ARG  36           HE       ARG  36  -4.015   3.217   6.194
  288   HH11  ARG  36          HH11      ARG  36  -6.836   5.062   5.038
  289   HH12  ARG  36          HH12      ARG  36  -6.454   6.435   5.962
  290   HH21  ARG  36          HH21      ARG  36  -3.518   5.084   7.398
  291   HH22  ARG  36          HH22      ARG  36  -4.500   6.471   7.334
  292    H    LEU  37           H        LEU  37  -3.012   3.398   0.105
  293    HA   LEU  37           HA       LEU  37  -1.315   5.643   0.412
  294    HB2  LEU  37           HB2      LEU  37  -0.862   3.470  -0.849
  295    HB3  LEU  37           HB1      LEU  37  -1.897   4.071  -2.114
  296    HG   LEU  37           HG       LEU  37   0.568   4.236  -2.561
  297   HD11  LEU  37          HD11      LEU  37  -0.940   6.827  -2.597
  298   HD12  LEU  37          HD12      LEU  37  -0.922   5.566  -3.840
  299   HD13  LEU  37          HD13      LEU  37   0.547   6.471  -3.487
  300   HD21  LEU  37          HD21      LEU  37   1.243   4.810  -0.298
  301   HD22  LEU  37          HD22      LEU  37   0.473   6.396  -0.466
  302   HD23  LEU  37          HD23      LEU  37   1.848   5.958  -1.483
  303    H    ARG  38           H        ARG  38  -4.141   4.948  -1.560
  304    HA   ARG  38           HA       ARG  38  -4.311   7.420  -2.901
  305    HB2  ARG  38           HB2      ARG  38  -5.423   5.357  -3.665
  306    HB3  ARG  38           HB1      ARG  38  -6.465   5.397  -2.255
  307    HG2  ARG  38           HG2      ARG  38  -7.497   7.456  -3.068
  308    HG3  ARG  38           HG1      ARG  38  -6.423   7.440  -4.469
  309    HD2  ARG  38           HD2      ARG  38  -7.349   5.354  -5.221
  310    HD3  ARG  38           HD1      ARG  38  -8.334   5.219  -3.770
  311    HE   ARG  38           HE       ARG  38  -8.831   7.602  -5.270
  312   HH11  ARG  38          HH11      ARG  38  -9.710   4.183  -4.950
  313   HH12  ARG  38          HH12      ARG  38 -11.209   4.327  -5.730
  314   HH21  ARG  38          HH21      ARG  38 -10.924   7.823  -6.344
  315   HH22  ARG  38          HH22      ARG  38 -11.914   6.463  -6.544
  316    H    GLU  39           H        GLU  39  -5.490   6.306   0.213
  317    HA   GLU  39           HA       GLU  39  -7.005   8.645   0.778
  318    HB2  GLU  39           HB2      GLU  39  -5.832   6.574   2.612
  319    HB3  GLU  39           HB1      GLU  39  -6.776   7.932   3.187
  320    HG2  GLU  39           HG2      GLU  39  -8.652   7.109   1.752
  321    HG3  GLU  39           HG1      GLU  39  -7.679   5.666   1.443
  322    H    ARG  40           H        ARG  40  -3.670   7.719   1.298
  323    HA   ARG  40           HA       ARG  40  -2.894   9.798   3.037
  324    HB2  ARG  40           HB2      ARG  40  -1.563   7.698   2.176
  325    HB3  ARG  40           HB1      ARG  40  -1.073   8.772   0.875
  326    HG2  ARG  40           HG2      ARG  40  -0.418  10.379   2.801
  327    HG3  ARG  40           HG1      ARG  40  -0.443   8.914   3.778
  328    HD2  ARG  40           HD2      ARG  40   1.787   9.097   3.087
  329    HD3  ARG  40           HD1      ARG  40   1.094   7.924   1.963
  330    HE   ARG  40           HE       ARG  40   0.728  10.165   0.599
  331   HH11  ARG  40          HH11      ARG  40   3.691   8.936   2.136
  332   HH12  ARG  40          HH12      ARG  40   4.698  10.013   1.281
  333   HH21  ARG  40          HH21      ARG  40   2.069  11.542  -0.509
  334   HH22  ARG  40          HH22      ARG  40   3.775  11.551  -0.265
  335    H    GLU  41           H        GLU  41  -2.760   9.468  -0.461
  336    HA   GLU  41           HA       GLU  41  -1.939  12.173  -0.880
  337    HB2  GLU  41           HB2      GLU  41  -2.870  10.061  -2.819
  338    HB3  GLU  41           HB1      GLU  41  -2.192  11.618  -3.281
  339    HG2  GLU  41           HG2      GLU  41  -0.786   9.470  -1.708
  340    HG3  GLU  41           HG1      GLU  41  -0.496   9.877  -3.398
  341    H    GLY  42           H        GLY  42  -4.889  10.601  -0.486
  342    HA2  GLY  42           HA2      GLY  42  -6.529  12.592  -1.781
  343    HA3  GLY  42           HA1      GLY  42  -7.070  11.247  -0.789
  344    H    ARG  43           H        ARG  43  -4.934  12.309   1.165
  345    HA   ARG  43           HA       ARG  43  -6.815  13.844   2.710
  346    HB2  ARG  43           HB2      ARG  43  -5.265  12.030   3.590
  347    HB3  ARG  43           HB1      ARG  43  -3.953  13.174   3.389
  348    HG2  ARG  43           HG2      ARG  43  -4.667  13.108   5.697
  349    HG3  ARG  43           HG1      ARG  43  -5.038  14.682   4.997
  350    HD2  ARG  43           HD2      ARG  43  -7.068  12.462   5.133
  351    HD3  ARG  43           HD1      ARG  43  -6.828  13.602   6.450
  352    HE   ARG  43           HE       ARG  43  -7.333  15.356   4.724
  353   HH11  ARG  43          HH11      ARG  43  -8.747  12.107   4.403
  354   HH12  ARG  43          HH12      ARG  43 -10.174  12.664   3.663
  355   HH21  ARG  43          HH21      ARG  43  -9.301  16.088   3.699
  356   HH22  ARG  43          HH22      ARG  43 -10.498  14.966   3.254
  357    H    ARG  44           H        ARG  44  -4.597  14.554   0.364
  358    HA   ARG  44           HA       ARG  44  -4.405  17.361   1.159
  359    HB2  ARG  44           HB2      ARG  44  -2.207  15.710  -0.099
  360    HB3  ARG  44           HB1      ARG  44  -2.148  17.428   0.225
  361    HG2  ARG  44           HG2      ARG  44  -2.272  16.904   2.655
  362    HG3  ARG  44           HG1      ARG  44  -2.160  15.188   2.237
  363    HD2  ARG  44           HD2      ARG  44   0.045  16.060   2.785
  364    HD3  ARG  44           HD1      ARG  44  -0.044  15.627   1.075
  365    HE   ARG  44           HE       ARG  44  -0.417  18.378   2.014
  366   HH11  ARG  44          HH11      ARG  44   1.239  16.105  -0.185
  367   HH12  ARG  44          HH12      ARG  44   2.004  17.343  -1.064
  368   HH21  ARG  44          HH21      ARG  44   0.646  20.042   0.770
  369   HH22  ARG  44          HH22      ARG  44   1.686  19.596  -0.503
  370    H    GLU  45           H        GLU  45  -3.695  18.566  -0.948
  371    HA   GLU  45           HA       GLU  45  -5.038  17.307  -3.182
  372    HB2  GLU  45           HB2      GLU  45  -4.196  20.167  -2.724
  373    HB3  GLU  45           HB1      GLU  45  -4.627  19.576  -4.318
  374    HG2  GLU  45           HG2      GLU  45  -6.519  20.675  -3.429
  375    HG3  GLU  45           HG1      GLU  45  -6.858  18.954  -3.393
  376    H    VAL  46           H        VAL  46  -3.787  16.098  -4.337
  377    HA   VAL  46           HA       VAL  46  -0.980  16.786  -4.442
  378    HB   VAL  46           HB       VAL  46  -0.618  14.444  -5.354
  379   HG11  VAL  46          HG11      VAL  46  -1.900  14.752  -2.637
  380   HG12  VAL  46          HG12      VAL  46  -0.214  15.086  -3.027
  381   HG13  VAL  46          3HG1      VAL  46  -0.830  13.438  -3.126
  382   HG21  VAL  46          HG21      VAL  46  -2.386  12.800  -4.995
  383   HG22  VAL  46          HG22      VAL  46  -2.973  14.058  -6.089
  384   HG23  VAL  46          HG23      VAL  46  -3.462  14.060  -4.397
  385    H    ASP  47           H        ASP  47  -1.036  18.406  -5.860
  386    HA   ASP  47           HA       ASP  47  -1.534  17.614  -8.642
  387    HB2  ASP  47           HB2      ASP  47  -3.053  19.435  -7.866
  388    HB3  ASP  47           HB1      ASP  47  -1.646  20.415  -7.475
  Start of MODEL   13
    1    H2   PRO   1           HT1      PRO   1  11.155  14.781   1.251
    2    H3   PRO   1           HT2      PRO   1  10.556  14.441   2.712
    3    HA   PRO   1           HA       PRO   1   8.607  14.245   1.983
    4    HB2  PRO   1           HB2      PRO   1   8.630  16.409  -0.018
    5    HB3  PRO   1           HB1      PRO   1   7.452  16.071   1.261
    6    HG2  PRO   1           HG2      PRO   1   9.249  18.092   1.436
    7    HG3  PRO   1           HG1      PRO   1   8.619  17.226   2.844
    8    HD2  PRO   1           HD2      PRO   1  11.292  17.044   1.556
    9    HD3  PRO   1           HD1      PRO   1  10.832  16.770   3.244
   10    H    ARG   2           H        ARG   2   7.738  13.128   0.143
   11    HA   ARG   2           HA       ARG   2   9.551  12.962  -2.136
   12    HB2  ARG   2           HB2      ARG   2   8.347  10.608  -0.704
   13    HB3  ARG   2           HB1      ARG   2   9.016  10.505  -2.322
   14    HG2  ARG   2           HG2      ARG   2  11.178  11.372  -1.314
   15    HG3  ARG   2           HG1      ARG   2  10.431  11.058   0.256
   16    HD2  ARG   2           HD2      ARG   2  11.799   9.177  -0.451
   17    HD3  ARG   2           HD1      ARG   2  10.098   8.722  -0.360
   18    HE   ARG   2           HE       ARG   2  10.521   9.522  -2.960
   19   HH11  ARG   2          HH11      ARG   2  11.753   6.944  -0.883
   20   HH12  ARG   2          HH12      ARG   2  12.172   5.928  -2.176
   21   HH21  ARG   2          HH21      ARG   2  11.096   8.137  -4.716
   22   HH22  ARG   2          HH22      ARG   2  11.813   6.624  -4.411
   23    H    GLY   3           H        GLY   3   8.655  12.668  -4.072
   24    HA2  GLY   3           HA2      GLY   3   5.908  13.421  -4.295
   25    HA3  GLY   3           HA1      GLY   3   7.024  13.135  -5.622
   26    H    SER   4           H        SER   4   7.751  10.452  -4.641
   27    HA   SER   4           HA       SER   4   5.284   9.136  -5.443
   28    HB2  SER   4           HB2      SER   4   7.273   8.765  -6.906
   29    HB3  SER   4           HB1      SER   4   8.097   8.041  -5.520
   30    HG   SER   4           HG       SER   4   6.249   6.990  -7.194
   31    HA   PRO   5           HA       PRO   5   5.470   7.577  -1.223
   32    HB2  PRO   5           HB2      PRO   5   2.869   7.382  -0.846
   33    HB3  PRO   5           HB1      PRO   5   3.669   8.964  -0.792
   34    HG2  PRO   5           HG2      PRO   5   1.985   7.753  -2.928
   35    HG3  PRO   5           HG1      PRO   5   2.108   9.441  -2.428
   36    HD2  PRO   5           HD2      PRO   5   3.398   8.300  -4.625
   37    HD3  PRO   5           HD1      PRO   5   3.809   9.852  -3.869
   38    H    ARG   6           H        ARG   6   4.713   6.435  -4.089
   39    HA   ARG   6           HA       ARG   6   3.400   3.988  -3.813
   40    HB2  ARG   6           HB2      ARG   6   3.894   4.822  -6.030
   41    HB3  ARG   6           HB1      ARG   6   5.624   4.692  -5.741
   42    HG2  ARG   6           HG2      ARG   6   5.386   2.248  -5.558
   43    HG3  ARG   6           HG1      ARG   6   3.673   2.408  -5.914
   44    HD2  ARG   6           HD2      ARG   6   4.126   3.203  -8.106
   45    HD3  ARG   6           HD1      ARG   6   5.856   3.343  -7.768
   46    HE   ARG   6           HE       ARG   6   5.490   0.791  -7.276
   47   HH11  ARG   6          HH11      ARG   6   4.339   2.672 -10.080
   48   HH12  ARG   6          HH12      ARG   6   4.332   1.316 -11.121
   49   HH21  ARG   6          HH21      ARG   6   5.494  -1.020  -8.764
   50   HH22  ARG   6          HH22      ARG   6   5.018  -0.776 -10.385
   51    H    THR   7           H        THR   7   6.731   4.811  -3.104
   52    HA   THR   7           HA       THR   7   7.772   2.245  -2.824
   53    HB   THR   7           HB       THR   7   9.468   3.496  -1.380
   54    HG1  THR   7           HG1      THR   7   9.013   5.474  -0.847
   55   HG21  THR   7          HG21      THR   7   8.783   4.612  -4.108
   56   HG22  THR   7          HG22      THR   7   9.799   3.201  -3.794
   57   HG23  THR   7          HG23      THR   7  10.330   4.805  -3.288
   58    H    GLU   8           H        GLU   8   6.226   4.425  -0.548
   59    HA   GLU   8           HA       GLU   8   6.439   2.815   1.782
   60    HB2  GLU   8           HB2      GLU   8   4.430   4.934   1.055
   61    HB3  GLU   8           HB1      GLU   8   4.693   4.298   2.671
   62    HG2  GLU   8           HG2      GLU   8   6.718   5.809   1.032
   63    HG3  GLU   8           HG1      GLU   8   5.767   6.481   2.357
   64    H    TYR   9           H        TYR   9   4.076   3.228  -0.743
   65    HA   TYR   9           HA       TYR   9   2.023   1.677   0.324
   66    HB2  TYR   9           HB2      TYR   9   1.285   3.069  -1.317
   67    HB3  TYR   9           HB1      TYR   9   2.739   2.883  -2.285
   68    HD1  TYR   9           HD1      TYR   9  -0.524   1.431  -1.463
   69    HD2  TYR   9           HD2      TYR   9   2.891   1.285  -3.886
   70    HE1  TYR   9           HE1      TYR   9  -1.692  -0.154  -2.966
   71    HE2  TYR   9           HE2      TYR   9   1.791  -0.295  -5.429
   72    HH   TYR   9           HH       TYR   9  -1.502  -0.839  -5.374
   73    H    GLU  10           H        GLU  10   4.647   0.857  -1.951
   74    HA   GLU  10           HA       GLU  10   3.761  -1.828  -2.106
   75    HB2  GLU  10           HB2      GLU  10   6.355  -0.593  -3.025
   76    HB3  GLU  10           HB1      GLU  10   5.915  -2.279  -3.295
   77    HG2  GLU  10           HG2      GLU  10   3.884  -1.468  -4.495
   78    HG3  GLU  10           HG1      GLU  10   4.534   0.163  -4.348
   79    H    ALA  11           H        ALA  11   5.901  -0.138   0.005
   80    HA   ALA  11           HA       ALA  11   7.211  -2.324   1.157
   81    HB1  ALA  11           HB1      ALA  11   7.499  -0.890   3.136
   82    HB2  ALA  11           HB2      ALA  11   6.273   0.212   2.514
   83    HB3  ALA  11           HB3      ALA  11   7.798   0.018   1.655
   84    H    CYS  12           H        CYS  12   4.055  -0.901   1.786
   85    HA   CYS  12           HA       CYS  12   3.203  -2.517   3.920
   86    HB2  CYS  12           HB2      CYS  12   1.998  -0.475   3.150
   87    HB3  CYS  12           HB1      CYS  12   1.558  -1.307   1.670
   88    H    ARG  13           H        ARG  13   3.031  -2.932   0.435
   89    HA   ARG  13           HA       ARG  13   1.559  -5.353   0.504
   90    HB2  ARG  13           HB2      ARG  13   3.183  -4.096  -1.696
   91    HB3  ARG  13           HB1      ARG  13   2.198  -5.533  -1.909
   92    HG2  ARG  13           HG2      ARG  13   0.206  -4.226  -1.236
   93    HG3  ARG  13           HG1      ARG  13   1.224  -2.789  -1.128
   94    HD2  ARG  13           HD2      ARG  13   0.020  -2.886  -3.257
   95    HD3  ARG  13           HD1      ARG  13   1.764  -2.976  -3.492
   96    HE   ARG  13           HE       ARG  13   0.900  -5.557  -3.315
   97   HH11  ARG  13          HH11      ARG  13  -0.004  -2.842  -5.439
   98   HH12  ARG  13          HH12      ARG  13  -0.145  -3.776  -6.827
   99   HH21  ARG  13          HH21      ARG  13   0.708  -6.864  -5.236
  100   HH22  ARG  13          HH22      ARG  13   0.294  -6.169  -6.725
  101    H    VAL  14           H        VAL  14   5.027  -4.656   0.216
  102    HA   VAL  14           HA       VAL  14   5.822  -7.339  -0.116
  103    HB   VAL  14           HB       VAL  14   7.415  -5.059   1.133
  104   HG11  VAL  14          HG11      VAL  14   8.374  -7.702   0.018
  105   HG12  VAL  14          HG12      VAL  14   8.356  -7.249   1.721
  106   HG13  VAL  14          3HG1      VAL  14   9.407  -6.391   0.593
  107   HG21  VAL  14          HG21      VAL  14   7.391  -6.128  -1.690
  108   HG22  VAL  14          HG22      VAL  14   8.467  -4.875  -1.074
  109   HG23  VAL  14          HG23      VAL  14   6.729  -4.581  -1.157
  110    H    ARG  15           H        ARG  15   5.222  -5.401   2.767
  111    HA   ARG  15           HA       ARG  15   5.990  -7.303   4.675
  112    HB2  ARG  15           HB2      ARG  15   3.842  -5.186   4.799
  113    HB3  ARG  15           HB1      ARG  15   4.253  -6.207   6.166
  114    HG2  ARG  15           HG2      ARG  15   6.105  -4.293   4.767
  115    HG3  ARG  15           HG1      ARG  15   5.324  -4.028   6.326
  116    HD2  ARG  15           HD2      ARG  15   7.378  -6.137   5.649
  117    HD3  ARG  15           HD1      ARG  15   7.588  -4.741   6.700
  118    HE   ARG  15           HE       ARG  15   5.578  -5.991   7.898
  119   HH11  ARG  15          HH11      ARG  15   8.718  -7.206   6.772
  120   HH12  ARG  15          HH12      ARG  15   8.789  -8.483   7.899
  121   HH21  ARG  15          HH21      ARG  15   5.694  -7.784   9.458
  122   HH22  ARG  15          HH22      ARG  15   7.046  -8.801   9.448
  123    H    CYS  16           H        CYS  16   2.917  -6.853   3.024
  124    HA   CYS  16           HA       CYS  16   1.606  -8.949   4.338
  125    HB2  CYS  16           HB2      CYS  16   1.090  -7.688   1.662
  126    HB3  CYS  16           HB1      CYS  16   0.010  -8.846   2.436
  127    H    GLN  17           H        GLN  17   3.668  -8.940   1.511
  128    HA   GLN  17           HA       GLN  17   2.975 -11.543   0.682
  129    HB2  GLN  17           HB2      GLN  17   5.441  -9.907   0.140
  130    HB3  GLN  17           HB1      GLN  17   5.122 -11.469  -0.604
  131    HG2  GLN  17           HG2      GLN  17   3.068 -10.576  -1.584
  132    HG3  GLN  17           HG1      GLN  17   3.416  -9.006  -0.858
  133   HE21  GLN  17          1HE2      GLN  17   5.060  -7.759  -1.711
  134   HE22  GLN  17          2HE2      GLN  17   5.777  -8.113  -3.242
  135    H    VAL  18           H        VAL  18   5.340 -10.353   2.969
  136    HA   VAL  18           HA       VAL  18   6.305 -13.062   3.307
  137    HB   VAL  18           HB       VAL  18   8.021 -11.324   3.240
  138   HG11  VAL  18          HG11      VAL  18   8.329  -9.704   5.049
  139   HG12  VAL  18          HG12      VAL  18   6.790 -10.209   5.746
  140   HG13  VAL  18          3HG1      VAL  18   6.829  -9.444   4.157
  141   HG21  VAL  18          HG21      VAL  18   7.835 -12.602   5.967
  142   HG22  VAL  18          HG22      VAL  18   9.303 -11.935   5.246
  143   HG23  VAL  18          HG23      VAL  18   8.516 -13.334   4.514
  144    H    ALA  19           H        ALA  19   4.523 -10.673   5.232
  145    HA   ALA  19           HA       ALA  19   4.461 -12.359   7.549
  146    HB1  ALA  19           HB1      ALA  19   4.462  -9.910   7.719
  147    HB2  ALA  19           HB2      ALA  19   3.082 -10.635   8.539
  148    HB3  ALA  19           HB3      ALA  19   2.871  -9.873   6.962
  149    H    GLU  20           H        GLU  20   1.964 -11.259   5.275
  150    HA   GLU  20           HA       GLU  20  -0.030 -12.968   6.400
  151    HB2  GLU  20           HB2      GLU  20   0.036 -11.598   3.698
  152    HB3  GLU  20           HB1      GLU  20  -1.379 -12.322   4.439
  153    HG2  GLU  20           HG2      GLU  20   0.141  -9.999   5.591
  154    HG3  GLU  20           HG1      GLU  20  -1.291  -9.842   4.583
  155    H    HIS  21           H        HIS  21   1.699 -12.911   3.355
  156    HA   HIS  21           HA       HIS  21   2.285 -14.411   1.839
  157    HB2  HIS  21           HB2      HIS  21   3.781 -15.130   3.669
  158    HB3  HIS  21           HB1      HIS  21   2.575 -16.295   4.191
  159    HD1  HIS  21           HD1      HIS  21   2.475 -18.525   2.896
  160    HD2  HIS  21           HD2      HIS  21   5.102 -15.758   1.272
  161    HE1  HIS  21           HE1      HIS  21   3.825 -19.776   1.172
  162    H    GLY  22           H        GLY  22   0.392 -14.467   0.723
  163    HA2  GLY  22           HA2      GLY  22  -0.707 -16.940   0.216
  164    HA3  GLY  22           HA1      GLY  22  -1.790 -16.105   1.330
  165    H    VAL  23           H        VAL  23  -2.068 -16.836  -1.545
  166    HA   VAL  23           HA       VAL  23  -1.712 -14.663  -3.263
  167    HB   VAL  23           HB       VAL  23  -3.869 -16.780  -3.451
  168   HG11  VAL  23          HG11      VAL  23  -4.285 -14.913  -4.952
  169   HG12  VAL  23          HG12      VAL  23  -3.813 -16.352  -5.854
  170   HG13  VAL  23          3HG1      VAL  23  -2.650 -15.051  -5.598
  171   HG21  VAL  23          HG21      VAL  23  -2.284 -17.975  -4.899
  172   HG22  VAL  23          HG22      VAL  23  -1.692 -17.805  -3.247
  173   HG23  VAL  23          HG23      VAL  23  -1.054 -16.767  -4.524
  174    H    GLU  24           H        GLU  24  -4.567 -15.575  -1.382
  175    HA   GLU  24           HA       GLU  24  -6.207 -13.509  -2.320
  176    HB2  GLU  24           HB2      GLU  24  -7.129 -15.510  -1.221
  177    HB3  GLU  24           HB1      GLU  24  -6.364 -15.043   0.286
  178    HG2  GLU  24           HG2      GLU  24  -7.737 -13.098   0.453
  179    HG3  GLU  24           HG1      GLU  24  -8.438 -13.420  -1.132
  180    H    ARG  25           H        ARG  25  -4.156 -13.774   0.548
  181    HA   ARG  25           HA       ARG  25  -4.853 -11.163   1.326
  182    HB2  ARG  25           HB2      ARG  25  -2.677 -12.947   2.382
  183    HB3  ARG  25           HB1      ARG  25  -2.978 -11.330   3.020
  184    HG2  ARG  25           HG2      ARG  25  -5.349 -12.023   3.421
  185    HG3  ARG  25           HG1      ARG  25  -4.874 -13.661   2.993
  186    HD2  ARG  25           HD2      ARG  25  -3.312 -13.708   4.853
  187    HD3  ARG  25           HD1      ARG  25  -3.714 -12.035   5.253
  188    HE   ARG  25           HE       ARG  25  -5.659 -14.224   5.296
  189   HH11  ARG  25          HH11      ARG  25  -4.238 -11.345   6.870
  190   HH12  ARG  25          HH12      ARG  25  -5.371 -11.307   8.139
  191   HH21  ARG  25          HH21      ARG  25  -7.209 -14.147   7.070
  192   HH22  ARG  25          HH22      ARG  25  -7.114 -12.945   8.253
  193    H    GLN  26           H        GLN  26  -2.506 -12.300  -0.848
  194    HA   GLN  26           HA       GLN  26  -0.958  -9.928  -1.043
  195    HB2  GLN  26           HB2      GLN  26  -1.677 -11.994  -3.134
  196    HB3  GLN  26           HB1      GLN  26  -0.564 -10.675  -3.436
  197    HG2  GLN  26           HG2      GLN  26   0.961 -11.556  -1.774
  198    HG3  GLN  26           HG1      GLN  26  -0.193 -12.826  -1.367
  199   HE21  GLN  26          1HE2      GLN  26   2.534 -13.024  -2.367
  200   HE22  GLN  26          2HE2      GLN  26   2.453 -13.952  -3.806
  201    H    ARG  27           H        ARG  27  -3.938 -11.040  -2.572
  202    HA   ARG  27           HA       ARG  27  -4.342  -8.720  -4.162
  203    HB2  ARG  27           HB2      ARG  27  -5.380 -10.928  -4.645
  204    HB3  ARG  27           HB1      ARG  27  -6.375 -10.755  -3.210
  205    HG2  ARG  27           HG2      ARG  27  -7.450  -8.783  -4.196
  206    HG3  ARG  27           HG1      ARG  27  -6.454  -8.967  -5.637
  207    HD2  ARG  27           HD2      ARG  27  -8.682  -9.913  -5.987
  208    HD3  ARG  27           HD1      ARG  27  -7.447 -11.165  -6.060
  209    HE   ARG  27           HE       ARG  27  -8.573 -10.867  -3.453
  210   HH11  ARG  27          HH11      ARG  27  -9.152 -12.383  -6.607
  211   HH12  ARG  27          HH12      ARG  27 -10.103 -13.648  -5.984
  212   HH21  ARG  27          HH21      ARG  27  -9.888 -12.571  -2.606
  213   HH22  ARG  27          HH22      ARG  27 -10.531 -13.765  -3.645
  214    H    ARG  28           H        ARG  28  -5.419  -9.761  -0.994
  215    HA   ARG  28           HA       ARG  28  -7.102  -7.704  -0.219
  216    HB2  ARG  28           HB2      ARG  28  -5.038  -9.210   1.380
  217    HB3  ARG  28           HB1      ARG  28  -6.146  -8.067   2.100
  218    HG2  ARG  28           HG2      ARG  28  -7.112 -10.430   0.524
  219    HG3  ARG  28           HG1      ARG  28  -6.789 -10.500   2.260
  220    HD2  ARG  28           HD2      ARG  28  -8.684  -8.580   0.914
  221    HD3  ARG  28           HD1      ARG  28  -9.150 -10.046   1.781
  222    HE   ARG  28           HE       ARG  28  -7.689  -8.774   3.603
  223   HH11  ARG  28          HH11      ARG  28 -10.301  -7.503   1.572
  224   HH12  ARG  28          HH12      ARG  28 -10.881  -6.458   2.784
  225   HH21  ARG  28          HH21      ARG  28  -8.474  -7.317   5.208
  226   HH22  ARG  28          HH22      ARG  28  -9.842  -6.355   4.901
  227    H    CYS  29           H        CYS  29  -3.585  -7.839   0.410
  228    HA   CYS  29           HA       CYS  29  -3.532  -5.158   1.202
  229    HB2  CYS  29           HB2      CYS  29  -1.374  -7.137   0.570
  230    HB3  CYS  29           HB1      CYS  29  -1.024  -5.482   1.088
  231    H    GLN  30           H        GLN  30  -3.311  -6.582  -1.919
  232    HA   GLN  30           HA       GLN  30  -2.063  -4.521  -3.360
  233    HB2  GLN  30           HB2      GLN  30  -2.606  -6.718  -4.302
  234    HB3  GLN  30           HB1      GLN  30  -4.316  -6.390  -4.112
  235    HG2  GLN  30           HG2      GLN  30  -4.054  -4.520  -5.739
  236    HG3  GLN  30           HG1      GLN  30  -2.400  -5.075  -6.015
  237   HE21  GLN  30          1HE2      GLN  30  -5.753  -5.810  -6.397
  238   HE22  GLN  30          2HE2      GLN  30  -5.574  -7.081  -7.545
  239    H    GLN  31           H        GLN  31  -5.378  -5.054  -2.321
  240    HA   GLN  31           HA       GLN  31  -6.333  -2.566  -3.455
  241    HB2  GLN  31           HB2      GLN  31  -7.782  -4.497  -1.637
  242    HB3  GLN  31           HB1      GLN  31  -8.503  -3.244  -2.633
  243    HG2  GLN  31           HG2      GLN  31  -7.115  -5.733  -3.620
  244    HG3  GLN  31           HG1      GLN  31  -8.849  -5.439  -3.595
  245   HE21  GLN  31          1HE2      GLN  31  -9.725  -4.047  -5.093
  246   HE22  GLN  31          2HE2      GLN  31  -8.893  -3.544  -6.510
  247    H    VAL  32           H        VAL  32  -6.016  -4.009  -0.219
  248    HA   VAL  32           HA       VAL  32  -6.982  -1.821   1.223
  249    HB   VAL  32           HB       VAL  32  -5.184  -4.076   2.174
  250   HG11  VAL  32          HG11      VAL  32  -4.963  -2.159   3.688
  251   HG12  VAL  32          HG12      VAL  32  -5.860  -3.471   4.456
  252   HG13  VAL  32          3HG1      VAL  32  -6.719  -2.064   3.828
  253   HG21  VAL  32          HG21      VAL  32  -8.158  -3.626   2.431
  254   HG22  VAL  32          HG22      VAL  32  -7.262  -4.975   3.128
  255   HG23  VAL  32          HG23      VAL  32  -7.370  -4.799   1.376
  256    H    CYS  33           H        CYS  33  -3.551  -2.644   0.493
  257    HA   CYS  33           HA       CYS  33  -2.631  -0.432   2.011
  258    HB2  CYS  33           HB2      CYS  33  -1.168  -1.960  -0.162
  259    HB3  CYS  33           HB1      CYS  33  -0.423  -0.799   0.928
  260    H    GLU  34           H        GLU  34  -3.879  -0.740  -1.188
  261    HA   GLU  34           HA       GLU  34  -2.872   1.727  -2.191
  262    HB2  GLU  34           HB2      GLU  34  -3.715  -0.015  -3.710
  263    HB3  GLU  34           HB1      GLU  34  -5.305   0.105  -2.980
  264    HG2  GLU  34           HG2      GLU  34  -5.556   2.358  -3.819
  265    HG3  GLU  34           HG1      GLU  34  -3.930   2.313  -4.492
  266    H    LYS  35           H        LYS  35  -5.855   0.678  -0.640
  267    HA   LYS  35           HA       LYS  35  -7.152   3.164  -0.590
  268    HB2  LYS  35           HB2      LYS  35  -7.384   0.932   1.449
  269    HB3  LYS  35           HB1      LYS  35  -8.520   2.255   1.242
  270    HG2  LYS  35           HG2      LYS  35  -8.962   1.402  -1.044
  271    HG3  LYS  35           HG1      LYS  35  -7.939   0.017  -0.656
  272    HD2  LYS  35           HD2      LYS  35  -9.392  -0.482   1.272
  273    HD3  LYS  35           HD1      LYS  35 -10.446   0.850   0.791
  274    HE2  LYS  35           HE2      LYS  35 -10.739  -0.248  -1.394
  275    HE3  LYS  35           HE1      LYS  35  -9.799  -1.611  -0.784
  276    HZ1  LYS  35           HZ1      LYS  35 -12.101  -2.123  -0.543
  277    HZ2  LYS  35           HZ2      LYS  35 -12.432  -0.662   0.183
  278    HZ3  LYS  35           HZ3      LYS  35 -11.535  -1.820   1.019
  279    H    ARG  36           H        ARG  36  -5.023   1.607   1.735
  280    HA   ARG  36           HA       ARG  36  -4.980   3.584   3.706
  281    HB2  ARG  36           HB2      ARG  36  -2.799   1.667   2.898
  282    HB3  ARG  36           HB1      ARG  36  -2.781   2.613   4.374
  283    HG2  ARG  36           HG2      ARG  36  -4.892   1.473   5.053
  284    HG3  ARG  36           HG1      ARG  36  -4.739   0.448   3.624
  285    HD2  ARG  36           HD2      ARG  36  -3.853  -0.705   5.545
  286    HD3  ARG  36           HD1      ARG  36  -2.534  -0.289   4.444
  287    HE   ARG  36           HE       ARG  36  -3.046   1.644   6.492
  288   HH11  ARG  36          HH11      ARG  36  -1.218  -1.327   5.778
  289   HH12  ARG  36          HH12      ARG  36   0.014  -0.959   6.889
  290   HH21  ARG  36          HH21      ARG  36  -1.347   2.075   8.045
  291   HH22  ARG  36          HH22      ARG  36  -0.061   0.977   8.197
  292    H    LEU  37           H        LEU  37  -3.010   3.170   0.844
  293    HA   LEU  37           HA       LEU  37  -1.214   5.278   1.231
  294    HB2  LEU  37           HB2      LEU  37  -0.971   3.398  -0.389
  295    HB3  LEU  37           HB1      LEU  37  -2.259   4.072  -1.348
  296    HG   LEU  37           HG       LEU  37   0.056   4.383  -2.265
  297   HD11  LEU  37          HD11      LEU  37  -1.457   6.910  -1.724
  298   HD12  LEU  37          HD12      LEU  37  -1.711   5.782  -3.059
  299   HD13  LEU  37          HD13      LEU  37  -0.203   6.692  -2.947
  300   HD21  LEU  37          HD21      LEU  37   1.488   6.059  -1.325
  301   HD22  LEU  37          HD22      LEU  37   1.190   4.796  -0.123
  302   HD23  LEU  37          HD23      LEU  37   0.355   6.348  -0.009
  303    H    ARG  38           H        ARG  38  -4.330   5.098  -0.407
  304    HA   ARG  38           HA       ARG  38  -4.270   7.835  -1.175
  305    HB2  ARG  38           HB2      ARG  38  -6.563   5.880  -1.193
  306    HB3  ARG  38           HB1      ARG  38  -6.605   7.491  -1.897
  307    HG2  ARG  38           HG2      ARG  38  -4.830   5.209  -2.767
  308    HG3  ARG  38           HG1      ARG  38  -6.256   5.802  -3.612
  309    HD2  ARG  38           HD2      ARG  38  -3.693   7.345  -3.127
  310    HD3  ARG  38           HD1      ARG  38  -4.200   6.630  -4.648
  311    HE   ARG  38           HE       ARG  38  -6.241   8.305  -3.914
  312   HH11  ARG  38          HH11      ARG  38  -2.819   8.669  -4.774
  313   HH12  ARG  38          HH12      ARG  38  -2.954  10.301  -5.230
  314   HH21  ARG  38          HH21      ARG  38  -6.441  10.562  -4.598
  315   HH22  ARG  38          HH22      ARG  38  -5.066  11.386  -5.150
  316    H    GLU  39           H        GLU  39  -5.350   6.203   1.704
  317    HA   GLU  39           HA       GLU  39  -7.037   8.223   2.760
  318    HB2  GLU  39           HB2      GLU  39  -5.051   6.491   4.249
  319    HB3  GLU  39           HB1      GLU  39  -6.289   7.456   5.020
  320    HG2  GLU  39           HG2      GLU  39  -7.999   6.050   3.998
  321    HG3  GLU  39           HG1      GLU  39  -6.740   5.089   3.220
  322    H    ARG  40           H        ARG  40  -3.617   7.689   2.918
  323    HA   ARG  40           HA       ARG  40  -2.772   9.914   4.371
  324    HB2  ARG  40           HB2      ARG  40  -1.433   8.594   2.031
  325    HB3  ARG  40           HB1      ARG  40  -0.659   9.676   3.166
  326    HG2  ARG  40           HG2      ARG  40  -0.889   8.055   4.929
  327    HG3  ARG  40           HG1      ARG  40  -1.847   7.008   3.873
  328    HD2  ARG  40           HD2      ARG  40   0.521   6.287   4.042
  329    HD3  ARG  40           HD1      ARG  40   0.032   6.677   2.396
  330    HE   ARG  40           HE       ARG  40   1.834   8.183   4.121
  331   HH11  ARG  40          HH11      ARG  40   0.203   7.945   0.986
  332   HH12  ARG  40          HH12      ARG  40   1.130   9.098   0.189
  333   HH21  ARG  40          HH21      ARG  40   3.253   9.740   3.007
  334   HH22  ARG  40          HH22      ARG  40   3.019  10.080   1.366
  335    H    GLU  41           H        GLU  41  -3.107   9.469   0.871
  336    HA   GLU  41           HA       GLU  41  -2.270  11.982   0.025
  337    HB2  GLU  41           HB2      GLU  41  -4.336  10.238  -1.320
  338    HB3  GLU  41           HB1      GLU  41  -3.362  11.482  -2.084
  339    HG2  GLU  41           HG2      GLU  41  -2.332   8.909  -0.898
  340    HG3  GLU  41           HG1      GLU  41  -2.556   9.245  -2.612
  341    H    GLY  42           H        GLY  42  -5.531  10.828   0.873
  342    HA2  GLY  42           HA2      GLY  42  -6.756  13.324   0.157
  343    HA3  GLY  42           HA1      GLY  42  -7.532  11.960   0.942
  344    H    ARG  43           H        ARG  43  -5.105  12.244   2.871
  345    HA   ARG  43           HA       ARG  43  -6.521  13.990   4.740
  346    HB2  ARG  43           HB2      ARG  43  -5.845  11.691   5.382
  347    HB3  ARG  43           HB1      ARG  43  -4.168  12.136   5.137
  348    HG2  ARG  43           HG2      ARG  43  -4.383  13.786   6.970
  349    HG3  ARG  43           HG1      ARG  43  -6.034  13.215   7.242
  350    HD2  ARG  43           HD2      ARG  43  -4.511  12.117   8.779
  351    HD3  ARG  43           HD1      ARG  43  -5.167  10.947   7.630
  352    HE   ARG  43           HE       ARG  43  -2.536  12.190   7.246
  353   HH11  ARG  43          HH11      ARG  43  -4.472   9.227   7.512
  354   HH12  ARG  43          HH12      ARG  43  -3.213   8.190   7.051
  355   HH21  ARG  43          HH21      ARG  43  -0.804  10.782   6.603
  356   HH22  ARG  43          HH22      ARG  43  -1.041   9.107   6.573
  357    H    ARG  44           H        ARG  44  -3.755  13.954   2.704
  358    HA   ARG  44           HA       ARG  44  -2.400  16.026   4.240
  359    HB2  ARG  44           HB2      ARG  44  -1.523  14.559   1.757
  360    HB3  ARG  44           HB1      ARG  44  -0.581  15.782   2.588
  361    HG2  ARG  44           HG2      ARG  44  -0.565  14.331   4.589
  362    HG3  ARG  44           HG1      ARG  44  -1.397  13.092   3.649
  363    HD2  ARG  44           HD2      ARG  44   1.291  14.290   2.997
  364    HD3  ARG  44           HD1      ARG  44   1.023  12.711   3.721
  365    HE   ARG  44           HE       ARG  44  -0.226  12.202   1.586
  366   HH11  ARG  44          HH11      ARG  44   2.423  14.593   1.627
  367   HH12  ARG  44          HH12      ARG  44   2.943  14.206   0.062
  368   HH21  ARG  44          HH21      ARG  44   0.573  11.682  -0.596
  369   HH22  ARG  44          HH22      ARG  44   1.883  12.574  -1.226
  370    H    GLU  45           H        GLU  45  -2.891  18.064   3.849
  371    HA   GLU  45           HA       GLU  45  -3.795  18.860   1.188
  372    HB2  GLU  45           HB2      GLU  45  -3.613  20.410   3.789
  373    HB3  GLU  45           HB1      GLU  45  -4.257  21.049   2.289
  374    HG2  GLU  45           HG2      GLU  45  -5.403  18.829   3.965
  375    HG3  GLU  45           HG1      GLU  45  -6.078  20.437   3.711
  376    H    VAL  46           H        VAL  46  -1.086  18.008   1.819
  377    HA   VAL  46           HA       VAL  46   0.374  20.237   0.731
  378    HB   VAL  46           HB       VAL  46   0.640  20.488   3.194
  379   HG11  VAL  46          HG11      VAL  46   1.815  17.722   3.141
  380   HG12  VAL  46          HG12      VAL  46   0.297  18.211   3.888
  381   HG13  VAL  46          3HG1      VAL  46   1.828  18.818   4.526
  382   HG21  VAL  46          HG21      VAL  46   3.096  20.522   3.312
  383   HG22  VAL  46          HG22      VAL  46   2.510  21.159   1.771
  384   HG23  VAL  46          HG23      VAL  46   3.170  19.528   1.856
  385    H    ASP  47           H        ASP  47   2.259  19.499  -0.347
  386    HA   ASP  47           HA       ASP  47   2.519  16.598  -0.596
  387    HB2  ASP  47           HB2      ASP  47   1.544  17.402  -2.667
  388    HB3  ASP  47           HB1      ASP  47   2.740  18.690  -2.774
  Start of MODEL   14
    1    H2   PRO   1           HT1      PRO   1   6.672   6.298   3.289
    2    H3   PRO   1           HT2      PRO   1   7.454   5.697   4.554
    3    HA   PRO   1           HA       PRO   1   8.171   7.565   4.907
    4    HB2  PRO   1           HB2      PRO   1  10.057   8.170   3.075
    5    HB3  PRO   1           HB1      PRO   1  10.305   6.978   4.361
    6    HG2  PRO   1           HG2      PRO   1   9.802   6.559   1.484
    7    HG3  PRO   1           HG1      PRO   1  10.616   5.505   2.647
    8    HD2  PRO   1           HD2      PRO   1   7.965   5.256   1.682
    9    HD3  PRO   1           HD1      PRO   1   8.690   4.331   3.002
   10    H    ARG   2           H        ARG   2   8.997   9.730   3.441
   11    HA   ARG   2           HA       ARG   2   6.649  10.369   1.852
   12    HB2  ARG   2           HB2      ARG   2   8.689  12.133   3.239
   13    HB3  ARG   2           HB1      ARG   2   7.401  12.727   2.201
   14    HG2  ARG   2           HG2      ARG   2   5.722  11.903   3.711
   15    HG3  ARG   2           HG1      ARG   2   6.953  11.140   4.715
   16    HD2  ARG   2           HD2      ARG   2   6.159  13.238   5.686
   17    HD3  ARG   2           HD1      ARG   2   7.870  13.319   5.281
   18    HE   ARG   2           HE       ARG   2   6.814  14.397   3.114
   19   HH11  ARG   2          HH11      ARG   2   6.007  15.010   6.532
   20   HH12  ARG   2          HH12      ARG   2   5.592  16.641   6.270
   21   HH21  ARG   2          HH21      ARG   2   6.287  16.691   2.794
   22   HH22  ARG   2          HH22      ARG   2   5.764  17.607   4.123
   23    H    GLY   3           H        GLY   3   7.413  12.109   0.057
   24    HA2  GLY   3           HA2      GLY   3   8.898  12.554  -1.700
   25    HA3  GLY   3           HA1      GLY   3   9.964  11.294  -1.084
   26    H    SER   4           H        SER   4   9.038   9.080  -1.173
   27    HA   SER   4           HA       SER   4   7.403   8.743  -3.569
   28    HB2  SER   4           HB2      SER   4   9.601   6.929  -2.541
   29    HB3  SER   4           HB1      SER   4   8.598   6.610  -3.957
   30    HG   SER   4           HG       SER   4  10.125   8.955  -3.649
   31    HA   PRO   5           HA       PRO   5   5.025   6.861  -0.220
   32    HB2  PRO   5           HB2      PRO   5   2.585   7.564  -1.093
   33    HB3  PRO   5           HB1      PRO   5   3.645   8.712  -0.272
   34    HG2  PRO   5           HG2      PRO   5   3.040   8.437  -3.174
   35    HG3  PRO   5           HG1      PRO   5   3.309   9.897  -2.208
   36    HD2  PRO   5           HD2      PRO   5   5.194   8.678  -3.848
   37    HD3  PRO   5           HD1      PRO   5   5.559   9.828  -2.548
   38    H    ARG   6           H        ARG   6   4.901   6.425  -3.674
   39    HA   ARG   6           HA       ARG   6   2.961   4.331  -3.682
   40    HB2  ARG   6           HB2      ARG   6   5.106   4.821  -5.764
   41    HB3  ARG   6           HB1      ARG   6   3.634   3.893  -5.974
   42    HG2  ARG   6           HG2      ARG   6   3.776   6.864  -5.487
   43    HG3  ARG   6           HG1      ARG   6   3.504   6.089  -7.043
   44    HD2  ARG   6           HD2      ARG   6   1.382   5.203  -6.263
   45    HD3  ARG   6           HD1      ARG   6   1.684   5.833  -4.638
   46    HE   ARG   6           HE       ARG   6   1.885   7.884  -6.538
   47   HH11  ARG   6          HH11      ARG   6  -0.686   5.944  -5.010
   48   HH12  ARG   6          HH12      ARG   6  -1.816   7.222  -5.016
   49   HH21  ARG   6          HH21      ARG   6   0.304   9.581  -6.587
   50   HH22  ARG   6          HH22      ARG   6  -1.257   9.309  -5.956
   51    H    THR   7           H        THR   7   6.443   4.481  -3.315
   52    HA   THR   7           HA       THR   7   6.861   1.705  -3.545
   53    HB   THR   7           HB       THR   7   9.071   2.308  -2.484
   54    HG1  THR   7           HG1      THR   7   9.426   4.368  -1.972
   55   HG21  THR   7          HG21      THR   7   9.834   3.556  -4.465
   56   HG22  THR   7          HG22      THR   7   8.149   3.857  -4.898
   57   HG23  THR   7          HG23      THR   7   8.782   2.210  -4.896
   58    H    GLU   8           H        GLU   8   5.995   3.848  -0.958
   59    HA   GLU   8           HA       GLU   8   6.535   2.092   1.229
   60    HB2  GLU   8           HB2      GLU   8   6.097   4.570   1.421
   61    HB3  GLU   8           HB1      GLU   8   4.416   4.238   1.044
   62    HG2  GLU   8           HG2      GLU   8   4.302   2.780   3.036
   63    HG3  GLU   8           HG1      GLU   8   5.942   3.281   3.447
   64    H    TYR   9           H        TYR   9   3.733   2.912  -0.676
   65    HA   TYR   9           HA       TYR   9   1.933   1.085   0.404
   66    HB2  TYR   9           HB2      TYR   9   0.726   2.535  -0.818
   67    HB3  TYR   9           HB1      TYR   9   2.093   2.940  -1.832
   68    HD1  TYR   9           HD1      TYR   9   2.071   2.354  -4.029
   69    HD2  TYR   9           HD2      TYR   9  -0.546   0.350  -1.377
   70    HE1  TYR   9           HE1      TYR   9   1.036   1.252  -5.929
   71    HE2  TYR   9           HE2      TYR   9  -1.618  -0.770  -3.264
   72    HH   TYR   9           HH       TYR   9  -1.931  -0.359  -5.797
   73    H    GLU  10           H        GLU  10   4.235   0.793  -2.252
   74    HA   GLU  10           HA       GLU  10   3.532  -1.810  -3.033
   75    HB2  GLU  10           HB2      GLU  10   4.998  -0.231  -4.314
   76    HB3  GLU  10           HB1      GLU  10   6.274  -0.561  -3.152
   77    HG2  GLU  10           HG2      GLU  10   6.202  -2.936  -3.780
   78    HG3  GLU  10           HG1      GLU  10   4.963  -2.542  -4.975
   79    H    ALA  11           H        ALA  11   5.870  -0.602  -0.676
   80    HA   ALA  11           HA       ALA  11   6.896  -3.083   0.134
   81    HB1  ALA  11           HB1      ALA  11   7.955  -0.927   0.655
   82    HB2  ALA  11           HB2      ALA  11   7.711  -1.908   2.098
   83    HB3  ALA  11           HB3      ALA  11   6.630  -0.556   1.756
   84    H    CYS  12           H        CYS  12   4.069  -1.294   1.111
   85    HA   CYS  12           HA       CYS  12   3.288  -2.810   3.359
   86    HB2  CYS  12           HB2      CYS  12   2.352  -0.574   2.638
   87    HB3  CYS  12           HB1      CYS  12   1.514  -1.400   1.340
   88    H    ARG  13           H        ARG  13   2.718  -3.153  -0.085
   89    HA   ARG  13           HA       ARG  13   0.948  -5.354  -0.054
   90    HB2  ARG  13           HB2      ARG  13   2.886  -4.369  -2.159
   91    HB3  ARG  13           HB1      ARG  13   1.684  -5.624  -2.420
   92    HG2  ARG  13           HG2      ARG  13  -0.085  -4.127  -2.093
   93    HG3  ARG  13           HG1      ARG  13   0.983  -2.844  -1.529
   94    HD2  ARG  13           HD2      ARG  13   0.203  -2.485  -3.859
   95    HD3  ARG  13           HD1      ARG  13   1.948  -2.624  -3.758
   96    HE   ARG  13           HE       ARG  13   1.260  -5.117  -4.326
   97   HH11  ARG  13          HH11      ARG  13   0.033  -2.101  -5.870
   98   HH12  ARG  13          HH12      ARG  13  -0.045  -2.814  -7.390
   99   HH21  ARG  13          HH21      ARG  13   1.124  -6.006  -6.457
  100   HH22  ARG  13          HH22      ARG  13   0.573  -5.065  -7.758
  101    H    VAL  14           H        VAL  14   4.439  -5.124  -0.594
  102    HA   VAL  14           HA       VAL  14   4.929  -7.887  -0.776
  103    HB   VAL  14           HB       VAL  14   6.881  -5.707   0.055
  104   HG11  VAL  14          HG11      VAL  14   7.392  -8.467  -1.052
  105   HG12  VAL  14          HG12      VAL  14   7.738  -7.924   0.589
  106   HG13  VAL  14          3HG1      VAL  14   8.623  -7.236  -0.775
  107   HG21  VAL  14          HG21      VAL  14   6.278  -6.835  -2.681
  108   HG22  VAL  14          HG22      VAL  14   7.552  -5.674  -2.308
  109   HG23  VAL  14          HG23      VAL  14   5.860  -5.222  -2.107
  110    H    ARG  15           H        ARG  15   4.788  -5.716   1.972
  111    HA   ARG  15           HA       ARG  15   5.891  -7.356   3.940
  112    HB2  ARG  15           HB2      ARG  15   5.307  -4.981   4.288
  113    HB3  ARG  15           HB1      ARG  15   3.604  -5.401   4.258
  114    HG2  ARG  15           HG2      ARG  15   4.316  -5.108   6.545
  115    HG3  ARG  15           HG1      ARG  15   3.942  -6.807   6.260
  116    HD2  ARG  15           HD2      ARG  15   5.976  -6.594   7.575
  117    HD3  ARG  15           HD1      ARG  15   6.348  -7.276   5.994
  118    HE   ARG  15           HE       ARG  15   6.603  -4.444   6.048
  119   HH11  ARG  15          HH11      ARG  15   8.337  -7.445   6.798
  120   HH12  ARG  15          HH12      ARG  15   9.875  -6.719   6.740
  121   HH21  ARG  15          HH21      ARG  15   8.755  -3.464   5.976
  122   HH22  ARG  15          HH22      ARG  15  10.110  -4.432   6.265
  123    H    CYS  16           H        CYS  16   2.509  -7.054   2.885
  124    HA   CYS  16           HA       CYS  16   1.568  -9.116   4.563
  125    HB2  CYS  16           HB2      CYS  16   0.444  -7.887   2.079
  126    HB3  CYS  16           HB1      CYS  16  -0.365  -9.206   2.914
  127    H    GLN  17           H        GLN  17   3.020  -9.159   1.419
  128    HA   GLN  17           HA       GLN  17   2.299 -11.772   0.691
  129    HB2  GLN  17           HB2      GLN  17   3.255 -10.060  -0.853
  130    HB3  GLN  17           HB1      GLN  17   4.794 -10.198  -0.038
  131    HG2  GLN  17           HG2      GLN  17   3.506 -12.544  -1.398
  132    HG3  GLN  17           HG1      GLN  17   4.467 -11.381  -2.295
  133   HE21  GLN  17          1HE2      GLN  17   6.398 -11.000  -0.136
  134   HE22  GLN  17          2HE2      GLN  17   7.325 -12.440  -0.078
  135    H    VAL  18           H        VAL  18   4.749 -10.499   2.815
  136    HA   VAL  18           HA       VAL  18   5.910 -13.132   3.247
  137    HB   VAL  18           HB       VAL  18   6.561 -10.516   4.636
  138   HG11  VAL  18          HG11      VAL  18   7.215 -12.466   5.931
  139   HG12  VAL  18          HG12      VAL  18   8.634 -11.630   5.304
  140   HG13  VAL  18          3HG1      VAL  18   8.082 -13.120   4.541
  141   HG21  VAL  18          HG21      VAL  18   8.536 -10.422   3.171
  142   HG22  VAL  18          HG22      VAL  18   7.034 -10.351   2.249
  143   HG23  VAL  18          HG23      VAL  18   7.957 -11.851   2.316
  144    H    ALA  19           H        ALA  19   4.384 -10.608   5.243
  145    HA   ALA  19           HA       ALA  19   4.324 -12.121   7.598
  146    HB1  ALA  19           HB1      ALA  19   2.951 -10.355   8.514
  147    HB2  ALA  19           HB2      ALA  19   2.646  -9.733   6.890
  148    HB3  ALA  19           HB3      ALA  19   4.275  -9.683   7.561
  149    H    GLU  20           H        GLU  20   1.738 -11.539   5.219
  150    HA   GLU  20           HA       GLU  20  -0.078 -13.170   6.796
  151    HB2  GLU  20           HB2      GLU  20  -0.493 -12.014   4.033
  152    HB3  GLU  20           HB1      GLU  20  -1.727 -12.706   5.071
  153    HG2  GLU  20           HG2      GLU  20  -0.199 -10.158   5.530
  154    HG3  GLU  20           HG1      GLU  20  -1.882 -10.299   5.052
  155    H    HIS  21           H        HIS  21   1.750 -13.279   3.844
  156    HA   HIS  21           HA       HIS  21   2.478 -14.865   2.464
  157    HB2  HIS  21           HB2      HIS  21   3.386 -15.903   4.525
  158    HB3  HIS  21           HB1      HIS  21   1.892 -16.805   4.723
  159    HD1  HIS  21           HD1      HIS  21   2.197 -19.191   3.987
  160    HD2  HIS  21           HD2      HIS  21   4.499 -16.549   1.756
  161    HE1  HIS  21           HE1      HIS  21   3.502 -20.607   2.354
  162    H    GLY  22           H        GLY  22   1.183 -14.880   0.782
  163    HA2  GLY  22           HA2      GLY  22  -0.219 -16.880  -0.158
  164    HA3  GLY  22           HA1      GLY  22  -1.399 -16.161   0.941
  165    H    VAL  23           H        VAL  23  -1.335 -16.361  -2.009
  166    HA   VAL  23           HA       VAL  23  -0.758 -13.821  -3.126
  167    HB   VAL  23           HB       VAL  23  -2.578 -16.004  -4.200
  168   HG11  VAL  23          HG11      VAL  23  -2.239 -14.958  -6.397
  169   HG12  VAL  23          HG12      VAL  23  -1.327 -13.657  -5.634
  170   HG13  VAL  23          3HG1      VAL  23  -3.041 -13.859  -5.274
  171   HG21  VAL  23          HG21      VAL  23  -0.290 -16.773  -3.852
  172   HG22  VAL  23          HG22      VAL  23   0.321 -15.409  -4.785
  173   HG23  VAL  23          HG23      VAL  23  -0.654 -16.646  -5.572
  174    H    GLU  24           H        GLU  24  -3.731 -15.305  -1.964
  175    HA   GLU  24           HA       GLU  24  -5.440 -13.164  -2.736
  176    HB2  GLU  24           HB2      GLU  24  -5.927 -15.154  -0.488
  177    HB3  GLU  24           HB1      GLU  24  -7.122 -14.114  -1.220
  178    HG2  GLU  24           HG2      GLU  24  -7.459 -16.301  -2.060
  179    HG3  GLU  24           HG1      GLU  24  -6.784 -15.332  -3.364
  180    H    ARG  25           H        ARG  25  -3.640 -13.942   0.107
  181    HA   ARG  25           HA       ARG  25  -4.568 -11.851   1.773
  182    HB2  ARG  25           HB2      ARG  25  -1.947 -13.358   1.785
  183    HB3  ARG  25           HB1      ARG  25  -2.471 -12.264   3.057
  184    HG2  ARG  25           HG2      ARG  25  -3.911 -14.789   2.240
  185    HG3  ARG  25           HG1      ARG  25  -2.849 -14.613   3.643
  186    HD2  ARG  25           HD2      ARG  25  -4.312 -12.930   4.563
  187    HD3  ARG  25           HD1      ARG  25  -5.361 -13.024   3.152
  188    HE   ARG  25           HE       ARG  25  -5.224 -15.556   4.234
  189   HH11  ARG  25          HH11      ARG  25  -6.292 -12.341   5.195
  190   HH12  ARG  25          HH12      ARG  25  -7.547 -12.886   6.214
  191   HH21  ARG  25          HH21      ARG  25  -6.954 -16.341   5.667
  192   HH22  ARG  25          HH22      ARG  25  -7.921 -15.230   6.498
  193    H    GLN  26           H        GLN  26  -1.780 -12.112  -0.368
  194    HA   GLN  26           HA       GLN  26  -0.724  -9.549   0.045
  195    HB2  GLN  26           HB2      GLN  26   0.538 -11.327  -1.007
  196    HB3  GLN  26           HB1      GLN  26  -0.608 -11.395  -2.333
  197    HG2  GLN  26           HG2      GLN  26   0.060  -9.123  -2.990
  198    HG3  GLN  26           HG1      GLN  26   1.258  -9.123  -1.696
  199   HE21  GLN  26          1HE2      GLN  26   2.943  -8.903  -3.199
  200   HE22  GLN  26          2HE2      GLN  26   3.458 -10.230  -4.163
  201    H    ARG  27           H        ARG  27  -3.004 -10.789  -2.370
  202    HA   ARG  27           HA       ARG  27  -3.354  -8.416  -3.797
  203    HB2  ARG  27           HB2      ARG  27  -4.086 -10.557  -4.690
  204    HB3  ARG  27           HB1      ARG  27  -5.286 -10.703  -3.414
  205    HG2  ARG  27           HG2      ARG  27  -6.449  -8.735  -4.280
  206    HG3  ARG  27           HG1      ARG  27  -5.253  -8.601  -5.568
  207    HD2  ARG  27           HD2      ARG  27  -5.901 -10.730  -6.454
  208    HD3  ARG  27           HD1      ARG  27  -7.015 -11.001  -5.114
  209    HE   ARG  27           HE       ARG  27  -7.705  -8.613  -6.337
  210   HH11  ARG  27          HH11      ARG  27  -7.639 -12.040  -7.155
  211   HH12  ARG  27          HH12      ARG  27  -8.963 -11.974  -8.220
  212   HH21  ARG  27          HH21      ARG  27  -9.536  -8.486  -7.770
  213   HH22  ARG  27          HH22      ARG  27 -10.093  -9.894  -8.561
  214    H    ARG  28           H        ARG  28  -5.076  -9.665  -0.967
  215    HA   ARG  28           HA       ARG  28  -7.027  -7.644  -0.829
  216    HB2  ARG  28           HB2      ARG  28  -7.053  -9.717   0.551
  217    HB3  ARG  28           HB1      ARG  28  -5.738  -9.051   1.514
  218    HG2  ARG  28           HG2      ARG  28  -7.212  -7.116   2.066
  219    HG3  ARG  28           HG1      ARG  28  -8.526  -7.954   1.242
  220    HD2  ARG  28           HD2      ARG  28  -7.002  -8.910   3.650
  221    HD3  ARG  28           HD1      ARG  28  -8.666  -8.327   3.623
  222    HE   ARG  28           HE       ARG  28  -8.180 -10.548   1.894
  223   HH11  ARG  28          HH11      ARG  28  -9.016  -9.629   5.227
  224   HH12  ARG  28          HH12      ARG  28  -9.747 -11.129   5.552
  225   HH21  ARG  28          HH21      ARG  28  -9.130 -12.580   2.411
  226   HH22  ARG  28          HH22      ARG  28  -9.826 -12.824   3.953
  227    H    CYS  29           H        CYS  29  -3.810  -7.900   0.677
  228    HA   CYS  29           HA       CYS  29  -3.908  -5.368   1.828
  229    HB2  CYS  29           HB2      CYS  29  -1.639  -7.190   1.140
  230    HB3  CYS  29           HB1      CYS  29  -1.373  -5.603   1.857
  231    H    GLN  30           H        GLN  30  -2.991  -6.408  -1.387
  232    HA   GLN  30           HA       GLN  30  -1.896  -3.992  -2.279
  233    HB2  GLN  30           HB2      GLN  30  -1.870  -5.987  -3.694
  234    HB3  GLN  30           HB1      GLN  30  -3.626  -5.951  -3.800
  235    HG2  GLN  30           HG2      GLN  30  -3.473  -3.756  -4.927
  236    HG3  GLN  30           HG1      GLN  30  -1.720  -3.898  -4.897
  237   HE21  GLN  30          1HE2      GLN  30  -1.779  -6.792  -5.467
  238   HE22  GLN  30          2HE2      GLN  30  -2.196  -6.923  -7.115
  239    H    GLN  31           H        GLN  31  -5.229  -4.997  -1.992
  240    HA   GLN  31           HA       GLN  31  -6.301  -2.603  -3.104
  241    HB2  GLN  31           HB2      GLN  31  -7.636  -4.525  -1.196
  242    HB3  GLN  31           HB1      GLN  31  -8.436  -3.358  -2.230
  243    HG2  GLN  31           HG2      GLN  31  -6.960  -5.840  -3.074
  244    HG3  GLN  31           HG1      GLN  31  -8.693  -5.541  -3.162
  245   HE21  GLN  31          1HE2      GLN  31  -5.656  -5.064  -4.635
  246   HE22  GLN  31          2HE2      GLN  31  -6.219  -4.317  -6.088
  247    H    VAL  32           H        VAL  32  -5.980  -3.820   0.205
  248    HA   VAL  32           HA       VAL  32  -7.009  -1.598   1.539
  249    HB   VAL  32           HB       VAL  32  -4.952  -3.585   2.561
  250   HG11  VAL  32          HG11      VAL  32  -5.000  -1.581   3.953
  251   HG12  VAL  32          HG12      VAL  32  -5.710  -2.952   4.805
  252   HG13  VAL  32          3HG1      VAL  32  -6.752  -1.715   4.103
  253   HG21  VAL  32          HG21      VAL  32  -6.877  -4.715   3.576
  254   HG22  VAL  32          HG22      VAL  32  -7.012  -4.653   1.818
  255   HG23  VAL  32          HG23      VAL  32  -7.957  -3.547   2.814
  256    H    CYS  33           H        CYS  33  -3.586  -2.345   0.819
  257    HA   CYS  33           HA       CYS  33  -2.660   0.035   2.034
  258    HB2  CYS  33           HB2      CYS  33  -1.231  -1.705   0.006
  259    HB3  CYS  33           HB1      CYS  33  -0.483  -0.499   1.046
  260    H    GLU  34           H        GLU  34  -3.867  -0.697  -1.161
  261    HA   GLU  34           HA       GLU  34  -2.801   1.662  -2.368
  262    HB2  GLU  34           HB2      GLU  34  -3.600  -0.448  -3.592
  263    HB3  GLU  34           HB1      GLU  34  -5.227   0.110  -3.270
  264    HG2  GLU  34           HG2      GLU  34  -4.897   2.066  -4.593
  265    HG3  GLU  34           HG1      GLU  34  -3.183   1.696  -4.787
  266    H    LYS  35           H        LYS  35  -5.789   0.685  -0.837
  267    HA   LYS  35           HA       LYS  35  -7.212   3.074  -1.169
  268    HB2  LYS  35           HB2      LYS  35  -8.188   0.901  -0.410
  269    HB3  LYS  35           HB1      LYS  35  -7.368   1.119   1.128
  270    HG2  LYS  35           HG2      LYS  35  -8.695   3.103   1.586
  271    HG3  LYS  35           HG1      LYS  35  -9.471   2.971   0.009
  272    HD2  LYS  35           HD2      LYS  35 -10.970   2.073   1.650
  273    HD3  LYS  35           HD1      LYS  35 -10.335   0.730   0.703
  274    HE2  LYS  35           HE2      LYS  35 -10.324   0.061   2.966
  275    HE3  LYS  35           HE1      LYS  35  -8.647   0.376   2.538
  276    HZ1  LYS  35           HZ1      LYS  35 -10.477   2.041   4.137
  277    HZ2  LYS  35           HZ2      LYS  35  -9.052   2.678   3.545
  278    HZ3  LYS  35           HZ3      LYS  35  -9.017   1.376   4.629
  279    H    ARG  36           H        ARG  36  -5.113   1.918   1.447
  280    HA   ARG  36           HA       ARG  36  -5.112   4.104   3.156
  281    HB2  ARG  36           HB2      ARG  36  -2.832   2.277   2.413
  282    HB3  ARG  36           HB1      ARG  36  -2.694   3.501   3.657
  283    HG2  ARG  36           HG2      ARG  36  -4.425   2.419   4.948
  284    HG3  ARG  36           HG1      ARG  36  -4.649   1.216   3.671
  285    HD2  ARG  36           HD2      ARG  36  -3.299   0.370   5.514
  286    HD3  ARG  36           HD1      ARG  36  -2.380   0.424   4.012
  287    HE   ARG  36           HE       ARG  36  -1.882   2.795   5.370
  288   HH11  ARG  36          HH11      ARG  36  -1.319  -0.671   5.898
  289   HH12  ARG  36          HH12      ARG  36   0.071  -0.454   6.836
  290   HH21  ARG  36          HH21      ARG  36   0.071   3.084   6.692
  291   HH22  ARG  36          HH22      ARG  36   0.866   1.699   7.296
  292    H    LEU  37           H        LEU  37  -3.069   3.557   0.341
  293    HA   LEU  37           HA       LEU  37  -1.619   5.959   0.598
  294    HB2  LEU  37           HB2      LEU  37  -1.248   3.672  -0.758
  295    HB3  LEU  37           HB1      LEU  37  -1.943   4.618  -2.043
  296    HG   LEU  37           HG       LEU  37   0.527   4.579  -2.089
  297   HD11  LEU  37          HD11      LEU  37  -0.617   6.439  -3.083
  298   HD12  LEU  37          HD12      LEU  37   0.925   6.919  -2.387
  299   HD13  LEU  37          HD13      LEU  37  -0.588   7.314  -1.546
  300   HD21  LEU  37          HD21      LEU  37   1.817   5.737  -0.424
  301   HD22  LEU  37          HD22      LEU  37   0.878   4.447   0.326
  302   HD23  LEU  37          HD23      LEU  37   0.361   6.125   0.485
  303    H    ARG  38           H        ARG  38  -4.457   5.023  -1.266
  304    HA   ARG  38           HA       ARG  38  -4.692   7.465  -2.660
  305    HB2  ARG  38           HB2      ARG  38  -5.673   5.305  -3.388
  306    HB3  ARG  38           HB1      ARG  38  -6.815   5.405  -2.063
  307    HG2  ARG  38           HG2      ARG  38  -7.886   7.301  -3.045
  308    HG3  ARG  38           HG1      ARG  38  -6.633   7.429  -4.283
  309    HD2  ARG  38           HD2      ARG  38  -8.513   5.096  -3.918
  310    HD3  ARG  38           HD1      ARG  38  -8.643   6.337  -5.168
  311    HE   ARG  38           HE       ARG  38  -6.272   5.533  -5.735
  312   HH11  ARG  38          HH11      ARG  38  -8.950   3.420  -4.762
  313   HH12  ARG  38          HH12      ARG  38  -8.347   2.055  -5.584
  314   HH21  ARG  38          HH21      ARG  38  -5.467   3.639  -6.847
  315   HH22  ARG  38          HH22      ARG  38  -6.285   2.156  -6.721
  316    H    GLU  39           H        GLU  39  -6.060   6.287   0.382
  317    HA   GLU  39           HA       GLU  39  -7.627   8.595   0.863
  318    HB2  GLU  39           HB2      GLU  39  -6.540   6.518   2.771
  319    HB3  GLU  39           HB1      GLU  39  -7.606   7.819   3.276
  320    HG2  GLU  39           HG2      GLU  39  -9.327   6.977   1.730
  321    HG3  GLU  39           HG1      GLU  39  -8.256   5.648   1.293
  322    H    ARG  40           H        ARG  40  -4.316   7.796   1.375
  323    HA   ARG  40           HA       ARG  40  -3.581   9.988   3.022
  324    HB2  ARG  40           HB2      ARG  40  -2.136   8.038   2.783
  325    HB3  ARG  40           HB1      ARG  40  -2.008   8.306   1.060
  326    HG2  ARG  40           HG2      ARG  40  -0.706  10.329   1.464
  327    HG3  ARG  40           HG1      ARG  40  -0.862  10.084   3.209
  328    HD2  ARG  40           HD2      ARG  40   0.316   7.981   3.068
  329    HD3  ARG  40           HD1      ARG  40   0.354   8.083   1.313
  330    HE   ARG  40           HE       ARG  40   1.635  10.325   2.143
  331   HH11  ARG  40          HH11      ARG  40   2.071   6.885   2.882
  332   HH12  ARG  40          HH12      ARG  40   3.762   6.942   2.990
  333   HH21  ARG  40          HH21      ARG  40   4.016  10.407   2.193
  334   HH22  ARG  40          HH22      ARG  40   4.890   8.980   2.548
  335    H    GLU  41           H        GLU  41  -3.754   9.488  -0.455
  336    HA   GLU  41           HA       GLU  41  -2.904  12.068  -1.244
  337    HB2  GLU  41           HB2      GLU  41  -4.790  10.155  -2.628
  338    HB3  GLU  41           HB1      GLU  41  -4.011  11.540  -3.378
  339    HG2  GLU  41           HG2      GLU  41  -1.835  10.515  -3.030
  340    HG3  GLU  41           HG1      GLU  41  -2.609   9.136  -2.250
  341    H    GLY  42           H        GLY  42  -5.936  10.709  -0.257
  342    HA2  GLY  42           HA2      GLY  42  -7.595  12.943  -0.882
  343    HA3  GLY  42           HA1      GLY  42  -7.998  11.628   0.211
  344    H    ARG  43           H        ARG  43  -5.518  12.158   1.762
  345    HA   ARG  43           HA       ARG  43  -6.601  14.161   3.534
  346    HB2  ARG  43           HB2      ARG  43  -4.013  12.604   3.674
  347    HB3  ARG  43           HB1      ARG  43  -4.550  13.728   4.908
  348    HG2  ARG  43           HG2      ARG  43  -5.948  11.181   4.095
  349    HG3  ARG  43           HG1      ARG  43  -4.991  11.431   5.556
  350    HD2  ARG  43           HD2      ARG  43  -7.551  12.856   4.838
  351    HD3  ARG  43           HD1      ARG  43  -7.372  11.582   6.037
  352    HE   ARG  43           HE       ARG  43  -5.604  13.487   6.828
  353   HH11  ARG  43          HH11      ARG  43  -9.068  13.506   6.149
  354   HH12  ARG  43          HH12      ARG  43  -9.449  14.679   7.311
  355   HH21  ARG  43          HH21      ARG  43  -6.113  15.202   8.408
  356   HH22  ARG  43          HH22      ARG  43  -7.735  15.650   8.599
  357    H    ARG  44           H        ARG  44  -4.228  13.979   1.079
  358    HA   ARG  44           HA       ARG  44  -2.796  16.349   1.659
  359    HB2  ARG  44           HB2      ARG  44  -3.327  15.011  -0.992
  360    HB3  ARG  44           HB1      ARG  44  -2.204  16.336  -0.752
  361    HG2  ARG  44           HG2      ARG  44  -0.853  14.914   0.706
  362    HG3  ARG  44           HG1      ARG  44  -1.994  13.588   0.449
  363    HD2  ARG  44           HD2      ARG  44  -1.554  13.644  -1.938
  364    HD3  ARG  44           HD1      ARG  44  -0.464  15.007  -1.718
  365    HE   ARG  44           HE       ARG  44   0.478  13.006  -0.102
  366   HH11  ARG  44          HH11      ARG  44  -0.127  13.388  -3.585
  367   HH12  ARG  44          HH12      ARG  44   1.185  12.414  -4.030
  368   HH21  ARG  44          HH21      ARG  44   2.310  11.683  -0.784
  369   HH22  ARG  44          HH22      ARG  44   2.557  11.476  -2.478
  370    H    GLU  45           H        GLU  45  -3.062  18.409   0.779
  371    HA   GLU  45           HA       GLU  45  -5.785  18.982  -0.099
  372    HB2  GLU  45           HB2      GLU  45  -3.640  20.866   0.923
  373    HB3  GLU  45           HB1      GLU  45  -5.306  21.277   0.563
  374    HG2  GLU  45           HG2      GLU  45  -6.091  19.919   2.386
  375    HG3  GLU  45           HG1      GLU  45  -4.447  19.372   2.722
  376    H    VAL  46           H        VAL  46  -5.754  18.746  -2.258
  377    HA   VAL  46           HA       VAL  46  -3.392  19.329  -3.746
  378    HB   VAL  46           HB       VAL  46  -4.673  18.755  -5.790
  379   HG11  VAL  46          HG11      VAL  46  -5.071  16.391  -5.240
  380   HG12  VAL  46          HG12      VAL  46  -4.969  16.793  -3.526
  381   HG13  VAL  46          3HG1      VAL  46  -3.560  16.999  -4.563
  382   HG21  VAL  46          HG21      VAL  46  -6.998  18.296  -3.913
  383   HG22  VAL  46          HG22      VAL  46  -6.969  17.907  -5.631
  384   HG23  VAL  46          HG23      VAL  46  -6.888  19.588  -5.104
  385    H    ASP  47           H        ASP  47  -2.843  21.018  -4.855
  386    HA   ASP  47           HA       ASP  47  -4.676  23.293  -4.817
  387    HB2  ASP  47           HB2      ASP  47  -2.919  23.636  -3.172
  388    HB3  ASP  47           HB1      ASP  47  -1.684  23.279  -4.371
  Start of MODEL   15
    1    H2   PRO   1           HT1      PRO   1   9.146  14.041   5.789
    2    H3   PRO   1           HT2      PRO   1   9.925  15.410   6.224
    3    HA   PRO   1           HA       PRO   1   9.240  16.209   4.426
    4    HB2  PRO   1           HB2      PRO   1  10.686  14.681   2.505
    5    HB3  PRO   1           HB1      PRO   1  11.099  16.275   3.148
    6    HG2  PRO   1           HG2      PRO   1  12.525  13.974   3.665
    7    HG3  PRO   1           HG1      PRO   1  12.539  15.424   4.683
    8    HD2  PRO   1           HD2      PRO   1  11.009  12.873   5.039
    9    HD3  PRO   1           HD1      PRO   1  11.808  13.877   6.267
   10    H    ARG   2           H        ARG   2   8.544  15.461   1.981
   11    HA   ARG   2           HA       ARG   2   7.066  12.971   2.269
   12    HB2  ARG   2           HB2      ARG   2   5.076  13.972   1.299
   13    HB3  ARG   2           HB1      ARG   2   5.527  14.838   2.753
   14    HG2  ARG   2           HG2      ARG   2   6.560  16.580   1.305
   15    HG3  ARG   2           HG1      ARG   2   5.919  15.722  -0.097
   16    HD2  ARG   2           HD2      ARG   2   4.364  16.993   2.155
   17    HD3  ARG   2           HD1      ARG   2   4.403  17.492   0.466
   18    HE   ARG   2           HE       ARG   2   3.501  14.831   0.649
   19   HH11  ARG   2          HH11      ARG   2   2.381  18.139   1.241
   20   HH12  ARG   2          HH12      ARG   2   0.729  17.751   1.153
   21   HH21  ARG   2          HH21      ARG   2   1.245  14.293   0.551
   22   HH22  ARG   2          HH22      ARG   2   0.070  15.502   0.762
   23    H    GLY   3           H        GLY   3   6.206  12.275   0.068
   24    HA2  GLY   3           HA2      GLY   3   7.260  13.234  -2.294
   25    HA3  GLY   3           HA1      GLY   3   8.362  12.006  -1.663
   26    H    SER   4           H        SER   4   7.900  10.561  -3.305
   27    HA   SER   4           HA       SER   4   5.398   9.722  -4.125
   28    HB2  SER   4           HB2      SER   4   7.944   8.111  -3.953
   29    HB3  SER   4           HB1      SER   4   6.581   7.813  -5.037
   30    HG   SER   4           HG       SER   4   7.092  10.205  -5.561
   31    HA   PRO   5           HA       PRO   5   4.350   7.788  -0.190
   32    HB2  PRO   5           HB2      PRO   5   1.740   7.595  -0.631
   33    HB3  PRO   5           HB1      PRO   5   2.506   9.162  -0.306
   34    HG2  PRO   5           HG2      PRO   5   1.631   7.953  -2.893
   35    HG3  PRO   5           HG1      PRO   5   1.449   9.623  -2.329
   36    HD2  PRO   5           HD2      PRO   5   3.403   8.785  -4.047
   37    HD3  PRO   5           HD1      PRO   5   3.563  10.190  -2.972
   38    H    ARG   6           H        ARG   6   4.266   6.551  -3.219
   39    HA   ARG   6           HA       ARG   6   2.870   4.126  -2.961
   40    HB2  ARG   6           HB2      ARG   6   4.134   3.350  -4.891
   41    HB3  ARG   6           HB1      ARG   6   3.481   4.977  -5.132
   42    HG2  ARG   6           HG2      ARG   6   5.700   5.883  -4.610
   43    HG3  ARG   6           HG1      ARG   6   6.296   4.232  -4.439
   44    HD2  ARG   6           HD2      ARG   6   5.683   3.800  -6.786
   45    HD3  ARG   6           HD1      ARG   6   5.183   5.488  -6.940
   46    HE   ARG   6           HE       ARG   6   7.817   5.255  -5.943
   47   HH11  ARG   6          HH11      ARG   6   5.956   5.177  -8.961
   48   HH12  ARG   6          HH12      ARG   6   7.303   5.521  -9.949
   49   HH21  ARG   6          HH21      ARG   6   9.656   5.712  -7.338
   50   HH22  ARG   6          HH22      ARG   6   9.419   5.818  -9.023
   51    H    THR   7           H        THR   7   5.903   5.070  -1.793
   52    HA   THR   7           HA       THR   7   7.149   2.591  -1.448
   53    HB   THR   7           HB       THR   7   8.363   4.730  -1.126
   54    HG1  THR   7           HG1      THR   7   9.103   3.983   1.234
   55   HG21  THR   7          HG21      THR   7   6.834   4.936   1.481
   56   HG22  THR   7          HG22      THR   7   6.653   6.003   0.089
   57   HG23  THR   7          HG23      THR   7   8.168   5.984   0.993
   58    H    GLU   8           H        GLU   8   4.609   4.128   0.450
   59    HA   GLU   8           HA       GLU   8   4.637   2.288   2.637
   60    HB2  GLU   8           HB2      GLU   8   3.568   4.455   2.907
   61    HB3  GLU   8           HB1      GLU   8   2.521   4.150   1.529
   62    HG2  GLU   8           HG2      GLU   8   1.394   2.384   2.751
   63    HG3  GLU   8           HG1      GLU   8   2.447   2.646   4.140
   64    H    TYR   9           H        TYR   9   2.883   2.646  -0.347
   65    HA   TYR   9           HA       TYR   9   0.996   0.656  -0.143
   66    HB2  TYR   9           HB2      TYR   9   0.695   2.455  -1.577
   67    HB3  TYR   9           HB1      TYR   9   2.304   2.299  -2.243
   68    HD1  TYR   9           HD1      TYR   9   2.763   0.667  -3.861
   69    HD2  TYR   9           HD2      TYR   9  -1.117   1.292  -2.460
   70    HE1  TYR   9           HE1      TYR   9   1.912  -0.453  -5.895
   71    HE2  TYR   9           HE2      TYR   9  -2.069   0.206  -4.442
   72    HH   TYR   9           HH       TYR   9  -1.149  -0.073  -6.873
   73    H    GLU  10           H        GLU  10   4.154   0.725  -1.790
   74    HA   GLU  10           HA       GLU  10   3.949  -1.893  -2.801
   75    HB2  GLU  10           HB2      GLU  10   5.423  -0.037  -3.675
   76    HB3  GLU  10           HB1      GLU  10   6.501  -0.362  -2.322
   77    HG2  GLU  10           HG2      GLU  10   7.269  -1.454  -4.341
   78    HG3  GLU  10           HG1      GLU  10   6.809  -2.651  -3.117
   79    H    ALA  11           H        ALA  11   5.532  -0.527   0.053
   80    HA   ALA  11           HA       ALA  11   6.778  -2.855   0.974
   81    HB1  ALA  11           HB1      ALA  11   5.648  -0.589   2.616
   82    HB2  ALA  11           HB2      ALA  11   7.250  -0.618   1.885
   83    HB3  ALA  11           HB3      ALA  11   6.843  -1.766   3.163
   84    H    CYS  12           H        CYS  12   3.558  -1.623   1.368
   85    HA   CYS  12           HA       CYS  12   2.546  -3.381   3.285
   86    HB2  CYS  12           HB2      CYS  12   1.424  -1.336   2.557
   87    HB3  CYS  12           HB1      CYS  12   1.176  -2.025   0.965
   88    H    ARG  13           H        ARG  13   2.842  -3.691  -0.237
   89    HA   ARG  13           HA       ARG  13   1.355  -6.117  -0.348
   90    HB2  ARG  13           HB2      ARG  13   3.211  -4.902  -2.405
   91    HB3  ARG  13           HB1      ARG  13   2.188  -6.306  -2.680
   92    HG2  ARG  13           HG2      ARG  13   0.229  -4.830  -2.078
   93    HG3  ARG  13           HG1      ARG  13   1.347  -3.473  -2.171
   94    HD2  ARG  13           HD2      ARG  13   0.794  -5.419  -4.410
   95    HD3  ARG  13           HD1      ARG  13   0.036  -3.849  -4.238
   96    HE   ARG  13           HE       ARG  13   2.921  -3.703  -4.351
   97   HH11  ARG  13          HH11      ARG  13   0.018  -4.063  -6.336
   98   HH12  ARG  13          HH12      ARG  13   0.658  -3.218  -7.665
   99   HH21  ARG  13          HH21      ARG  13   3.814  -2.589  -6.193
  100   HH22  ARG  13          HH22      ARG  13   2.841  -2.358  -7.575
  101    H    VAL  14           H        VAL  14   4.754  -5.319  -0.181
  102    HA   VAL  14           HA       VAL  14   5.689  -8.004  -0.434
  103    HB   VAL  14           HB       VAL  14   7.030  -5.679   0.994
  104   HG11  VAL  14          HG11      VAL  14   8.221  -8.190  -0.180
  105   HG12  VAL  14          HG12      VAL  14   8.015  -7.848   1.535
  106   HG13  VAL  14          3HG1      VAL  14   9.121  -6.869   0.571
  107   HG21  VAL  14          HG21      VAL  14   8.241  -5.295  -1.107
  108   HG22  VAL  14          HG22      VAL  14   6.502  -5.072  -1.304
  109   HG23  VAL  14          HG23      VAL  14   7.275  -6.550  -1.879
  110    H    ARG  15           H        ARG  15   4.982  -5.900   2.303
  111    HA   ARG  15           HA       ARG  15   5.689  -7.425   4.472
  112    HB2  ARG  15           HB2      ARG  15   4.818  -5.104   4.538
  113    HB3  ARG  15           HB1      ARG  15   3.208  -5.733   4.233
  114    HG2  ARG  15           HG2      ARG  15   3.485  -7.100   6.340
  115    HG3  ARG  15           HG1      ARG  15   4.916  -6.118   6.668
  116    HD2  ARG  15           HD2      ARG  15   3.111  -5.087   7.817
  117    HD3  ARG  15           HD1      ARG  15   3.454  -4.105   6.396
  118    HE   ARG  15           HE       ARG  15   1.357  -6.119   6.178
  119   HH11  ARG  15          HH11      ARG  15   2.184  -2.699   6.485
  120   HH12  ARG  15          HH12      ARG  15   0.665  -2.110   6.032
  121   HH21  ARG  15          HH21      ARG  15  -0.766  -5.370   5.583
  122   HH22  ARG  15          HH22      ARG  15  -1.103  -3.710   5.494
  123    H    CYS  16           H        CYS  16   2.493  -7.326   2.920
  124    HA   CYS  16           HA       CYS  16   1.562  -9.424   4.550
  125    HB2  CYS  16           HB2      CYS  16   0.367  -8.143   2.118
  126    HB3  CYS  16           HB1      CYS  16  -0.443  -9.402   3.053
  127    H    GLN  17           H        GLN  17   3.201  -9.448   1.498
  128    HA   GLN  17           HA       GLN  17   2.394 -12.094   0.883
  129    HB2  GLN  17           HB2      GLN  17   3.328 -10.527  -0.807
  130    HB3  GLN  17           HB1      GLN  17   4.884 -10.611   0.006
  131    HG2  GLN  17           HG2      GLN  17   4.778 -12.009  -1.981
  132    HG3  GLN  17           HG1      GLN  17   5.084 -12.945  -0.517
  133   HE21  GLN  17          1HE2      GLN  17   2.761 -12.239  -3.020
  134   HE22  GLN  17          2HE2      GLN  17   1.704 -13.546  -2.648
  135    H    VAL  18           H        VAL  18   5.020 -10.665   2.698
  136    HA   VAL  18           HA       VAL  18   6.310 -13.175   3.211
  137    HB   VAL  18           HB       VAL  18   6.751 -10.467   4.504
  138   HG11  VAL  18          HG11      VAL  18   7.601 -12.251   5.909
  139   HG12  VAL  18          HG12      VAL  18   8.938 -11.366   5.174
  140   HG13  VAL  18          3HG1      VAL  18   8.470 -12.944   4.540
  141   HG21  VAL  18          HG21      VAL  18   8.680 -10.302   3.009
  142   HG22  VAL  18          HG22      VAL  18   7.167 -10.422   2.111
  143   HG23  VAL  18          HG23      VAL  18   8.222 -11.828   2.254
  144    H    ALA  19           H        ALA  19   4.356 -10.937   5.158
  145    HA   ALA  19           HA       ALA  19   4.510 -12.593   7.500
  146    HB1  ALA  19           HB1      ALA  19   3.104 -10.932   8.557
  147    HB2  ALA  19           HB2      ALA  19   2.757 -10.198   6.992
  148    HB3  ALA  19           HB3      ALA  19   4.394 -10.144   7.646
  149    H    GLU  20           H        GLU  20   1.802 -11.630   5.392
  150    HA   GLU  20           HA       GLU  20  -0.028 -13.367   6.731
  151    HB2  GLU  20           HB2      GLU  20  -0.322 -12.056   4.019
  152    HB3  GLU  20           HB1      GLU  20  -1.608 -12.765   4.980
  153    HG2  GLU  20           HG2      GLU  20   0.011 -10.352   5.762
  154    HG3  GLU  20           HG1      GLU  20  -1.587 -10.296   5.043
  155    H    HIS  21           H        HIS  21   1.817 -13.444   3.775
  156    HA   HIS  21           HA       HIS  21   2.613 -15.073   2.460
  157    HB2  HIS  21           HB2      HIS  21   3.163 -16.300   4.546
  158    HB3  HIS  21           HB1      HIS  21   1.555 -17.002   4.550
  159    HD1  HIS  21           HD1      HIS  21   4.959 -17.619   3.382
  160    HD2  HIS  21           HD2      HIS  21   1.145 -18.833   2.307
  161    HE1  HIS  21           HE1      HIS  21   5.258 -19.731   2.041
  162    H    GLY  22           H        GLY  22   1.511 -14.901   0.630
  163    HA2  GLY  22           HA2      GLY  22   0.091 -16.664  -0.584
  164    HA3  GLY  22           HA1      GLY  22  -1.137 -16.082   0.536
  165    H    VAL  23           H        VAL  23  -1.058 -15.992  -2.334
  166    HA   VAL  23           HA       VAL  23  -0.488 -13.354  -3.207
  167    HB   VAL  23           HB       VAL  23  -2.250 -15.448  -4.520
  168   HG11  VAL  23          HG11      VAL  23  -2.625 -13.223  -5.434
  169   HG12  VAL  23          HG12      VAL  23  -1.793 -14.244  -6.606
  170   HG13  VAL  23          3HG1      VAL  23  -0.893 -13.026  -5.702
  171   HG21  VAL  23          HG21      VAL  23  -0.267 -16.020  -5.859
  172   HG22  VAL  23          HG22      VAL  23  -0.007 -16.320  -4.139
  173   HG23  VAL  23          HG23      VAL  23   0.694 -14.893  -4.900
  174    H    GLU  24           H        GLU  24  -3.428 -15.066  -2.178
  175    HA   GLU  24           HA       GLU  24  -5.122 -12.863  -2.835
  176    HB2  GLU  24           HB2      GLU  24  -5.719 -15.128  -0.927
  177    HB3  GLU  24           HB1      GLU  24  -6.886 -14.025  -1.631
  178    HG2  GLU  24           HG2      GLU  24  -6.277 -14.879  -3.868
  179    HG3  GLU  24           HG1      GLU  24  -5.252 -16.082  -3.084
  180    H    ARG  25           H        ARG  25  -3.399 -13.870  -0.006
  181    HA   ARG  25           HA       ARG  25  -4.509 -11.935   1.765
  182    HB2  ARG  25           HB2      ARG  25  -1.773 -13.229   1.845
  183    HB3  ARG  25           HB1      ARG  25  -2.492 -12.291   3.142
  184    HG2  ARG  25           HG2      ARG  25  -3.522 -14.915   2.076
  185    HG3  ARG  25           HG1      ARG  25  -2.633 -14.675   3.576
  186    HD2  ARG  25           HD2      ARG  25  -5.333 -13.498   2.918
  187    HD3  ARG  25           HD1      ARG  25  -5.056 -14.902   3.941
  188    HE   ARG  25           HE       ARG  25  -3.556 -12.830   5.000
  189   HH11  ARG  25          HH11      ARG  25  -7.009 -13.528   4.489
  190   HH12  ARG  25          HH12      ARG  25  -7.509 -12.647   5.843
  191   HH21  ARG  25          HH21      ARG  25  -4.265 -11.595   6.815
  192   HH22  ARG  25          HH22      ARG  25  -5.925 -11.499   7.191
  193    H    GLN  26           H        GLN  26  -1.753 -11.946  -0.427
  194    HA   GLN  26           HA       GLN  26  -0.748  -9.406   0.201
  195    HB2  GLN  26           HB2      GLN  26   0.430 -11.166  -1.153
  196    HB3  GLN  26           HB1      GLN  26  -0.649 -10.788  -2.487
  197    HG2  GLN  26           HG2      GLN  26   0.204  -8.486  -2.504
  198    HG3  GLN  26           HG1      GLN  26   1.313  -8.902  -1.203
  199   HE21  GLN  26          1HE2      GLN  26   3.157  -8.552  -2.305
  200   HE22  GLN  26          2HE2      GLN  26   3.686  -9.508  -3.645
  201    H    ARG  27           H        ARG  27  -3.100 -10.489  -2.222
  202    HA   ARG  27           HA       ARG  27  -3.601  -8.008  -3.419
  203    HB2  ARG  27           HB2      ARG  27  -5.414 -10.394  -3.128
  204    HB3  ARG  27           HB1      ARG  27  -5.766  -9.014  -4.152
  205    HG2  ARG  27           HG2      ARG  27  -3.733  -9.490  -5.450
  206    HG3  ARG  27           HG1      ARG  27  -3.442 -10.905  -4.436
  207    HD2  ARG  27           HD2      ARG  27  -4.523 -11.579  -6.491
  208    HD3  ARG  27           HD1      ARG  27  -5.617 -11.817  -5.128
  209    HE   ARG  27           HE       ARG  27  -6.058  -9.288  -6.191
  210   HH11  ARG  27          HH11      ARG  27  -6.600 -12.672  -7.018
  211   HH12  ARG  27          HH12      ARG  27  -7.853 -12.379  -8.132
  212   HH21  ARG  27          HH21      ARG  27  -7.794  -8.842  -7.688
  213   HH22  ARG  27          HH22      ARG  27  -8.556 -10.119  -8.529
  214    H    ARG  28           H        ARG  28  -4.958  -9.499  -0.585
  215    HA   ARG  28           HA       ARG  28  -7.100  -7.748  -0.132
  216    HB2  ARG  28           HB2      ARG  28  -6.715  -9.925   1.022
  217    HB3  ARG  28           HB1      ARG  28  -5.418  -9.168   1.928
  218    HG2  ARG  28           HG2      ARG  28  -7.012  -7.635   2.947
  219    HG3  ARG  28           HG1      ARG  28  -8.325  -8.386   2.032
  220    HD2  ARG  28           HD2      ARG  28  -7.665 -10.556   3.054
  221    HD3  ARG  28           HD1      ARG  28  -6.573  -9.666   4.108
  222    HE   ARG  28           HE       ARG  28  -8.683  -8.440   4.796
  223   HH11  ARG  28          HH11      ARG  28  -8.692 -11.828   3.698
  224   HH12  ARG  28          HH12      ARG  28  -9.973 -12.287   4.693
  225   HH21  ARG  28          HH21      ARG  28 -10.516  -9.110   6.159
  226   HH22  ARG  28          HH22      ARG  28 -11.037 -10.725   6.110
  227    H    CYS  29           H        CYS  29  -3.771  -7.718   1.065
  228    HA   CYS  29           HA       CYS  29  -4.006  -5.237   2.377
  229    HB2  CYS  29           HB2      CYS  29  -1.636  -6.854   1.476
  230    HB3  CYS  29           HB1      CYS  29  -1.487  -5.345   2.374
  231    H    GLN  30           H        GLN  30  -3.052  -6.202  -0.858
  232    HA   GLN  30           HA       GLN  30  -2.082  -3.772  -1.768
  233    HB2  GLN  30           HB2      GLN  30  -1.834  -5.750  -3.123
  234    HB3  GLN  30           HB1      GLN  30  -3.578  -5.946  -3.220
  235    HG2  GLN  30           HG2      GLN  30  -3.787  -4.003  -4.600
  236    HG3  GLN  30           HG1      GLN  30  -2.084  -3.608  -4.392
  237   HE21  GLN  30          1HE2      GLN  30  -3.664  -4.155  -6.800
  238   HE22  GLN  30          2HE2      GLN  30  -2.838  -5.430  -7.609
  239    H    GLN  31           H        GLN  31  -5.391  -5.031  -1.822
  240    HA   GLN  31           HA       GLN  31  -6.647  -2.859  -2.999
  241    HB2  GLN  31           HB2      GLN  31  -7.744  -5.013  -2.575
  242    HB3  GLN  31           HB1      GLN  31  -7.710  -4.693  -0.850
  243    HG2  GLN  31           HG2      GLN  31  -9.925  -4.269  -1.727
  244    HG3  GLN  31           HG1      GLN  31  -9.188  -2.762  -1.195
  245   HE21  GLN  31          1HE2      GLN  31 -10.510  -1.540  -2.503
  246   HE22  GLN  31          2HE2      GLN  31 -10.297  -1.459  -4.212
  247    H    VAL  32           H        VAL  32  -6.061  -3.460   0.444
  248    HA   VAL  32           HA       VAL  32  -7.285  -1.079   1.366
  249    HB   VAL  32           HB       VAL  32  -5.171  -2.761   2.743
  250   HG11  VAL  32          HG11      VAL  32  -7.100  -0.751   3.908
  251   HG12  VAL  32          HG12      VAL  32  -5.355  -0.546   3.755
  252   HG13  VAL  32          3HG1      VAL  32  -6.006  -1.783   4.831
  253   HG21  VAL  32          HG21      VAL  32  -8.179  -2.860   2.893
  254   HG22  VAL  32          HG22      VAL  32  -7.084  -3.755   3.942
  255   HG23  VAL  32          HG23      VAL  32  -7.110  -4.087   2.208
  256    H    CYS  33           H        CYS  33  -3.884  -1.863   0.695
  257    HA   CYS  33           HA       CYS  33  -3.148   0.768   1.468
  258    HB2  CYS  33           HB2      CYS  33  -1.506  -1.445   0.265
  259    HB3  CYS  33           HB1      CYS  33  -0.847   0.111   0.778
  260    H    GLU  34           H        GLU  34  -4.203  -0.579  -1.467
  261    HA   GLU  34           HA       GLU  34  -3.171   1.491  -3.138
  262    HB2  GLU  34           HB2      GLU  34  -3.949  -0.688  -4.032
  263    HB3  GLU  34           HB1      GLU  34  -5.572  -0.317  -3.490
  264    HG2  GLU  34           HG2      GLU  34  -5.648   1.583  -5.019
  265    HG3  GLU  34           HG1      GLU  34  -4.018   1.196  -5.564
  266    H    LYS  35           H        LYS  35  -5.965   0.943  -1.161
  267    HA   LYS  35           HA       LYS  35  -7.464   3.216  -1.871
  268    HB2  LYS  35           HB2      LYS  35  -8.234   1.194  -0.522
  269    HB3  LYS  35           HB1      LYS  35  -7.321   1.839   0.820
  270    HG2  LYS  35           HG2      LYS  35  -9.624   2.394   1.126
  271    HG3  LYS  35           HG1      LYS  35  -8.729   3.869   0.767
  272    HD2  LYS  35           HD2      LYS  35 -10.808   3.860  -0.456
  273    HD3  LYS  35           HD1      LYS  35  -9.467   3.712  -1.586
  274    HE2  LYS  35           HE2      LYS  35  -9.863   1.282  -1.714
  275    HE3  LYS  35           HE1      LYS  35 -11.197   1.454  -0.571
  276    HZ1  LYS  35           HZ1      LYS  35 -11.988   1.360  -2.874
  277    HZ2  LYS  35           HZ2      LYS  35 -11.050   2.729  -3.243
  278    HZ3  LYS  35           HZ3      LYS  35 -12.322   2.859  -2.183
  279    H    ARG  36           H        ARG  36  -5.020   2.544   0.566
  280    HA   ARG  36           HA       ARG  36  -4.835   5.093   1.741
  281    HB2  ARG  36           HB2      ARG  36  -2.701   2.974   1.437
  282    HB3  ARG  36           HB1      ARG  36  -2.560   4.387   2.472
  283    HG2  ARG  36           HG2      ARG  36  -4.435   3.638   3.806
  284    HG3  ARG  36           HG1      ARG  36  -4.671   2.266   2.726
  285    HD2  ARG  36           HD2      ARG  36  -3.532   1.589   4.741
  286    HD3  ARG  36           HD1      ARG  36  -2.482   1.405   3.342
  287    HE   ARG  36           HE       ARG  36  -1.399   3.524   4.067
  288   HH11  ARG  36          HH11      ARG  36  -3.140   1.569   6.483
  289   HH12  ARG  36          HH12      ARG  36  -2.174   2.088   7.784
  290   HH21  ARG  36          HH21      ARG  36  -0.079   4.169   5.870
  291   HH22  ARG  36          HH22      ARG  36  -0.431   3.590   7.440
  292    H    LEU  37           H        LEU  37  -3.064   3.640  -0.953
  293    HA   LEU  37           HA       LEU  37  -1.413   5.797  -1.570
  294    HB2  LEU  37           HB2      LEU  37  -1.112   3.546  -2.492
  295    HB3  LEU  37           HB1      LEU  37  -2.593   3.713  -3.410
  296    HG   LEU  37           HG       LEU  37  -1.588   5.496  -4.716
  297   HD11  LEU  37          HD11      LEU  37   0.869   5.872  -4.578
  298   HD12  LEU  37          HD12      LEU  37   0.905   4.850  -3.135
  299   HD13  LEU  37          HD13      LEU  37   0.016   6.369  -3.118
  300   HD21  LEU  37          HD21      LEU  37  -1.475   3.250  -5.563
  301   HD22  LEU  37          HD22      LEU  37   0.010   2.955  -4.661
  302   HD23  LEU  37          HD23      LEU  37  -0.000   4.120  -5.984
  303    H    ARG  38           H        ARG  38  -4.669   4.998  -2.682
  304    HA   ARG  38           HA       ARG  38  -5.016   7.093  -4.516
  305    HB2  ARG  38           HB2      ARG  38  -6.499   5.124  -4.355
  306    HB3  ARG  38           HB1      ARG  38  -7.085   5.701  -2.812
  307    HG2  ARG  38           HG2      ARG  38  -8.732   6.161  -4.498
  308    HG3  ARG  38           HG1      ARG  38  -8.040   7.682  -3.951
  309    HD2  ARG  38           HD2      ARG  38  -7.030   6.280  -6.414
  310    HD3  ARG  38           HD1      ARG  38  -8.427   7.337  -6.475
  311    HE   ARG  38           HE       ARG  38  -6.919   9.117  -5.648
  312   HH11  ARG  38          HH11      ARG  38  -5.463   6.324  -7.266
  313   HH12  ARG  38          HH12      ARG  38  -4.199   7.224  -7.969
  314   HH21  ARG  38          HH21      ARG  38  -5.182  10.371  -6.742
  315   HH22  ARG  38          HH22      ARG  38  -4.059   9.521  -7.685
  316    H    GLU  39           H        GLU  39  -5.544   6.924  -1.023
  317    HA   GLU  39           HA       GLU  39  -6.594   9.556  -0.880
  318    HB2  GLU  39           HB2      GLU  39  -5.400   7.798   1.264
  319    HB3  GLU  39           HB1      GLU  39  -6.133   9.367   1.572
  320    HG2  GLU  39           HG2      GLU  39  -7.514   6.966   0.403
  321    HG3  GLU  39           HG1      GLU  39  -7.684   7.561   2.052
  322    H    ARG  40           H        ARG  40  -3.396   8.197  -0.271
  323    HA   ARG  40           HA       ARG  40  -2.229  10.607   0.451
  324    HB2  ARG  40           HB2      ARG  40  -0.981   8.152  -0.736
  325    HB3  ARG  40           HB1      ARG  40  -0.042   9.547  -0.234
  326    HG2  ARG  40           HG2      ARG  40  -1.035   9.274   2.057
  327    HG3  ARG  40           HG1      ARG  40  -1.717   7.739   1.499
  328    HD2  ARG  40           HD2      ARG  40   0.497   6.929   0.959
  329    HD3  ARG  40           HD1      ARG  40   1.201   8.474   1.423
  330    HE   ARG  40           HE       ARG  40   0.169   6.377   3.123
  331   HH11  ARG  40          HH11      ARG  40   1.528   9.708   3.009
  332   HH12  ARG  40          HH12      ARG  40   2.223   9.588   4.556
  333   HH21  ARG  40          HH21      ARG  40   1.209   6.308   5.215
  334   HH22  ARG  40          HH22      ARG  40   2.052   7.681   5.822
  335    H    GLU  41           H        GLU  41  -2.124   9.039  -2.774
  336    HA   GLU  41           HA       GLU  41  -0.888  11.263  -4.048
  337    HB2  GLU  41           HB2      GLU  41  -2.361   8.856  -5.101
  338    HB3  GLU  41           HB1      GLU  41  -1.696  10.090  -6.160
  339    HG2  GLU  41           HG2      GLU  41  -0.031   8.601  -4.156
  340    HG3  GLU  41           HG1      GLU  41  -0.299   8.016  -5.796
  341    H    GLY  42           H        GLY  42  -4.113  10.577  -3.132
  342    HA2  GLY  42           HA2      GLY  42  -5.390  12.185  -5.088
  343    HA3  GLY  42           HA1      GLY  42  -6.106  11.562  -3.609
  344    H    ARG  43           H        ARG  43  -4.142  12.733  -1.866
  345    HA   ARG  43           HA       ARG  43  -5.209  15.467  -1.887
  346    HB2  ARG  43           HB2      ARG  43  -3.515  14.251   0.295
  347    HB3  ARG  43           HB1      ARG  43  -4.626  15.608   0.416
  348    HG2  ARG  43           HG2      ARG  43  -5.330  12.702   0.081
  349    HG3  ARG  43           HG1      ARG  43  -5.544  13.686   1.522
  350    HD2  ARG  43           HD2      ARG  43  -7.262  14.963   0.487
  351    HD3  ARG  43           HD1      ARG  43  -6.899  14.272  -1.100
  352    HE   ARG  43           HE       ARG  43  -7.577  12.318   0.860
  353   HH11  ARG  43          HH11      ARG  43  -9.038  14.635  -1.392
  354   HH12  ARG  43          HH12      ARG  43 -10.411  13.655  -1.685
  355   HH21  ARG  43          HH21      ARG  43  -9.474  10.982   0.398
  356   HH22  ARG  43          HH22      ARG  43 -10.655  11.592  -0.669
  357    H    ARG  44           H        ARG  44  -2.307  13.693  -2.338
  358    HA   ARG  44           HA       ARG  44  -0.512  15.922  -2.076
  359    HB2  ARG  44           HB2      ARG  44   0.293  13.740  -1.507
  360    HB3  ARG  44           HB1      ARG  44  -0.127  13.111  -3.096
  361    HG2  ARG  44           HG2      ARG  44   1.524  14.678  -4.057
  362    HG3  ARG  44           HG1      ARG  44   2.011  15.098  -2.410
  363    HD2  ARG  44           HD2      ARG  44   2.647  12.811  -1.995
  364    HD3  ARG  44           HD1      ARG  44   2.063  12.333  -3.590
  365    HE   ARG  44           HE       ARG  44   4.286  14.188  -3.134
  366   HH11  ARG  44          HH11      ARG  44   2.763  11.549  -5.030
  367   HH12  ARG  44          HH12      ARG  44   4.065  11.448  -6.109
  368   HH21  ARG  44          HH21      ARG  44   6.063  13.972  -4.655
  369   HH22  ARG  44          HH22      ARG  44   5.943  12.819  -5.906
  370    H    GLU  45           H        GLU  45  -0.038  17.300  -3.606
  371    HA   GLU  45           HA       GLU  45   0.054  18.416  -5.552
  372    HB2  GLU  45           HB2      GLU  45   0.527  15.648  -6.689
  373    HB3  GLU  45           HB1      GLU  45   0.810  17.149  -7.553
  374    HG2  GLU  45           HG2      GLU  45   2.256  16.208  -5.081
  375    HG3  GLU  45           HG1      GLU  45   2.893  16.260  -6.722
  376    H    VAL  46           H        VAL  46  -2.478  18.006  -4.716
  377    HA   VAL  46           HA       VAL  46  -4.007  17.134  -7.014
  378    HB   VAL  46           HB       VAL  46  -4.800  16.494  -4.752
  379   HG11  VAL  46          HG11      VAL  46  -5.206  19.433  -4.280
  380   HG12  VAL  46          HG12      VAL  46  -4.078  18.364  -3.442
  381   HG13  VAL  46          3HG1      VAL  46  -5.815  18.141  -3.245
  382   HG21  VAL  46          HG21      VAL  46  -7.165  17.159  -4.989
  383   HG22  VAL  46          HG22      VAL  46  -6.453  16.632  -6.513
  384   HG23  VAL  46          HG23      VAL  46  -6.688  18.352  -6.198
  385    H    ASP  47           H        ASP  47  -5.163  18.500  -8.324
  386    HA   ASP  47           HA       ASP  47  -4.499  21.341  -8.014
  387    HB2  ASP  47           HB2      ASP  47  -4.983  19.750 -10.545
  388    HB3  ASP  47           HB1      ASP  47  -4.827  21.498 -10.483
  Start of MODEL   16
    1    H2   PRO   1           HT1      PRO   1  16.554  10.454   5.830
    2    H3   PRO   1           HT2      PRO   1  16.164  11.569   6.937
    3    HA   PRO   1           HA       PRO   1  14.844  12.661   5.647
    4    HB2  PRO   1           HB2      PRO   1  15.662  11.586   3.062
    5    HB3  PRO   1           HB1      PRO   1  15.415  13.268   3.544
    6    HG2  PRO   1           HG2      PRO   1  17.903  11.803   3.385
    7    HG3  PRO   1           HG1      PRO   1  17.656  13.514   3.755
    8    HD2  PRO   1           HD2      PRO   1  18.565  11.630   5.581
    9    HD3  PRO   1           HD1      PRO   1  17.784  13.152   6.031
   10    H    ARG   2           H        ARG   2  13.023  11.778   4.243
   11    HA   ARG   2           HA       ARG   2  12.761   8.886   4.755
   12    HB2  ARG   2           HB2      ARG   2  10.357   9.202   4.846
   13    HB3  ARG   2           HB1      ARG   2  11.123  10.287   5.993
   14    HG2  ARG   2           HG2      ARG   2  10.728  12.176   4.614
   15    HG3  ARG   2           HG1      ARG   2  10.291  11.161   3.245
   16    HD2  ARG   2           HD2      ARG   2   8.741  11.358   5.824
   17    HD3  ARG   2           HD1      ARG   2   8.315  12.166   4.315
   18    HE   ARG   2           HE       ARG   2   8.645   9.311   4.138
   19   HH11  ARG   2          HH11      ARG   2   6.354  11.971   4.300
   20   HH12  ARG   2          HH12      ARG   2   4.972  10.982   4.142
   21   HH21  ARG   2          HH21      ARG   2   6.853   7.994   3.762
   22   HH22  ARG   2          HH22      ARG   2   5.259   8.582   3.768
   23    H    GLY   3           H        GLY   3  11.181   7.862   3.164
   24    HA2  GLY   3           HA2      GLY   3  11.936   8.672   0.490
   25    HA3  GLY   3           HA1      GLY   3  11.095   7.192   0.943
   26    H    SER   4           H        SER   4   9.923   8.162  -1.087
   27    HA   SER   4           HA       SER   4   7.954  10.167  -0.519
   28    HB2  SER   4           HB2      SER   4   8.041   8.128  -2.757
   29    HB3  SER   4           HB1      SER   4   7.205   9.676  -2.760
   30    HG   SER   4           HG       SER   4   9.530  10.452  -2.287
   31    HA   PRO   5           HA       PRO   5   4.702   7.697   1.352
   32    HB2  PRO   5           HB2      PRO   5   2.607   8.131  -0.472
   33    HB3  PRO   5           HB1      PRO   5   2.969   9.116   0.948
   34    HG2  PRO   5           HG2      PRO   5   3.731   9.551  -1.904
   35    HG3  PRO   5           HG1      PRO   5   3.264  10.734  -0.674
   36    HD2  PRO   5           HD2      PRO   5   5.805  10.461  -1.383
   37    HD3  PRO   5           HD1      PRO   5   5.369  10.709   0.321
   38    H    ARG   6           H        ARG   6   5.367   7.286  -2.039
   39    HA   ARG   6           HA       ARG   6   4.077   4.906  -2.600
   40    HB2  ARG   6           HB2      ARG   6   5.160   6.110  -4.380
   41    HB3  ARG   6           HB1      ARG   6   6.723   5.950  -3.605
   42    HG2  ARG   6           HG2      ARG   6   6.849   3.643  -4.112
   43    HG3  ARG   6           HG1      ARG   6   5.152   3.581  -4.578
   44    HD2  ARG   6           HD2      ARG   6   7.240   5.210  -6.018
   45    HD3  ARG   6           HD1      ARG   6   6.751   3.582  -6.489
   46    HE   ARG   6           HE       ARG   6   4.483   5.199  -6.246
   47   HH11  ARG   6          HH11      ARG   6   7.272   4.872  -8.406
   48   HH12  ARG   6          HH12      ARG   6   6.420   5.313  -9.805
   49   HH21  ARG   6          HH21      ARG   6   3.298   5.791  -8.173
   50   HH22  ARG   6          HH22      ARG   6   4.109   5.896  -9.664
   51    H    THR   7           H        THR   7   7.189   5.400  -0.932
   52    HA   THR   7           HA       THR   7   7.894   2.686  -0.929
   53    HB   THR   7           HB       THR   7   9.511   4.635  -0.468
   54    HG1  THR   7           HG1      THR   7   9.572   2.560   1.481
   55   HG21  THR   7          HG21      THR   7   8.209   5.788   1.274
   56   HG22  THR   7          HG22      THR   7   9.801   5.321   1.877
   57   HG23  THR   7          HG23      THR   7   8.378   4.382   2.326
   58    H    GLU   8           H        GLU   8   5.687   4.508   1.014
   59    HA   GLU   8           HA       GLU   8   5.692   2.812   3.285
   60    HB2  GLU   8           HB2      GLU   8   3.549   4.716   2.327
   61    HB3  GLU   8           HB1      GLU   8   3.599   3.950   3.904
   62    HG2  GLU   8           HG2      GLU   8   5.752   5.128   4.334
   63    HG3  GLU   8           HG1      GLU   8   5.528   5.980   2.808
   64    H    TYR   9           H        TYR   9   3.424   3.124   0.534
   65    HA   TYR   9           HA       TYR   9   1.920   0.895   1.517
   66    HB2  TYR   9           HB2      TYR   9   0.326   1.443  -0.027
   67    HB3  TYR   9           HB1      TYR   9   1.223   2.949  -0.077
   68    HD1  TYR   9           HD1      TYR   9   2.830   3.336  -1.973
   69    HD2  TYR   9           HD2      TYR   9   0.181   0.035  -1.852
   70    HE1  TYR   9           HE1      TYR   9   3.155   2.993  -4.383
   71    HE2  TYR   9           HE2      TYR   9   0.477  -0.338  -4.193
   72    HH   TYR   9           HH       TYR   9   2.964   1.148  -5.960
   73    H    GLU  10           H        GLU  10   4.536   1.295  -0.750
   74    HA   GLU  10           HA       GLU  10   4.335  -1.241  -1.972
   75    HB2  GLU  10           HB2      GLU  10   5.648   0.710  -2.833
   76    HB3  GLU  10           HB1      GLU  10   6.798   0.468  -1.534
   77    HG2  GLU  10           HG2      GLU  10   7.646  -0.430  -3.595
   78    HG3  GLU  10           HG1      GLU  10   7.343  -1.743  -2.455
   79    H    ALA  11           H        ALA  11   5.921  -0.038   0.949
   80    HA   ALA  11           HA       ALA  11   7.251  -2.430   1.645
   81    HB1  ALA  11           HB1      ALA  11   7.448  -1.472   3.873
   82    HB2  ALA  11           HB2      ALA  11   6.243  -0.249   3.469
   83    HB3  ALA  11           HB3      ALA  11   7.805  -0.251   2.650
   84    H    CYS  12           H        CYS  12   4.009  -1.274   2.099
   85    HA   CYS  12           HA       CYS  12   3.079  -3.191   3.929
   86    HB2  CYS  12           HB2      CYS  12   1.694  -1.293   3.465
   87    HB3  CYS  12           HB1      CYS  12   1.669  -1.656   1.745
   88    H    ARG  13           H        ARG  13   3.236  -3.215   0.389
   89    HA   ARG  13           HA       ARG  13   2.080  -5.718  -0.078
   90    HB2  ARG  13           HB2      ARG  13   4.270  -4.286  -1.577
   91    HB3  ARG  13           HB1      ARG  13   3.461  -5.727  -2.162
   92    HG2  ARG  13           HG2      ARG  13   1.346  -4.518  -2.247
   93    HG3  ARG  13           HG1      ARG  13   2.145  -3.075  -1.612
   94    HD2  ARG  13           HD2      ARG  13   3.553  -2.923  -3.525
   95    HD3  ARG  13           HD1      ARG  13   3.003  -4.486  -4.112
   96    HE   ARG  13           HE       ARG  13   0.746  -3.030  -3.998
   97   HH11  ARG  13          HH11      ARG  13   3.920  -2.207  -5.383
   98   HH12  ARG  13          HH12      ARG  13   3.279  -1.551  -6.806
   99   HH21  ARG  13          HH21      ARG  13  -0.106  -2.175  -5.950
  100   HH22  ARG  13          HH22      ARG  13   0.917  -1.498  -7.158
  101    H    VAL  14           H        VAL  14   5.457  -4.803   0.430
  102    HA   VAL  14           HA       VAL  14   6.629  -7.337   0.338
  103    HB   VAL  14           HB       VAL  14   7.505  -5.055   2.141
  104   HG11  VAL  14          HG11      VAL  14   9.097  -7.295   0.909
  105   HG12  VAL  14          HG12      VAL  14   8.602  -7.181   2.593
  106   HG13  VAL  14          3HG1      VAL  14   9.740  -6.004   1.929
  107   HG21  VAL  14          HG21      VAL  14   8.943  -4.321   0.300
  108   HG22  VAL  14          HG22      VAL  14   7.241  -4.250  -0.153
  109   HG23  VAL  14          HG23      VAL  14   8.257  -5.569  -0.734
  110    H    ARG  15           H        ARG  15   5.207  -5.560   3.031
  111    HA   ARG  15           HA       ARG  15   5.770  -7.357   5.117
  112    HB2  ARG  15           HB2      ARG  15   4.866  -5.070   5.490
  113    HB3  ARG  15           HB1      ARG  15   3.336  -5.588   4.814
  114    HG2  ARG  15           HG2      ARG  15   3.051  -7.189   6.634
  115    HG3  ARG  15           HG1      ARG  15   4.596  -6.687   7.319
  116    HD2  ARG  15           HD2      ARG  15   2.817  -5.575   8.503
  117    HD3  ARG  15           HD1      ARG  15   3.701  -4.394   7.546
  118    HE   ARG  15           HE       ARG  15   1.209  -5.558   6.523
  119   HH11  ARG  15          HH11      ARG  15   3.058  -2.684   7.502
  120   HH12  ARG  15          HH12      ARG  15   1.824  -1.600   7.083
  121   HH21  ARG  15          HH21      ARG  15  -0.510  -3.993   5.994
  122   HH22  ARG  15          HH22      ARG  15  -0.224  -2.344   6.271
  123    H    CYS  16           H        CYS  16   2.943  -7.055   3.044
  124    HA   CYS  16           HA       CYS  16   1.613  -9.212   4.194
  125    HB2  CYS  16           HB2      CYS  16   1.191  -7.816   1.580
  126    HB3  CYS  16           HB1      CYS  16   0.126  -9.082   2.196
  127    H    GLN  17           H        GLN  17   3.861  -9.168   1.459
  128    HA   GLN  17           HA       GLN  17   3.096 -11.837   0.809
  129    HB2  GLN  17           HB2      GLN  17   4.886 -11.843  -0.817
  130    HB3  GLN  17           HB1      GLN  17   3.985 -10.344  -0.917
  131    HG2  GLN  17           HG2      GLN  17   5.804  -9.307   0.469
  132    HG3  GLN  17           HG1      GLN  17   6.722 -10.791   0.209
  133   HE21  GLN  17          1HE2      GLN  17   7.358 -11.330  -1.926
  134   HE22  GLN  17          2HE2      GLN  17   7.402 -10.118  -3.153
  135    H    VAL  18           H        VAL  18   5.232 -10.483   3.088
  136    HA   VAL  18           HA       VAL  18   6.537 -13.050   3.481
  137    HB   VAL  18           HB       VAL  18   6.944 -10.422   4.941
  138   HG11  VAL  18          HG11      VAL  18   7.492 -12.290   6.399
  139   HG12  VAL  18          HG12      VAL  18   8.975 -11.493   5.860
  140   HG13  VAL  18          3HG1      VAL  18   8.471 -13.017   5.127
  141   HG21  VAL  18          HG21      VAL  18   7.689 -10.350   2.622
  142   HG22  VAL  18          HG22      VAL  18   8.632 -11.822   2.869
  143   HG23  VAL  18          HG23      VAL  18   9.067 -10.343   3.724
  144    H    ALA  19           H        ALA  19   4.650 -10.760   5.474
  145    HA   ALA  19           HA       ALA  19   4.421 -12.579   7.646
  146    HB1  ALA  19           HB1      ALA  19   2.851 -10.059   7.133
  147    HB2  ALA  19           HB2      ALA  19   4.413 -10.143   7.945
  148    HB3  ALA  19           HB3      ALA  19   2.999 -10.909   8.672
  149    H    GLU  20           H        GLU  20   2.106 -11.481   5.177
  150    HA   GLU  20           HA       GLU  20   0.054 -13.222   6.237
  151    HB2  GLU  20           HB2      GLU  20   0.075 -11.706   3.606
  152    HB3  GLU  20           HB1      GLU  20  -1.310 -12.457   4.382
  153    HG2  GLU  20           HG2      GLU  20   0.235 -10.118   5.467
  154    HG3  GLU  20           HG1      GLU  20  -1.300 -10.013   4.616
  155    H    HIS  21           H        HIS  21   1.909 -12.902   3.297
  156    HA   HIS  21           HA       HIS  21   2.623 -14.254   1.684
  157    HB2  HIS  21           HB2      HIS  21   3.924 -15.142   3.616
  158    HB3  HIS  21           HB1      HIS  21   2.694 -16.362   3.866
  159    HD1  HIS  21           HD1      HIS  21   5.873 -15.824   2.194
  160    HD2  HIS  21           HD2      HIS  21   2.501 -18.159   1.508
  161    HE1  HIS  21           HE1      HIS  21   6.603 -17.660   0.659
  162    H    GLY  22           H        GLY  22   0.955 -14.301   0.297
  163    HA2  GLY  22           HA2      GLY  22  -0.214 -16.601  -0.488
  164    HA3  GLY  22           HA1      GLY  22  -1.355 -15.925   0.677
  165    H    VAL  23           H        VAL  23  -1.649 -16.300  -2.193
  166    HA   VAL  23           HA       VAL  23  -1.355 -13.822  -3.532
  167    HB   VAL  23           HB       VAL  23  -3.218 -16.130  -4.178
  168   HG11  VAL  23          HG11      VAL  23  -2.251 -13.885  -5.951
  169   HG12  VAL  23          HG12      VAL  23  -3.885 -14.062  -5.315
  170   HG13  VAL  23          3HG1      VAL  23  -3.254 -15.244  -6.462
  171   HG21  VAL  23          HG21      VAL  23  -1.474 -16.824  -5.757
  172   HG22  VAL  23          HG22      VAL  23  -0.884 -16.821  -4.096
  173   HG23  VAL  23          HG23      VAL  23  -0.445 -15.511  -5.191
  174    H    GLU  24           H        GLU  24  -4.151 -15.456  -2.189
  175    HA   GLU  24           HA       GLU  24  -6.131 -13.533  -2.501
  176    HB2  GLU  24           HB2      GLU  24  -5.856 -15.213  -0.003
  177    HB3  GLU  24           HB1      GLU  24  -7.334 -14.605  -0.713
  178    HG2  GLU  24           HG2      GLU  24  -7.369 -16.869  -1.205
  179    HG3  GLU  24           HG1      GLU  24  -6.762 -16.153  -2.693
  180    H    ARG  25           H        ARG  25  -3.717 -13.914  -0.073
  181    HA   ARG  25           HA       ARG  25  -4.678 -11.908   1.680
  182    HB2  ARG  25           HB2      ARG  25  -1.957 -13.218   1.588
  183    HB3  ARG  25           HB1      ARG  25  -2.636 -12.292   2.931
  184    HG2  ARG  25           HG2      ARG  25  -4.417 -13.909   3.198
  185    HG3  ARG  25           HG1      ARG  25  -3.825 -14.825   1.821
  186    HD2  ARG  25           HD2      ARG  25  -1.725 -15.249   3.070
  187    HD3  ARG  25           HD1      ARG  25  -2.423 -14.412   4.459
  188    HE   ARG  25           HE       ARG  25  -4.249 -16.324   3.715
  189   HH11  ARG  25          HH11      ARG  25  -0.911 -16.350   4.925
  190   HH12  ARG  25          HH12      ARG  25  -1.053 -17.883   5.642
  191   HH21  ARG  25          HH21      ARG  25  -4.414 -18.425   4.712
  192   HH22  ARG  25          HH22      ARG  25  -3.089 -19.090   5.541
  193    H    GLN  26           H        GLN  26  -2.264 -11.937  -0.916
  194    HA   GLN  26           HA       GLN  26  -1.532  -9.238  -0.410
  195    HB2  GLN  26           HB2      GLN  26  -1.018 -11.077  -2.718
  196    HB3  GLN  26           HB1      GLN  26  -0.571  -9.380  -2.797
  197    HG2  GLN  26           HG2      GLN  26   0.800  -9.703  -0.753
  198    HG3  GLN  26           HG1      GLN  26   0.420 -11.423  -0.822
  199   HE21  GLN  26          1HE2      GLN  26   2.103  -8.805  -2.371
  200   HE22  GLN  26          2HE2      GLN  26   3.146  -9.783  -3.329
  201    H    ARG  27           H        ARG  27  -3.941 -10.801  -2.393
  202    HA   ARG  27           HA       ARG  27  -4.816  -8.536  -3.828
  203    HB2  ARG  27           HB2      ARG  27  -6.402 -10.898  -2.794
  204    HB3  ARG  27           HB1      ARG  27  -7.038  -9.700  -3.908
  205    HG2  ARG  27           HG2      ARG  27  -5.395 -10.352  -5.575
  206    HG3  ARG  27           HG1      ARG  27  -4.700 -11.517  -4.446
  207    HD2  ARG  27           HD2      ARG  27  -6.211 -12.589  -6.065
  208    HD3  ARG  27           HD1      ARG  27  -6.784 -12.762  -4.408
  209    HE   ARG  27           HE       ARG  27  -8.000 -10.507  -5.370
  210   HH11  ARG  27          HH11      ARG  27  -7.983 -13.929  -6.282
  211   HH12  ARG  27          HH12      ARG  27  -9.556 -13.904  -6.932
  212   HH21  ARG  27          HH21      ARG  27 -10.135 -10.477  -6.239
  213   HH22  ARG  27          HH22      ARG  27 -10.830 -11.875  -6.921
  214    H    ARG  28           H        ARG  28  -5.677  -9.804  -0.689
  215    HA   ARG  28           HA       ARG  28  -7.548  -7.916   0.168
  216    HB2  ARG  28           HB2      ARG  28  -7.119  -9.994   1.374
  217    HB3  ARG  28           HB1      ARG  28  -5.481  -9.479   1.727
  218    HG2  ARG  28           HG2      ARG  28  -6.412  -7.621   3.079
  219    HG3  ARG  28           HG1      ARG  28  -8.024  -8.276   2.793
  220    HD2  ARG  28           HD2      ARG  28  -7.438 -10.336   3.893
  221    HD3  ARG  28           HD1      ARG  28  -5.764  -9.809   4.069
  222    HE   ARG  28           HE       ARG  28  -7.712  -8.073   5.273
  223   HH11  ARG  28          HH11      ARG  28  -5.626 -10.908   5.834
  224   HH12  ARG  28          HH12      ARG  28  -5.559 -10.661   7.515
  225   HH21  ARG  28          HH21      ARG  28  -7.594  -7.798   7.607
  226   HH22  ARG  28          HH22      ARG  28  -6.670  -8.903   8.530
  227    H    CYS  29           H        CYS  29  -4.012  -7.981   0.676
  228    HA   CYS  29           HA       CYS  29  -3.914  -5.506   1.950
  229    HB2  CYS  29           HB2      CYS  29  -1.808  -7.157   0.590
  230    HB3  CYS  29           HB1      CYS  29  -1.447  -5.642   1.420
  231    H    GLN  30           H        GLN  30  -3.806  -6.324  -1.444
  232    HA   GLN  30           HA       GLN  30  -2.968  -3.849  -2.454
  233    HB2  GLN  30           HB2      GLN  30  -3.110  -5.804  -3.875
  234    HB3  GLN  30           HB1      GLN  30  -4.841  -5.912  -3.608
  235    HG2  GLN  30           HG2      GLN  30  -5.210  -3.870  -4.814
  236    HG3  GLN  30           HG1      GLN  30  -3.474  -3.622  -4.992
  237   HE21  GLN  30          1HE2      GLN  30  -2.356  -4.870  -6.389
  238   HE22  GLN  30          2HE2      GLN  30  -3.091  -5.807  -7.631
  239    H    GLN  31           H        GLN  31  -6.159  -5.066  -1.608
  240    HA   GLN  31           HA       GLN  31  -7.676  -2.831  -2.424
  241    HB2  GLN  31           HB2      GLN  31  -8.673  -5.004  -1.909
  242    HB3  GLN  31           HB1      GLN  31  -8.187  -4.841  -0.234
  243    HG2  GLN  31           HG2      GLN  31  -9.667  -2.865  -0.042
  244    HG3  GLN  31           HG1      GLN  31 -10.215  -3.163  -1.693
  245   HE21  GLN  31          1HE2      GLN  31 -11.680  -3.216   0.862
  246   HE22  GLN  31          2HE2      GLN  31 -12.377  -4.795   0.926
  247    H    VAL  32           H        VAL  32  -5.903  -3.589   0.457
  248    HA   VAL  32           HA       VAL  32  -6.962  -1.355   1.920
  249    HB   VAL  32           HB       VAL  32  -4.632  -3.162   2.623
  250   HG11  VAL  32          HG11      VAL  32  -4.548  -1.053   3.840
  251   HG12  VAL  32          HG12      VAL  32  -4.977  -2.377   4.924
  252   HG13  VAL  32          3HG1      VAL  32  -6.224  -1.269   4.350
  253   HG21  VAL  32          HG21      VAL  32  -7.525  -3.298   3.467
  254   HG22  VAL  32          HG22      VAL  32  -6.227  -4.311   4.097
  255   HG23  VAL  32          HG23      VAL  32  -6.695  -4.429   2.401
  256    H    CYS  33           H        CYS  33  -3.675  -2.206   0.805
  257    HA   CYS  33           HA       CYS  33  -2.818   0.357   1.588
  258    HB2  CYS  33           HB2      CYS  33  -1.296  -1.948   0.443
  259    HB3  CYS  33           HB1      CYS  33  -0.542  -0.417   0.875
  260    H    GLU  34           H        GLU  34  -3.223  -1.011  -1.720
  261    HA   GLU  34           HA       GLU  34  -2.219   1.332  -2.878
  262    HB2  GLU  34           HB2      GLU  34  -4.039  -0.790  -3.910
  263    HB3  GLU  34           HB1      GLU  34  -3.907   0.710  -4.819
  264    HG2  GLU  34           HG2      GLU  34  -2.356  -0.574  -5.860
  265    HG3  GLU  34           HG1      GLU  34  -1.365   0.225  -4.658
  266    H    LYS  35           H        LYS  35  -5.364   0.561  -1.635
  267    HA   LYS  35           HA       LYS  35  -6.569   2.945  -2.610
  268    HB2  LYS  35           HB2      LYS  35  -7.906   0.962  -2.011
  269    HB3  LYS  35           HB1      LYS  35  -7.421   1.162  -0.338
  270    HG2  LYS  35           HG2      LYS  35  -8.670   3.183  -0.128
  271    HG3  LYS  35           HG1      LYS  35  -8.984   3.232  -1.864
  272    HD2  LYS  35           HD2      LYS  35 -10.946   2.442  -0.627
  273    HD3  LYS  35           HD1      LYS  35 -10.314   1.189  -1.693
  274    HE2  LYS  35           HE2      LYS  35 -10.912   0.225   0.433
  275    HE3  LYS  35           HE1      LYS  35  -9.167   0.165   0.241
  276    HZ1  LYS  35           HZ1      LYS  35  -9.722   0.868   2.444
  277    HZ2  LYS  35           HZ2      LYS  35 -10.713   2.086   1.885
  278    HZ3  LYS  35           HZ3      LYS  35  -9.050   2.202   1.668
  279    H    ARG  36           H        ARG  36  -4.984   2.037   0.420
  280    HA   ARG  36           HA       ARG  36  -5.379   4.445   1.763
  281    HB2  ARG  36           HB2      ARG  36  -3.084   2.504   1.903
  282    HB3  ARG  36           HB1      ARG  36  -3.127   3.953   2.887
  283    HG2  ARG  36           HG2      ARG  36  -5.226   3.178   3.903
  284    HG3  ARG  36           HG1      ARG  36  -5.131   1.704   2.934
  285    HD2  ARG  36           HD2      ARG  36  -4.289   1.328   5.191
  286    HD3  ARG  36           HD1      ARG  36  -3.008   1.143   3.995
  287    HE   ARG  36           HE       ARG  36  -3.030   3.784   4.926
  288   HH11  ARG  36          HH11      ARG  36  -2.275   0.562   6.188
  289   HH12  ARG  36          HH12      ARG  36  -1.049   1.114   7.233
  290   HH21  ARG  36          HH21      ARG  36  -1.311   4.507   6.385
  291   HH22  ARG  36          HH22      ARG  36  -0.491   3.362   7.341
  292    H    LEU  37           H        LEU  37  -2.811   3.504  -0.457
  293    HA   LEU  37           HA       LEU  37  -1.416   5.942  -0.382
  294    HB2  LEU  37           HB2      LEU  37  -0.602   3.704  -1.237
  295    HB3  LEU  37           HB1      LEU  37  -1.563   3.965  -2.667
  296    HG   LEU  37           HG       LEU  37   0.901   4.363  -2.926
  297   HD11  LEU  37          HD11      LEU  37  -0.868   6.704  -3.518
  298   HD12  LEU  37          HD12      LEU  37  -0.573   5.291  -4.548
  299   HD13  LEU  37          HD13      LEU  37   0.735   6.421  -4.195
  300   HD21  LEU  37          HD21      LEU  37   0.362   6.788  -1.224
  301   HD22  LEU  37          HD22      LEU  37   1.859   6.435  -2.089
  302   HD23  LEU  37          HD23      LEU  37   1.335   5.388  -0.773
  303    H    ARG  38           H        ARG  38  -4.106   4.808  -2.309
  304    HA   ARG  38           HA       ARG  38  -4.273   6.883  -4.189
  305    HB2  ARG  38           HB2      ARG  38  -5.533   4.706  -4.227
  306    HB3  ARG  38           HB1      ARG  38  -6.574   5.355  -2.971
  307    HG2  ARG  38           HG2      ARG  38  -7.147   7.220  -4.553
  308    HG3  ARG  38           HG1      ARG  38  -6.282   6.318  -5.798
  309    HD2  ARG  38           HD2      ARG  38  -8.609   5.805  -5.974
  310    HD3  ARG  38           HD1      ARG  38  -7.777   4.380  -5.339
  311    HE   ARG  38           HE       ARG  38  -8.771   6.064  -3.268
  312   HH11  ARG  38          HH11      ARG  38  -9.768   3.517  -5.506
  313   HH12  ARG  38          HH12      ARG  38 -11.177   3.129  -4.662
  314   HH21  ARG  38          HH21      ARG  38 -10.604   5.601  -2.147
  315   HH22  ARG  38          HH22      ARG  38 -11.704   4.378  -2.648
  316    H    GLU  39           H        GLU  39  -5.633   6.541  -0.928
  317    HA   GLU  39           HA       GLU  39  -6.964   9.091  -1.039
  318    HB2  GLU  39           HB2      GLU  39  -6.399   7.383   1.388
  319    HB3  GLU  39           HB1      GLU  39  -7.567   8.688   1.278
  320    HG2  GLU  39           HG2      GLU  39  -7.686   6.000  -0.071
  321    HG3  GLU  39           HG1      GLU  39  -8.748   6.620   1.189
  322    H    ARG  40           H        ARG  40  -4.001   7.804   0.156
  323    HA   ARG  40           HA       ARG  40  -2.932   9.678   1.846
  324    HB2  ARG  40           HB2      ARG  40  -2.014   7.455   1.076
  325    HB3  ARG  40           HB1      ARG  40  -1.484   8.250  -0.387
  326    HG2  ARG  40           HG2      ARG  40   0.367   7.944   1.101
  327    HG3  ARG  40           HG1      ARG  40  -0.011   9.665   0.979
  328    HD2  ARG  40           HD2      ARG  40  -1.011   9.710   3.069
  329    HD3  ARG  40           HD1      ARG  40  -1.135   7.950   3.164
  330    HE   ARG  40           HE       ARG  40   1.517   8.357   3.079
  331   HH11  ARG  40          HH11      ARG  40  -0.983   9.903   5.030
  332   HH12  ARG  40          HH12      ARG  40  -0.000  10.022   6.421
  333   HH21  ARG  40          HH21      ARG  40   2.807   8.424   4.959
  334   HH22  ARG  40          HH22      ARG  40   2.212   9.153   6.395
  335    H    GLU  41           H        GLU  41  -2.579   9.567  -1.695
  336    HA   GLU  41           HA       GLU  41  -1.589  12.278  -1.756
  337    HB2  GLU  41           HB2      GLU  41  -1.434  11.924  -4.213
  338    HB3  GLU  41           HB1      GLU  41  -0.551  10.738  -3.268
  339    HG2  GLU  41           HG2      GLU  41  -2.260   9.092  -3.644
  340    HG3  GLU  41           HG1      GLU  41  -3.277  10.287  -4.447
  341    H    GLY  42           H        GLY  42  -4.587  10.615  -2.401
  342    HA2  GLY  42           HA2      GLY  42  -5.839  12.580  -4.004
  343    HA3  GLY  42           HA1      GLY  42  -6.656  11.318  -3.101
  344    H    ARG  43           H        ARG  43  -5.749  12.140  -0.535
  345    HA   ARG  43           HA       ARG  43  -7.505  14.434  -0.080
  346    HB2  ARG  43           HB2      ARG  43  -6.074  12.550   1.801
  347    HB3  ARG  43           HB1      ARG  43  -7.126  13.854   2.318
  348    HG2  ARG  43           HG2      ARG  43  -9.045  12.773   1.398
  349    HG3  ARG  43           HG1      ARG  43  -8.037  11.587   0.564
  350    HD2  ARG  43           HD2      ARG  43  -9.106  10.697   2.616
  351    HD3  ARG  43           HD1      ARG  43  -7.349  10.614   2.646
  352    HE   ARG  43           HE       ARG  43  -8.995  12.555   4.148
  353   HH11  ARG  43          HH11      ARG  43  -6.017  10.631   3.835
  354   HH12  ARG  43          HH12      ARG  43  -5.343  11.248   5.276
  355   HH21  ARG  43          HH21      ARG  43  -8.042  13.320   6.129
  356   HH22  ARG  43          HH22      ARG  43  -6.456  12.831   6.561
  357    H    ARG  44           H        ARG  44  -4.269  13.721  -0.521
  358    HA   ARG  44           HA       ARG  44  -2.302  14.578  -0.131
  359    HB2  ARG  44           HB2      ARG  44  -3.150  16.468  -1.457
  360    HB3  ARG  44           HB1      ARG  44  -3.747  17.237   0.012
  361    HG2  ARG  44           HG2      ARG  44  -1.478  17.355   0.875
  362    HG3  ARG  44           HG1      ARG  44  -0.887  16.589  -0.594
  363    HD2  ARG  44           HD2      ARG  44  -1.642  18.499  -1.908
  364    HD3  ARG  44           HD1      ARG  44  -2.305  19.254  -0.454
  365    HE   ARG  44           HE       ARG  44   0.404  18.621  -0.075
  366   HH11  ARG  44          HH11      ARG  44  -1.560  20.990  -1.845
  367   HH12  ARG  44          HH12      ARG  44  -0.401  22.221  -1.745
  368   HH21  ARG  44          HH21      ARG  44   2.005  20.320   0.039
  369   HH22  ARG  44          HH22      ARG  44   1.649  21.838  -0.639
  370    H    GLU  45           H        GLU  45  -2.101  13.446   1.729
  371    HA   GLU  45           HA       GLU  45  -1.847  15.162   4.098
  372    HB2  GLU  45           HB2      GLU  45  -3.866  13.658   4.182
  373    HB3  GLU  45           HB1      GLU  45  -2.796  12.281   4.028
  374    HG2  GLU  45           HG2      GLU  45  -1.845  12.706   6.185
  375    HG3  GLU  45           HG1      GLU  45  -2.721  14.232   6.322
  376    H    VAL  46           H        VAL  46  -0.095  14.460   2.013
  377    HA   VAL  46           HA       VAL  46   1.753  12.479   3.071
  378    HB   VAL  46           HB       VAL  46   2.978  12.785   0.928
  379   HG11  VAL  46          HG11      VAL  46   0.046  12.159   0.695
  380   HG12  VAL  46          HG12      VAL  46   1.358  11.047   1.116
  381   HG13  VAL  46          3HG1      VAL  46   1.271  11.740  -0.504
  382   HG21  VAL  46          HG21      VAL  46   1.906  14.038  -0.903
  383   HG22  VAL  46          HG22      VAL  46   2.366  15.094   0.432
  384   HG23  VAL  46          HG23      VAL  46   0.680  14.619   0.223
  385    H    ASP  47           H        ASP  47   3.902  12.945   3.437
  386    HA   ASP  47           HA       ASP  47   4.620  15.773   3.702
  387    HB2  ASP  47           HB2      ASP  47   5.423  13.467   5.511
  388    HB3  ASP  47           HB1      ASP  47   6.122  15.075   5.580
  Start of MODEL   17
    1    H2   PRO   1           HT1      PRO   1   5.619  17.156   3.097
    2    H3   PRO   1           HT2      PRO   1   6.829  18.021   3.712
    3    HA   PRO   1           HA       PRO   1   8.059  16.356   4.022
    4    HB2  PRO   1           HB2      PRO   1   6.425  14.146   4.619
    5    HB3  PRO   1           HB1      PRO   1   7.418  15.067   5.755
    6    HG2  PRO   1           HG2      PRO   1   4.518  15.285   5.200
    7    HG3  PRO   1           HG1      PRO   1   5.410  15.651   6.680
    8    HD2  PRO   1           HD2      PRO   1   4.441  17.611   5.077
    9    HD3  PRO   1           HD1      PRO   1   5.957  17.802   5.977
   10    H    ARG   2           H        ARG   2   8.666  14.636   2.586
   11    HA   ARG   2           HA       ARG   2   6.713  13.959   0.595
   12    HB2  ARG   2           HB2      ARG   2   8.404  14.499  -1.242
   13    HB3  ARG   2           HB1      ARG   2   7.570  15.846  -0.501
   14    HG2  ARG   2           HG2      ARG   2   9.840  16.483  -0.855
   15    HG3  ARG   2           HG1      ARG   2   9.625  16.252   0.875
   16    HD2  ARG   2           HD2      ARG   2  11.748  15.321   0.071
   17    HD3  ARG   2           HD1      ARG   2  10.692  14.067   0.722
   18    HE   ARG   2           HE       ARG   2  10.295  14.342  -2.052
   19   HH11  ARG   2          HH11      ARG   2  12.725  13.101   0.188
   20   HH12  ARG   2          HH12      ARG   2  13.265  11.883  -0.856
   21   HH21  ARG   2          HH21      ARG   2  10.972  12.671  -3.449
   22   HH22  ARG   2          HH22      ARG   2  12.207  11.597  -2.998
   23    H    GLY   3           H        GLY   3   7.717  12.399  -1.050
   24    HA2  GLY   3           HA2      GLY   3   9.851  10.798  -0.682
   25    HA3  GLY   3           HA1      GLY   3   8.630  10.152   0.425
   26    H    SER   4           H        SER   4   9.326   8.519  -1.651
   27    HA   SER   4           HA       SER   4   7.521   9.069  -3.805
   28    HB2  SER   4           HB2      SER   4   8.439   6.810  -4.631
   29    HB3  SER   4           HB1      SER   4   9.553   8.169  -4.569
   30    HG   SER   4           HG       SER   4  10.706   7.101  -3.184
   31    HA   PRO   5           HA       PRO   5   4.092   7.081  -1.704
   32    HB2  PRO   5           HB2      PRO   5   3.040   7.023  -4.481
   33    HB3  PRO   5           HB1      PRO   5   2.287   7.651  -3.014
   34    HG2  PRO   5           HG2      PRO   5   3.257   9.310  -4.845
   35    HG3  PRO   5           HG1      PRO   5   3.425   9.626  -3.107
   36    HD2  PRO   5           HD2      PRO   5   5.486   8.684  -5.043
   37    HD3  PRO   5           HD1      PRO   5   5.627   9.783  -3.659
   38    H    ARG   6           H        ARG   6   5.183   6.067  -4.847
   39    HA   ARG   6           HA       ARG   6   4.118   3.511  -4.936
   40    HB2  ARG   6           HB2      ARG   6   5.794   2.908  -6.602
   41    HB3  ARG   6           HB1      ARG   6   5.095   4.483  -6.925
   42    HG2  ARG   6           HG2      ARG   6   7.109   5.548  -6.029
   43    HG3  ARG   6           HG1      ARG   6   7.791   3.959  -5.687
   44    HD2  ARG   6           HD2      ARG   6   8.717   4.804  -7.764
   45    HD3  ARG   6           HD1      ARG   6   7.690   3.425  -8.088
   46    HE   ARG   6           HE       ARG   6   5.951   5.045  -8.736
   47   HH11  ARG   6          HH11      ARG   6   9.347   6.111  -8.830
   48   HH12  ARG   6          HH12      ARG   6   9.109   7.177 -10.131
   49   HH21  ARG   6          HH21      ARG   6   5.658   6.543 -10.534
   50   HH22  ARG   6          HH22      ARG   6   6.996   7.451 -11.089
   51    H    THR   7           H        THR   7   7.175   4.447  -3.372
   52    HA   THR   7           HA       THR   7   7.931   1.721  -2.999
   53    HB   THR   7           HB       THR   7   9.725   2.700  -1.532
   54    HG1  THR   7           HG1      THR   7   9.419   5.244  -2.373
   55   HG21  THR   7          HG21      THR   7   9.434   3.944  -4.273
   56   HG22  THR   7          HG22      THR   7  10.060   2.330  -3.955
   57   HG23  THR   7          HG23      THR   7  10.943   3.745  -3.381
   58    H    GLU   8           H        GLU   8   6.385   4.186  -1.057
   59    HA   GLU   8           HA       GLU   8   6.345   2.809   1.419
   60    HB2  GLU   8           HB2      GLU   8   4.341   4.789   0.307
   61    HB3  GLU   8           HB1      GLU   8   4.491   4.327   1.993
   62    HG2  GLU   8           HG2      GLU   8   6.603   5.746   0.389
   63    HG3  GLU   8           HG1      GLU   8   5.475   6.521   1.496
   64    H    TYR   9           H        TYR   9   4.097   3.008  -1.304
   65    HA   TYR   9           HA       TYR   9   2.047   1.414  -0.342
   66    HB2  TYR   9           HB2      TYR   9   1.547   2.833  -2.084
   67    HB3  TYR   9           HB1      TYR   9   3.018   2.467  -2.962
   68    HD1  TYR   9           HD1      TYR   9  -0.388   1.354  -2.214
   69    HD2  TYR   9           HD2      TYR   9   3.120   0.734  -4.432
   70    HE1  TYR   9           HE1      TYR   9  -1.638  -0.175  -3.689
   71    HE2  TYR   9           HE2      TYR   9   1.929  -0.823  -5.960
   72    HH   TYR   9           HH       TYR   9  -1.433  -1.071  -6.034
   73    H    GLU  10           H        GLU  10   4.825   0.729  -2.426
   74    HA   GLU  10           HA       GLU  10   4.443  -1.965  -2.906
   75    HB2  GLU  10           HB2      GLU  10   6.101  -0.569  -4.034
   76    HB3  GLU  10           HB1      GLU  10   7.008  -0.421  -2.543
   77    HG2  GLU  10           HG2      GLU  10   7.350  -2.890  -2.602
   78    HG3  GLU  10           HG1      GLU  10   6.594  -2.883  -4.200
   79    H    ALA  11           H        ALA  11   6.157  -0.355  -0.249
   80    HA   ALA  11           HA       ALA  11   7.166  -2.626   1.028
   81    HB1  ALA  11           HB1      ALA  11   6.386   0.003   2.284
   82    HB2  ALA  11           HB2      ALA  11   7.929  -0.348   1.509
   83    HB3  ALA  11           HB3      ALA  11   7.469  -1.203   2.981
   84    H    CYS  12           H        CYS  12   4.064  -1.031   1.333
   85    HA   CYS  12           HA       CYS  12   3.165  -2.505   3.574
   86    HB2  CYS  12           HB2      CYS  12   2.141  -0.358   2.820
   87    HB3  CYS  12           HB1      CYS  12   1.546  -1.180   1.388
   88    H    ARG  13           H        ARG  13   2.985  -3.020   0.082
   89    HA   ARG  13           HA       ARG  13   1.372  -5.353   0.225
   90    HB2  ARG  13           HB2      ARG  13   3.238  -4.369  -1.943
   91    HB3  ARG  13           HB1      ARG  13   2.209  -5.783  -2.109
   92    HG2  ARG  13           HG2      ARG  13   0.229  -4.392  -1.840
   93    HG3  ARG  13           HG1      ARG  13   1.250  -2.970  -1.626
   94    HD2  ARG  13           HD2      ARG  13   0.377  -3.095  -3.904
   95    HD3  ARG  13           HD1      ARG  13   2.129  -3.246  -3.884
   96    HE   ARG  13           HE       ARG  13   1.386  -5.812  -3.902
   97   HH11  ARG  13          HH11      ARG  13   0.140  -3.110  -5.928
   98   HH12  ARG  13          HH12      ARG  13  -0.076  -4.111  -7.272
   99   HH21  ARG  13          HH21      ARG  13   1.023  -7.109  -5.793
  100   HH22  ARG  13          HH22      ARG  13   0.420  -6.410  -7.218
  101    H    VAL  14           H        VAL  14   4.855  -4.800  -0.045
  102    HA   VAL  14           HA       VAL  14   5.703  -7.456  -0.097
  103    HB   VAL  14           HB       VAL  14   7.157  -5.067   1.103
  104   HG11  VAL  14          HG11      VAL  14   9.208  -6.359   0.754
  105   HG12  VAL  14          HG12      VAL  14   8.241  -7.730   0.205
  106   HG13  VAL  14          3HG1      VAL  14   8.113  -7.176   1.872
  107   HG21  VAL  14          HG21      VAL  14   8.323  -4.964  -1.048
  108   HG22  VAL  14          HG22      VAL  14   6.584  -4.745  -1.246
  109   HG23  VAL  14          HG23      VAL  14   7.330  -6.292  -1.648
  110    H    ARG  15           H        ARG  15   4.928  -5.376   2.615
  111    HA   ARG  15           HA       ARG  15   5.656  -6.939   4.798
  112    HB2  ARG  15           HB2      ARG  15   4.694  -4.645   4.953
  113    HB3  ARG  15           HB1      ARG  15   3.136  -5.286   4.465
  114    HG2  ARG  15           HG2      ARG  15   3.271  -6.762   6.532
  115    HG3  ARG  15           HG1      ARG  15   4.617  -5.744   7.029
  116    HD2  ARG  15           HD2      ARG  15   1.860  -4.730   6.355
  117    HD3  ARG  15           HD1      ARG  15   2.440  -5.017   7.988
  118    HE   ARG  15           HE       ARG  15   4.254  -3.322   7.253
  119   HH11  ARG  15          HH11      ARG  15   0.822  -3.135   6.330
  120   HH12  ARG  15          HH12      ARG  15   0.817  -1.427   6.275
  121   HH21  ARG  15          HH21      ARG  15   4.172  -0.988   7.181
  122   HH22  ARG  15          HH22      ARG  15   2.711  -0.206   6.750
  123    H    CYS  16           H        CYS  16   2.575  -6.884   3.047
  124    HA   CYS  16           HA       CYS  16   1.523  -9.137   4.379
  125    HB2  CYS  16           HB2      CYS  16   0.694  -7.785   1.830
  126    HB3  CYS  16           HB1      CYS  16  -0.174  -9.148   2.527
  127    H    GLN  17           H        GLN  17   3.523  -8.850   1.543
  128    HA   GLN  17           HA       GLN  17   2.998 -11.436   0.527
  129    HB2  GLN  17           HB2      GLN  17   5.424  -9.675   0.184
  130    HB3  GLN  17           HB1      GLN  17   5.152 -11.167  -0.700
  131    HG2  GLN  17           HG2      GLN  17   3.127 -10.222  -1.678
  132    HG3  GLN  17           HG1      GLN  17   3.407  -8.721  -0.795
  133   HE21  GLN  17          1HE2      GLN  17   4.436 -10.737  -3.384
  134   HE22  GLN  17          2HE2      GLN  17   5.456  -9.581  -4.168
  135    H    VAL  18           H        VAL  18   5.002 -10.321   3.104
  136    HA   VAL  18           HA       VAL  18   6.234 -12.966   3.285
  137    HB   VAL  18           HB       VAL  18   6.876 -10.468   4.874
  138   HG11  VAL  18          HG11      VAL  18   8.347 -13.098   4.676
  139   HG12  VAL  18          HG12      VAL  18   7.474 -12.495   6.085
  140   HG13  VAL  18          3HG1      VAL  18   8.926 -11.666   5.527
  141   HG21  VAL  18          HG21      VAL  18   8.893 -10.343   3.479
  142   HG22  VAL  18          HG22      VAL  18   7.416 -10.178   2.528
  143   HG23  VAL  18          HG23      VAL  18   8.301 -11.702   2.526
  144    H    ALA  19           H        ALA  19   4.412 -10.661   5.302
  145    HA   ALA  19           HA       ALA  19   4.190 -12.416   7.509
  146    HB1  ALA  19           HB1      ALA  19   2.601 -10.820   8.392
  147    HB2  ALA  19           HB2      ALA  19   2.486 -10.041   6.812
  148    HB3  ALA  19           HB3      ALA  19   4.001  -9.984   7.714
  149    H    GLU  20           H        GLU  20   1.767 -11.427   5.095
  150    HA   GLU  20           HA       GLU  20  -0.047 -13.476   6.001
  151    HB2  GLU  20           HB2      GLU  20  -0.195 -11.817   3.465
  152    HB3  GLU  20           HB1      GLU  20  -1.500 -12.740   4.185
  153    HG2  GLU  20           HG2      GLU  20  -0.206 -10.281   5.351
  154    HG3  GLU  20           HG1      GLU  20  -1.778 -10.354   4.567
  155    H    HIS  21           H        HIS  21   1.772 -12.784   3.078
  156    HA   HIS  21           HA       HIS  21   2.854 -13.950   1.550
  157    HB2  HIS  21           HB2      HIS  21   3.932 -15.213   3.332
  158    HB3  HIS  21           HB1      HIS  21   2.575 -16.324   3.407
  159    HD1  HIS  21           HD1      HIS  21   2.679 -18.346   1.851
  160    HD2  HIS  21           HD2      HIS  21   5.526 -15.456   0.957
  161    HE1  HIS  21           HE1      HIS  21   4.179 -19.363   0.108
  162    H    GLY  22           H        GLY  22  -0.022 -15.611   2.635
  163    HA2  GLY  22           HA2      GLY  22  -0.587 -17.082   0.339
  164    HA3  GLY  22           HA1      GLY  22  -1.789 -16.469   1.464
  165    H    VAL  23           H        VAL  23  -1.413 -16.657  -1.573
  166    HA   VAL  23           HA       VAL  23  -1.191 -14.178  -2.771
  167    HB   VAL  23           HB       VAL  23  -2.815 -16.571  -3.677
  168   HG11  VAL  23          HG11      VAL  23  -3.515 -14.543  -4.868
  169   HG12  VAL  23          HG12      VAL  23  -2.642 -15.648  -5.932
  170   HG13  VAL  23          3HG1      VAL  23  -1.831 -14.219  -5.286
  171   HG21  VAL  23          HG21      VAL  23  -0.026 -15.678  -4.356
  172   HG22  VAL  23          HG22      VAL  23  -0.872 -17.069  -5.039
  173   HG23  VAL  23          HG23      VAL  23  -0.453 -17.043  -3.323
  174    H    GLU  24           H        GLU  24  -4.092 -15.728  -1.492
  175    HA   GLU  24           HA       GLU  24  -5.983 -13.886  -2.404
  176    HB2  GLU  24           HB2      GLU  24  -6.007 -15.503   0.148
  177    HB3  GLU  24           HB1      GLU  24  -7.384 -14.612  -0.470
  178    HG2  GLU  24           HG2      GLU  24  -7.381 -16.008  -2.473
  179    HG3  GLU  24           HG1      GLU  24  -5.992 -16.895  -1.844
  180    H    ARG  25           H        ARG  25  -4.227 -13.921   0.662
  181    HA   ARG  25           HA       ARG  25  -5.327 -11.435   1.483
  182    HB2  ARG  25           HB2      ARG  25  -3.135 -13.150   2.604
  183    HB3  ARG  25           HB1      ARG  25  -3.556 -11.594   3.309
  184    HG2  ARG  25           HG2      ARG  25  -5.817 -12.349   3.713
  185    HG3  ARG  25           HG1      ARG  25  -5.477 -13.887   2.935
  186    HD2  ARG  25           HD2      ARG  25  -4.045 -12.861   5.377
  187    HD3  ARG  25           HD1      ARG  25  -5.442 -13.933   5.432
  188    HE   ARG  25           HE       ARG  25  -3.839 -15.339   3.896
  189   HH11  ARG  25          HH11      ARG  25  -2.818 -13.450   6.708
  190   HH12  ARG  25          HH12      ARG  25  -1.810 -14.679   7.347
  191   HH21  ARG  25          HH21      ARG  25  -2.401 -17.008   4.772
  192   HH22  ARG  25          HH22      ARG  25  -1.545 -16.696   6.207
  193    H    GLN  26           H        GLN  26  -2.500 -12.353  -0.264
  194    HA   GLN  26           HA       GLN  26  -1.087  -9.920  -0.132
  195    HB2  GLN  26           HB2      GLN  26  -0.117 -11.949  -1.108
  196    HB3  GLN  26           HB1      GLN  26  -1.300 -11.886  -2.410
  197    HG2  GLN  26           HG2      GLN  26  -0.360  -9.691  -3.080
  198    HG3  GLN  26           HG1      GLN  26   0.896  -9.907  -1.869
  199   HE21  GLN  26          1HE2      GLN  26  -0.430 -12.468  -3.859
  200   HE22  GLN  26          2HE2      GLN  26   1.020 -12.748  -4.744
  201    H    ARG  27           H        ARG  27  -3.479 -11.112  -2.470
  202    HA   ARG  27           HA       ARG  27  -3.656  -8.747  -3.992
  203    HB2  ARG  27           HB2      ARG  27  -4.468 -10.916  -4.819
  204    HB3  ARG  27           HB1      ARG  27  -5.734 -10.914  -3.598
  205    HG2  ARG  27           HG2      ARG  27  -6.722  -8.932  -4.611
  206    HG3  ARG  27           HG1      ARG  27  -5.451  -8.909  -5.829
  207    HD2  ARG  27           HD2      ARG  27  -6.186 -11.126  -6.597
  208    HD3  ARG  27           HD1      ARG  27  -7.483 -11.090  -5.402
  209    HE   ARG  27           HE       ARG  27  -7.655  -8.772  -6.919
  210   HH11  ARG  27          HH11      ARG  27  -8.157 -12.246  -7.361
  211   HH12  ARG  27          HH12      ARG  27  -9.238 -12.057  -8.654
  212   HH21  ARG  27          HH21      ARG  27  -9.110  -8.534  -8.672
  213   HH22  ARG  27          HH22      ARG  27  -9.800  -9.907  -9.409
  214    H    ARG  28           H        ARG  28  -5.290  -9.857  -1.137
  215    HA   ARG  28           HA       ARG  28  -7.275  -7.897  -0.899
  216    HB2  ARG  28           HB2      ARG  28  -7.023  -9.972   0.489
  217    HB3  ARG  28           HB1      ARG  28  -5.683  -9.192   1.307
  218    HG2  ARG  28           HG2      ARG  28  -7.205  -7.415   2.061
  219    HG3  ARG  28           HG1      ARG  28  -8.534  -8.290   1.291
  220    HD2  ARG  28           HD2      ARG  28  -8.017 -10.237   2.696
  221    HD3  ARG  28           HD1      ARG  28  -6.795  -9.274   3.525
  222    HE   ARG  28           HE       ARG  28  -9.435  -8.139   3.456
  223   HH11  ARG  28          HH11      ARG  28  -7.081 -10.035   5.312
  224   HH12  ARG  28          HH12      ARG  28  -7.939  -9.929   6.761
  225   HH21  ARG  28          HH21      ARG  28 -10.594  -7.972   5.470
  226   HH22  ARG  28          HH22      ARG  28  -9.991  -8.746   6.852
  227    H    CYS  29           H        CYS  29  -3.974  -8.069   0.437
  228    HA   CYS  29           HA       CYS  29  -3.963  -5.536   1.548
  229    HB2  CYS  29           HB2      CYS  29  -1.766  -7.390   0.745
  230    HB3  CYS  29           HB1      CYS  29  -1.446  -5.807   1.443
  231    H    GLN  30           H        GLN  30  -3.408  -6.544  -1.729
  232    HA   GLN  30           HA       GLN  30  -1.996  -4.331  -2.664
  233    HB2  GLN  30           HB2      GLN  30  -2.448  -6.259  -4.109
  234    HB3  GLN  30           HB1      GLN  30  -4.167  -5.896  -4.088
  235    HG2  GLN  30           HG2      GLN  30  -3.697  -3.747  -5.216
  236    HG3  GLN  30           HG1      GLN  30  -1.997  -4.190  -5.298
  237   HE21  GLN  30          1HE2      GLN  30  -2.620  -7.026  -5.885
  238   HE22  GLN  30          2HE2      GLN  30  -3.152  -7.027  -7.518
  239    H    GLN  31           H        GLN  31  -5.484  -4.794  -2.276
  240    HA   GLN  31           HA       GLN  31  -5.988  -2.101  -3.103
  241    HB2  GLN  31           HB2      GLN  31  -7.597  -3.869  -3.623
  242    HB3  GLN  31           HB1      GLN  31  -7.883  -4.121  -1.909
  243    HG2  GLN  31           HG2      GLN  31  -9.665  -2.796  -3.003
  244    HG3  GLN  31           HG1      GLN  31  -8.871  -1.934  -1.689
  245   HE21  GLN  31          1HE2      GLN  31  -7.415  -2.340  -4.865
  246   HE22  GLN  31          2HE2      GLN  31  -7.474  -0.667  -5.269
  247    H    VAL  32           H        VAL  32  -5.868  -3.816  -0.029
  248    HA   VAL  32           HA       VAL  32  -6.816  -1.722   1.591
  249    HB   VAL  32           HB       VAL  32  -4.737  -3.825   2.319
  250   HG11  VAL  32          HG11      VAL  32  -5.345  -3.387   4.659
  251   HG12  VAL  32          HG12      VAL  32  -6.390  -2.068   4.136
  252   HG13  VAL  32          3HG1      VAL  32  -4.651  -1.962   3.886
  253   HG21  VAL  32          HG21      VAL  32  -7.724  -3.785   2.763
  254   HG22  VAL  32          HG22      VAL  32  -6.618  -5.019   3.359
  255   HG23  VAL  32          HG23      VAL  32  -6.854  -4.813   1.625
  256    H    CYS  33           H        CYS  33  -3.497  -2.517   0.635
  257    HA   CYS  33           HA       CYS  33  -2.368  -0.265   1.905
  258    HB2  CYS  33           HB2      CYS  33  -1.262  -2.036  -0.269
  259    HB3  CYS  33           HB1      CYS  33  -0.335  -0.837   0.631
  260    H    GLU  34           H        GLU  34  -3.752  -0.803  -1.277
  261    HA   GLU  34           HA       GLU  34  -2.706   1.545  -2.453
  262    HB2  GLU  34           HB2      GLU  34  -3.715  -0.342  -3.763
  263    HB3  GLU  34           HB1      GLU  34  -5.280   0.104  -3.114
  264    HG2  GLU  34           HG2      GLU  34  -5.151   2.264  -4.199
  265    HG3  GLU  34           HG1      GLU  34  -3.553   1.868  -4.821
  266    H    LYS  35           H        LYS  35  -5.714   0.771  -0.780
  267    HA   LYS  35           HA       LYS  35  -6.832   3.336  -0.963
  268    HB2  LYS  35           HB2      LYS  35  -8.136   1.338  -0.382
  269    HB3  LYS  35           HB1      LYS  35  -7.284   1.221   1.149
  270    HG2  LYS  35           HG2      LYS  35  -8.237   3.309   1.898
  271    HG3  LYS  35           HG1      LYS  35  -8.994   3.559   0.332
  272    HD2  LYS  35           HD2      LYS  35  -9.601   1.239   2.166
  273    HD3  LYS  35           HD1      LYS  35 -10.563   2.712   2.069
  274    HE2  LYS  35           HE2      LYS  35 -10.076   0.730  -0.163
  275    HE3  LYS  35           HE1      LYS  35 -11.574   0.968   0.727
  276    HZ1  LYS  35           HZ1      LYS  35 -11.670   3.255  -0.180
  277    HZ2  LYS  35           HZ2      LYS  35 -11.689   2.089  -1.370
  278    HZ3  LYS  35           HZ3      LYS  35 -10.285   2.944  -1.087
  279    H    ARG  36           H        ARG  36  -4.774   1.846   1.474
  280    HA   ARG  36           HA       ARG  36  -4.652   4.005   3.279
  281    HB2  ARG  36           HB2      ARG  36  -2.545   1.945   2.601
  282    HB3  ARG  36           HB1      ARG  36  -2.389   3.103   3.906
  283    HG2  ARG  36           HG2      ARG  36  -4.521   0.983   3.693
  284    HG3  ARG  36           HG1      ARG  36  -3.073   0.889   4.692
  285    HD2  ARG  36           HD2      ARG  36  -5.306   2.901   4.953
  286    HD3  ARG  36           HD1      ARG  36  -4.981   1.548   6.033
  287    HE   ARG  36           HE       ARG  36  -2.697   3.170   5.863
  288   HH11  ARG  36          HH11      ARG  36  -5.941   3.227   7.241
  289   HH12  ARG  36          HH12      ARG  36  -5.543   4.308   8.495
  290   HH21  ARG  36          HH21      ARG  36  -2.143   4.652   7.551
  291   HH22  ARG  36          HH22      ARG  36  -3.317   5.130   8.695
  292    H    LEU  37           H        LEU  37  -2.893   3.343   0.324
  293    HA   LEU  37           HA       LEU  37  -1.092   5.510   0.546
  294    HB2  LEU  37           HB2      LEU  37  -0.814   3.408  -0.854
  295    HB3  LEU  37           HB1      LEU  37  -1.995   4.057  -1.957
  296    HG   LEU  37           HG       LEU  37   0.364   4.249  -2.745
  297   HD11  LEU  37          HD11      LEU  37  -1.272   5.721  -3.675
  298   HD12  LEU  37          HD12      LEU  37   0.287   6.531  -3.516
  299   HD13  LEU  37          HD13      LEU  37  -1.013   6.880  -2.370
  300   HD21  LEU  37          HD21      LEU  37   1.844   5.893  -1.747
  301   HD22  LEU  37          HD22      LEU  37   1.417   4.640  -0.580
  302   HD23  LEU  37          HD23      LEU  37   0.652   6.228  -0.491
  303    H    ARG  38           H        ARG  38  -4.218   5.035  -1.056
  304    HA   ARG  38           HA       ARG  38  -4.400   7.534  -2.329
  305    HB2  ARG  38           HB2      ARG  38  -6.644   5.831  -1.267
  306    HB3  ARG  38           HB1      ARG  38  -6.836   7.177  -2.378
  307    HG2  ARG  38           HG2      ARG  38  -5.423   4.575  -2.896
  308    HG3  ARG  38           HG1      ARG  38  -6.957   5.115  -3.578
  309    HD2  ARG  38           HD2      ARG  38  -5.777   6.964  -4.705
  310    HD3  ARG  38           HD1      ARG  38  -4.251   6.367  -4.051
  311    HE   ARG  38           HE       ARG  38  -5.797   4.461  -5.503
  312   HH11  ARG  38          HH11      ARG  38  -3.168   6.885  -5.718
  313   HH12  ARG  38          HH12      ARG  38  -2.557   6.261  -7.177
  314   HH21  ARG  38          HH21      ARG  38  -4.881   3.618  -7.529
  315   HH22  ARG  38          HH22      ARG  38  -3.529   4.395  -8.210
  316    H    GLU  39           H        GLU  39  -5.275   6.549   0.904
  317    HA   GLU  39           HA       GLU  39  -6.427   9.044   1.618
  318    HB2  GLU  39           HB2      GLU  39  -5.231   6.910   3.357
  319    HB3  GLU  39           HB1      GLU  39  -6.238   8.233   3.933
  320    HG2  GLU  39           HG2      GLU  39  -7.077   5.984   2.104
  321    HG3  GLU  39           HG1      GLU  39  -7.546   6.213   3.788
  322    H    ARG  40           H        ARG  40  -3.231   7.705   1.752
  323    HA   ARG  40           HA       ARG  40  -2.071   9.779   3.284
  324    HB2  ARG  40           HB2      ARG  40  -0.995   7.612   3.135
  325    HB3  ARG  40           HB1      ARG  40  -0.829   7.784   1.395
  326    HG2  ARG  40           HG2      ARG  40   0.691   9.608   1.672
  327    HG3  ARG  40           HG1      ARG  40   0.501   9.555   3.426
  328    HD2  ARG  40           HD2      ARG  40   1.470   7.333   3.479
  329    HD3  ARG  40           HD1      ARG  40   1.588   7.319   1.719
  330    HE   ARG  40           HE       ARG  40   2.955   9.481   2.267
  331   HH11  ARG  40          HH11      ARG  40   3.100   6.383   3.972
  332   HH12  ARG  40          HH12      ARG  40   4.787   6.408   4.194
  333   HH21  ARG  40          HH21      ARG  40   5.286   9.574   2.645
  334   HH22  ARG  40          HH22      ARG  40   6.050   8.331   3.481
  335    H    GLU  41           H        GLU  41  -2.174   9.149  -0.230
  336    HA   GLU  41           HA       GLU  41  -0.795  11.528  -0.872
  337    HB2  GLU  41           HB2      GLU  41  -1.575  11.185  -3.208
  338    HB3  GLU  41           HB1      GLU  41  -0.828   9.751  -2.527
  339    HG2  GLU  41           HG2      GLU  41  -2.889   8.699  -2.239
  340    HG3  GLU  41           HG1      GLU  41  -3.798  10.169  -2.584
  341    H    GLY  42           H        GLY  42  -4.216  10.772  -0.462
  342    HA2  GLY  42           HA2      GLY  42  -5.198  13.226  -1.485
  343    HA3  GLY  42           HA1      GLY  42  -6.061  12.134  -0.407
  344    H    ARG  43           H        ARG  43  -3.983  12.256   1.594
  345    HA   ARG  43           HA       ARG  43  -4.864  14.511   3.079
  346    HB2  ARG  43           HB2      ARG  43  -4.238  12.390   4.125
  347    HB3  ARG  43           HB1      ARG  43  -2.595  12.571   3.554
  348    HG2  ARG  43           HG2      ARG  43  -2.353  14.566   4.997
  349    HG3  ARG  43           HG1      ARG  43  -3.990  14.289   5.601
  350    HD2  ARG  43           HD2      ARG  43  -1.699  12.335   5.797
  351    HD3  ARG  43           HD1      ARG  43  -2.270  13.364   7.109
  352    HE   ARG  43           HE       ARG  43  -4.496  12.084   6.526
  353   HH11  ARG  43          HH11      ARG  43  -1.241  10.690   6.758
  354   HH12  ARG  43          HH12      ARG  43  -1.775   9.197   7.336
  355   HH21  ARG  43          HH21      ARG  43  -5.224  10.058   7.303
  356   HH22  ARG  43          HH22      ARG  43  -4.121   8.806   7.651
  357    H    ARG  44           H        ARG  44  -2.158  13.881   1.003
  358    HA   ARG  44           HA       ARG  44  -0.781  16.313   1.849
  359    HB2  ARG  44           HB2      ARG  44   0.583  14.288   1.487
  360    HB3  ARG  44           HB1      ARG  44   0.027  14.211  -0.178
  361    HG2  ARG  44           HG2      ARG  44   1.131  16.298  -0.675
  362    HG3  ARG  44           HG1      ARG  44   1.631  16.463   1.005
  363    HD2  ARG  44           HD2      ARG  44   2.974  14.434   0.805
  364    HD3  ARG  44           HD1      ARG  44   2.467  14.241  -0.869
  365    HE   ARG  44           HE       ARG  44   3.737  16.731  -0.112
  366   HH11  ARG  44          HH11      ARG  44   4.150  13.586  -1.704
  367   HH12  ARG  44          HH12      ARG  44   5.541  14.053  -2.566
  368   HH21  ARG  44          HH21      ARG  44   5.626  17.363  -1.289
  369   HH22  ARG  44          HH22      ARG  44   6.367  16.259  -2.350
  370    H    GLU  45           H        GLU  45  -1.926  14.852  -1.167
  371    HA   GLU  45           HA       GLU  45  -2.017  17.458  -2.431
  372    HB2  GLU  45           HB2      GLU  45  -0.831  15.724  -3.669
  373    HB3  GLU  45           HB1      GLU  45  -2.198  14.636  -3.523
  374    HG2  GLU  45           HG2      GLU  45  -3.521  16.058  -4.976
  375    HG3  GLU  45           HG1      GLU  45  -2.205  17.227  -5.063
  376    H    VAL  46           H        VAL  46  -3.864  18.395  -1.867
  377    HA   VAL  46           HA       VAL  46  -6.290  16.859  -1.574
  378    HB   VAL  46           HB       VAL  46  -7.374  18.987  -0.953
  379   HG11  VAL  46          HG11      VAL  46  -6.269  17.723   0.787
  380   HG12  VAL  46          HG12      VAL  46  -6.089  19.452   1.091
  381   HG13  VAL  46          3HG1      VAL  46  -4.742  18.526   0.431
  382   HG21  VAL  46          HG21      VAL  46  -6.090  21.053  -0.760
  383   HG22  VAL  46          HG22      VAL  46  -6.115  20.496  -2.436
  384   HG23  VAL  46          HG23      VAL  46  -4.676  20.255  -1.444
  385    H    ASP  47           H        ASP  47  -8.225  17.302  -2.787
  386    HA   ASP  47           HA       ASP  47  -7.662  18.322  -5.476
  387    HB2  ASP  47           HB2      ASP  47  -7.840  15.847  -5.461
  388    HB3  ASP  47           HB1      ASP  47  -9.448  15.993  -4.754
  Start of MODEL   18
    1    H2   PRO   1           HT1      PRO   1   5.065  13.993   2.903
    2    H3   PRO   1           HT2      PRO   1   3.965  14.851   3.743
    3    HA   PRO   1           HA       PRO   1   3.698  13.349   5.184
    4    HB2  PRO   1           HB2      PRO   1   4.187  10.880   3.911
    5    HB3  PRO   1           HB1      PRO   1   2.621  11.500   4.451
    6    HG2  PRO   1           HG2      PRO   1   3.837  11.533   1.752
    7    HG3  PRO   1           HG1      PRO   1   2.129  11.571   2.210
    8    HD2  PRO   1           HD2      PRO   1   3.393  13.749   1.252
    9    HD3  PRO   1           HD1      PRO   1   2.117  13.869   2.468
   10    H    ARG   2           H        ARG   2   5.197  11.468   6.037
   11    HA   ARG   2           HA       ARG   2   7.859  12.446   5.908
   12    HB2  ARG   2           HB2      ARG   2   6.936  11.503   7.958
   13    HB3  ARG   2           HB1      ARG   2   6.698   9.956   7.171
   14    HG2  ARG   2           HG2      ARG   2   9.131   9.741   6.903
   15    HG3  ARG   2           HG1      ARG   2   9.338  11.272   7.754
   16    HD2  ARG   2           HD2      ARG   2   8.298  10.348   9.735
   17    HD3  ARG   2           HD1      ARG   2   7.981   8.833   8.890
   18    HE   ARG   2           HE       ARG   2  10.724   9.583   8.883
   19   HH11  ARG   2          HH11      ARG   2   8.248   8.106  10.899
   20   HH12  ARG   2          HH12      ARG   2   9.306   7.081  11.745
   21   HH21  ARG   2          HH21      ARG   2  12.222   8.163  10.035
   22   HH22  ARG   2          HH22      ARG   2  11.637   7.099  11.218
   23    H    GLY   3           H        GLY   3   9.292  11.990   4.411
   24    HA2  GLY   3           HA2      GLY   3  10.604  10.699   3.026
   25    HA3  GLY   3           HA1      GLY   3   9.519   9.339   3.300
   26    H    SER   4           H        SER   4   7.402   9.477   2.321
   27    HA   SER   4           HA       SER   4   6.734  11.176   0.205
   28    HB2  SER   4           HB2      SER   4   7.133   9.569  -1.662
   29    HB3  SER   4           HB1      SER   4   8.643  10.137  -0.951
   30    HG   SER   4           HG       SER   4   8.910   8.208   0.064
   31    HA   PRO   5           HA       PRO   5   3.003   8.649   0.885
   32    HB2  PRO   5           HB2      PRO   5   2.572   8.623  -2.060
   33    HB3  PRO   5           HB1      PRO   5   1.487   9.188  -0.786
   34    HG2  PRO   5           HG2      PRO   5   2.707  10.955  -2.344
   35    HG3  PRO   5           HG1      PRO   5   2.561  11.229  -0.595
   36    HD2  PRO   5           HD2      PRO   5   4.933  10.265  -2.143
   37    HD3  PRO   5           HD1      PRO   5   4.849  11.490  -0.859
   38    H    ARG   6           H        ARG   6   5.107   7.950  -1.755
   39    HA   ARG   6           HA       ARG   6   4.423   5.341  -2.434
   40    HB2  ARG   6           HB2      ARG   6   5.905   6.677  -3.814
   41    HB3  ARG   6           HB1      ARG   6   7.137   6.650  -2.565
   42    HG2  ARG   6           HG2      ARG   6   7.730   5.117  -4.325
   43    HG3  ARG   6           HG1      ARG   6   7.350   4.208  -2.867
   44    HD2  ARG   6           HD2      ARG   6   5.119   3.717  -3.758
   45    HD3  ARG   6           HD1      ARG   6   5.496   4.635  -5.216
   46    HE   ARG   6           HE       ARG   6   7.354   2.497  -4.645
   47   HH11  ARG   6          HH11      ARG   6   4.260   3.236  -6.249
   48   HH12  ARG   6          HH12      ARG   6   4.417   1.990  -7.388
   49   HH21  ARG   6          HH21      ARG   6   7.527   0.823  -6.171
   50   HH22  ARG   6          HH22      ARG   6   6.318   0.571  -7.354
   51    H    THR   7           H        THR   7   6.698   6.407   0.098
   52    HA   THR   7           HA       THR   7   7.837   3.920   0.568
   53    HB   THR   7           HB       THR   7   8.847   5.971   1.488
   54    HG1  THR   7           HG1      THR   7   9.734   4.889   3.014
   55   HG21  THR   7          HG21      THR   7   8.002   6.972   3.565
   56   HG22  THR   7          HG22      THR   7   6.600   5.901   3.505
   57   HG23  THR   7          HG23      THR   7   6.830   7.125   2.256
   58    H    GLU   8           H        GLU   8   4.814   5.182   1.822
   59    HA   GLU   8           HA       GLU   8   4.421   3.191   3.810
   60    HB2  GLU   8           HB2      GLU   8   3.226   5.350   3.798
   61    HB3  GLU   8           HB1      GLU   8   2.400   4.878   2.321
   62    HG2  GLU   8           HG2      GLU   8   1.449   2.933   3.583
   63    HG3  GLU   8           HG1      GLU   8   2.126   3.638   5.044
   64    H    TYR   9           H        TYR   9   3.133   3.671   0.527
   65    HA   TYR   9           HA       TYR   9   1.530   1.432   0.431
   66    HB2  TYR   9           HB2      TYR   9   1.024   3.189  -0.951
   67    HB3  TYR   9           HB1      TYR   9   2.685   3.407  -1.462
   68    HD1  TYR   9           HD1      TYR   9   3.459   2.453  -3.298
   69    HD2  TYR   9           HD2      TYR   9  -0.259   1.230  -1.820
   70    HE1  TYR   9           HE1      TYR   9   3.085   1.217  -5.407
   71    HE2  TYR   9           HE2      TYR   9  -0.717  -0.030  -3.892
   72    HH   TYR   9           HH       TYR   9  -0.032  -0.006  -6.172
   73    H    GLU  10           H        GLU  10   4.767   2.026  -0.869
   74    HA   GLU  10           HA       GLU  10   5.089  -0.424  -2.159
   75    HB2  GLU  10           HB2      GLU  10   6.433   1.651  -2.487
   76    HB3  GLU  10           HB1      GLU  10   7.222   1.332  -0.955
   77    HG2  GLU  10           HG2      GLU  10   8.171  -0.700  -1.832
   78    HG3  GLU  10           HG1      GLU  10   7.304  -0.469  -3.353
   79    H    ALA  11           H        ALA  11   6.100   0.600   1.117
   80    HA   ALA  11           HA       ALA  11   7.280  -1.863   1.829
   81    HB1  ALA  11           HB1      ALA  11   6.089   0.248   3.628
   82    HB2  ALA  11           HB2      ALA  11   7.757   0.206   3.051
   83    HB3  ALA  11           HB3      ALA  11   7.168  -1.052   4.134
   84    H    CYS  12           H        CYS  12   4.038  -0.572   2.158
   85    HA   CYS  12           HA       CYS  12   2.872  -2.507   3.760
   86    HB2  CYS  12           HB2      CYS  12   1.825  -0.356   3.107
   87    HB3  CYS  12           HB1      CYS  12   1.629  -0.963   1.475
   88    H    ARG  13           H        ARG  13   3.390  -2.486   0.238
   89    HA   ARG  13           HA       ARG  13   1.908  -4.835  -0.299
   90    HB2  ARG  13           HB2      ARG  13   4.242  -3.739  -1.888
   91    HB3  ARG  13           HB1      ARG  13   3.107  -4.953  -2.450
   92    HG2  ARG  13           HG2      ARG  13   1.299  -3.222  -2.171
   93    HG3  ARG  13           HG1      ARG  13   2.586  -2.047  -1.906
   94    HD2  ARG  13           HD2      ARG  13   2.158  -3.734  -4.373
   95    HD3  ARG  13           HD1      ARG  13   1.884  -2.004  -4.227
   96    HE   ARG  13           HE       ARG  13   4.599  -2.776  -3.656
   97   HH11  ARG  13          HH11      ARG  13   2.351  -1.875  -6.244
   98   HH12  ARG  13          HH12      ARG  13   3.580  -1.542  -7.376
   99   HH21  ARG  13          HH21      ARG  13   6.269  -2.290  -5.227
  100   HH22  ARG  13          HH22      ARG  13   5.841  -1.779  -6.797
  101    H    VAL  14           H        VAL  14   5.341  -4.284   0.274
  102    HA   VAL  14           HA       VAL  14   6.126  -7.014   0.031
  103    HB   VAL  14           HB       VAL  14   7.500  -4.798   1.592
  104   HG11  VAL  14          HG11      VAL  14   9.551  -6.104   1.279
  105   HG12  VAL  14          HG12      VAL  14   8.620  -7.375   0.489
  106   HG13  VAL  14          3HG1      VAL  14   8.340  -7.008   2.190
  107   HG21  VAL  14          HG21      VAL  14   7.889  -5.654  -1.276
  108   HG22  VAL  14          HG22      VAL  14   8.867  -4.462  -0.418
  109   HG23  VAL  14          HG23      VAL  14   7.161  -4.144  -0.727
  110    H    ARG  15           H        ARG  15   5.127  -5.034   2.760
  111    HA   ARG  15           HA       ARG  15   5.739  -6.697   4.891
  112    HB2  ARG  15           HB2      ARG  15   4.885  -4.373   5.077
  113    HB3  ARG  15           HB1      ARG  15   3.290  -4.950   4.621
  114    HG2  ARG  15           HG2      ARG  15   3.259  -6.378   6.619
  115    HG3  ARG  15           HG1      ARG  15   4.821  -5.722   7.096
  116    HD2  ARG  15           HD2      ARG  15   3.769  -3.445   7.051
  117    HD3  ARG  15           HD1      ARG  15   2.215  -4.245   6.815
  118    HE   ARG  15           HE       ARG  15   3.923  -4.856   9.103
  119   HH11  ARG  15          HH11      ARG  15   0.759  -3.768   7.862
  120   HH12  ARG  15          HH12      ARG  15   0.027  -3.763   9.403
  121   HH21  ARG  15          HH21      ARG  15   2.854  -4.809  11.226
  122   HH22  ARG  15          HH22      ARG  15   1.226  -4.322  11.307
  123    H    CYS  16           H        CYS  16   2.623  -6.521   3.155
  124    HA   CYS  16           HA       CYS  16   1.673  -8.838   4.495
  125    HB2  CYS  16           HB2      CYS  16   0.594  -7.182   2.279
  126    HB3  CYS  16           HB1      CYS  16  -0.127  -8.748   2.629
  127    H    GLN  17           H        GLN  17   3.556  -8.411   1.673
  128    HA   GLN  17           HA       GLN  17   2.903 -10.847   0.417
  129    HB2  GLN  17           HB2      GLN  17   4.116  -8.984  -0.688
  130    HB3  GLN  17           HB1      GLN  17   5.493  -9.284   0.357
  131    HG2  GLN  17           HG2      GLN  17   5.814 -11.440  -0.616
  132    HG3  GLN  17           HG1      GLN  17   4.373 -11.240  -1.624
  133   HE21  GLN  17          1HE2      GLN  17   7.651 -10.374  -1.117
  134   HE22  GLN  17          2HE2      GLN  17   7.911  -9.585  -2.631
  135    H    VAL  18           H        VAL  18   5.207  -9.912   2.888
  136    HA   VAL  18           HA       VAL  18   6.295 -12.573   3.141
  137    HB   VAL  18           HB       VAL  18   6.713 -10.149   4.917
  138   HG11  VAL  18          HG11      VAL  18   8.345 -12.672   4.652
  139   HG12  VAL  18          HG12      VAL  18   7.322 -12.240   6.020
  140   HG13  VAL  18          3HG1      VAL  18   8.756 -11.280   5.655
  141   HG21  VAL  18          HG21      VAL  18   8.797  -9.815   3.689
  142   HG22  VAL  18          HG22      VAL  18   7.396  -9.688   2.625
  143   HG23  VAL  18          HG23      VAL  18   8.382 -11.153   2.623
  144    H    ALA  19           H        ALA  19   4.026 -10.511   4.875
  145    HA   ALA  19           HA       ALA  19   3.774 -12.277   7.099
  146    HB1  ALA  19           HB1      ALA  19   1.921 -10.048   6.304
  147    HB2  ALA  19           HB2      ALA  19   3.384  -9.855   7.269
  148    HB3  ALA  19           HB3      ALA  19   2.040 -10.817   7.887
  149    H    GLU  20           H        GLU  20   1.497 -11.527   4.448
  150    HA   GLU  20           HA       GLU  20  -0.374 -13.479   5.392
  151    HB2  GLU  20           HB2      GLU  20  -0.312 -12.031   2.741
  152    HB3  GLU  20           HB1      GLU  20  -1.672 -12.920   3.405
  153    HG2  GLU  20           HG2      GLU  20  -0.465 -10.406   4.538
  154    HG3  GLU  20           HG1      GLU  20  -1.983 -10.529   3.654
  155    H    HIS  21           H        HIS  21   1.789 -13.222   2.613
  156    HA   HIS  21           HA       HIS  21   2.895 -14.716   1.351
  157    HB2  HIS  21           HB2      HIS  21   3.447 -15.897   3.474
  158    HB3  HIS  21           HB1      HIS  21   1.967 -16.823   3.329
  159    HD1  HIS  21           HD1      HIS  21   5.527 -16.878   2.368
  160    HD2  HIS  21           HD2      HIS  21   2.008 -18.716   1.138
  161    HE1  HIS  21           HE1      HIS  21   6.218 -18.894   1.035
  162    H    GLY  22           H        GLY  22  -0.250 -16.057   2.287
  163    HA2  GLY  22           HA2      GLY  22  -0.660 -17.430  -0.178
  164    HA3  GLY  22           HA1      GLY  22  -1.901 -17.062   1.014
  165    H    VAL  23           H        VAL  23  -1.530 -16.758  -2.025
  166    HA   VAL  23           HA       VAL  23  -1.326 -14.077  -2.705
  167    HB   VAL  23           HB       VAL  23  -2.732 -16.287  -4.230
  168   HG11  VAL  23          HG11      VAL  23  -1.747 -13.608  -5.216
  169   HG12  VAL  23          HG12      VAL  23  -3.431 -14.064  -5.002
  170   HG13  VAL  23          3HG1      VAL  23  -2.443 -14.892  -6.209
  171   HG21  VAL  23          HG21      VAL  23  -0.376 -16.722  -3.752
  172   HG22  VAL  23          HG22      VAL  23   0.057 -15.166  -4.453
  173   HG23  VAL  23          HG23      VAL  23  -0.636 -16.429  -5.472
  174    H    GLU  24           H        GLU  24  -4.211 -15.907  -1.880
  175    HA   GLU  24           HA       GLU  24  -6.102 -13.988  -2.650
  176    HB2  GLU  24           HB2      GLU  24  -6.194 -16.183  -0.606
  177    HB3  GLU  24           HB1      GLU  24  -7.533 -15.065  -0.764
  178    HG2  GLU  24           HG2      GLU  24  -7.869 -17.176  -1.993
  179    HG3  GLU  24           HG1      GLU  24  -7.931 -15.757  -3.027
  180    H    ARG  25           H        ARG  25  -4.599 -14.419   0.538
  181    HA   ARG  25           HA       ARG  25  -5.876 -12.090   1.571
  182    HB2  ARG  25           HB2      ARG  25  -3.679 -13.830   2.626
  183    HB3  ARG  25           HB1      ARG  25  -4.225 -12.405   3.488
  184    HG2  ARG  25           HG2      ARG  25  -6.503 -13.362   3.524
  185    HG3  ARG  25           HG1      ARG  25  -5.864 -14.826   2.778
  186    HD2  ARG  25           HD2      ARG  25  -4.943 -13.657   5.393
  187    HD3  ARG  25           HD1      ARG  25  -6.079 -14.989   5.229
  188    HE   ARG  25           HE       ARG  25  -4.194 -16.164   4.053
  189   HH11  ARG  25          HH11      ARG  25  -3.357 -13.537   6.255
  190   HH12  ARG  25          HH12      ARG  25  -2.100 -14.374   7.027
  191   HH21  ARG  25          HH21      ARG  25  -2.378 -17.320   5.085
  192   HH22  ARG  25          HH22      ARG  25  -1.519 -16.543   6.337
  193    H    GLN  26           H        GLN  26  -2.802 -12.729   0.072
  194    HA   GLN  26           HA       GLN  26  -1.606 -10.258   0.731
  195    HB2  GLN  26           HB2      GLN  26  -0.338 -12.226  -0.041
  196    HB3  GLN  26           HB1      GLN  26  -1.102 -12.093  -1.616
  197    HG2  GLN  26           HG2      GLN  26  -0.061  -9.934  -1.949
  198    HG3  GLN  26           HG1      GLN  26   0.701 -10.051  -0.362
  199   HE21  GLN  26          1HE2      GLN  26   1.855  -9.804  -2.986
  200   HE22  GLN  26          2HE2      GLN  26   2.911 -11.161  -3.201
  201    H    ARG  27           H        ARG  27  -3.557 -11.375  -1.993
  202    HA   ARG  27           HA       ARG  27  -3.493  -9.062  -3.559
  203    HB2  ARG  27           HB2      ARG  27  -4.342 -11.309  -4.278
  204    HB3  ARG  27           HB1      ARG  27  -5.766 -11.052  -3.290
  205    HG2  ARG  27           HG2      ARG  27  -6.355 -10.589  -5.549
  206    HG3  ARG  27           HG1      ARG  27  -6.274  -9.044  -4.703
  207    HD2  ARG  27           HD2      ARG  27  -5.225  -8.845  -6.869
  208    HD3  ARG  27           HD1      ARG  27  -3.988  -8.705  -5.619
  209    HE   ARG  27           HE       ARG  27  -4.329 -11.371  -6.626
  210   HH11  ARG  27          HH11      ARG  27  -2.670  -8.313  -7.256
  211   HH12  ARG  27          HH12      ARG  27  -1.441  -9.001  -8.196
  212   HH21  ARG  27          HH21      ARG  27  -2.689 -12.321  -7.939
  213   HH22  ARG  27          HH22      ARG  27  -1.431 -11.351  -8.573
  214    H    ARG  28           H        ARG  28  -5.458  -9.990  -0.807
  215    HA   ARG  28           HA       ARG  28  -7.272  -7.799  -0.878
  216    HB2  ARG  28           HB2      ARG  28  -6.325  -9.462   1.460
  217    HB3  ARG  28           HB1      ARG  28  -7.579  -8.248   1.585
  218    HG2  ARG  28           HG2      ARG  28  -8.916  -9.535  -0.053
  219    HG3  ARG  28           HG1      ARG  28  -7.659 -10.777  -0.036
  220    HD2  ARG  28           HD2      ARG  28  -9.505 -11.356   1.463
  221    HD3  ARG  28           HD1      ARG  28  -8.003 -11.114   2.356
  222    HE   ARG  28           HE       ARG  28  -9.449  -8.703   2.264
  223   HH11  ARG  28          HH11      ARG  28  -9.588 -11.873   3.887
  224   HH12  ARG  28          HH12      ARG  28 -10.462 -11.289   5.218
  225   HH21  ARG  28          HH21      ARG  28 -10.641  -7.926   4.107
  226   HH22  ARG  28          HH22      ARG  28 -11.062  -8.982   5.360
  227    H    CYS  29           H        CYS  29  -4.285  -8.356   0.923
  228    HA   CYS  29           HA       CYS  29  -4.115  -5.971   2.290
  229    HB2  CYS  29           HB2      CYS  29  -2.157  -7.981   1.413
  230    HB3  CYS  29           HB1      CYS  29  -1.533  -6.415   1.903
  231    H    GLN  30           H        GLN  30  -2.758  -6.670  -0.940
  232    HA   GLN  30           HA       GLN  30  -1.512  -4.182  -1.146
  233    HB2  GLN  30           HB2      GLN  30  -1.264  -4.627  -3.543
  234    HB3  GLN  30           HB1      GLN  30  -0.853  -6.023  -2.571
  235    HG2  GLN  30           HG2      GLN  30  -3.084  -6.970  -3.083
  236    HG3  GLN  30           HG1      GLN  30  -3.368  -5.603  -4.161
  237   HE21  GLN  30          1HE2      GLN  30  -2.175  -5.438  -6.070
  238   HE22  GLN  30          2HE2      GLN  30  -1.282  -6.747  -6.712
  239    H    GLN  31           H        GLN  31  -4.803  -5.074  -1.741
  240    HA   GLN  31           HA       GLN  31  -5.508  -2.710  -3.155
  241    HB2  GLN  31           HB2      GLN  31  -7.209  -4.649  -1.591
  242    HB3  GLN  31           HB1      GLN  31  -7.833  -3.363  -2.619
  243    HG2  GLN  31           HG2      GLN  31  -6.800  -4.357  -4.549
  244    HG3  GLN  31           HG1      GLN  31  -6.085  -5.620  -3.545
  245   HE21  GLN  31          1HE2      GLN  31  -7.069  -7.181  -4.666
  246   HE22  GLN  31          2HE2      GLN  31  -8.748  -7.566  -4.553
  247    H    VAL  32           H        VAL  32  -5.533  -3.708   0.211
  248    HA   VAL  32           HA       VAL  32  -6.725  -1.370   1.276
  249    HB   VAL  32           HB       VAL  32  -4.688  -3.168   2.637
  250   HG11  VAL  32          HG11      VAL  32  -5.046  -1.099   3.840
  251   HG12  VAL  32          HG12      VAL  32  -5.775  -2.439   4.729
  252   HG13  VAL  32          3HG1      VAL  32  -6.790  -1.344   3.794
  253   HG21  VAL  32          HG21      VAL  32  -6.610  -4.408   3.553
  254   HG22  VAL  32          HG22      VAL  32  -6.525  -4.519   1.795
  255   HG23  VAL  32          HG23      VAL  32  -7.694  -3.440   2.554
  256    H    CYS  33           H        CYS  33  -3.423  -2.341   0.614
  257    HA   CYS  33           HA       CYS  33  -2.060  -0.144   1.636
  258    HB2  CYS  33           HB2      CYS  33  -1.318  -1.792  -0.791
  259    HB3  CYS  33           HB1      CYS  33  -0.227  -0.738   0.096
  260    H    GLU  34           H        GLU  34  -3.405  -0.597  -1.660
  261    HA   GLU  34           HA       GLU  34  -2.519   2.008  -2.415
  262    HB2  GLU  34           HB2      GLU  34  -3.718   1.649  -4.531
  263    HB3  GLU  34           HB1      GLU  34  -2.645   0.326  -4.139
  264    HG2  GLU  34           HG2      GLU  34  -4.531  -0.972  -3.358
  265    HG3  GLU  34           HG1      GLU  34  -5.620   0.352  -3.776
  266    H    LYS  35           H        LYS  35  -5.437   0.698  -1.085
  267    HA   LYS  35           HA       LYS  35  -7.151   2.866  -1.533
  268    HB2  LYS  35           HB2      LYS  35  -8.011   0.764  -0.648
  269    HB3  LYS  35           HB1      LYS  35  -6.997   0.908   0.773
  270    HG2  LYS  35           HG2      LYS  35  -9.296   1.422   1.336
  271    HG3  LYS  35           HG1      LYS  35  -8.290   2.854   1.509
  272    HD2  LYS  35           HD2      LYS  35 -10.390   3.468   0.479
  273    HD3  LYS  35           HD1      LYS  35  -9.098   3.639  -0.704
  274    HE2  LYS  35           HE2      LYS  35  -9.721   1.526  -1.727
  275    HE3  LYS  35           HE1      LYS  35 -10.944   1.259  -0.488
  276    HZ1  LYS  35           HZ1      LYS  35 -12.113   3.202  -1.264
  277    HZ2  LYS  35           HZ2      LYS  35 -11.922   2.123  -2.534
  278    HZ3  LYS  35           HZ3      LYS  35 -10.954   3.499  -2.444
  279    H    ARG  36           H        ARG  36  -5.029   2.130   1.228
  280    HA   ARG  36           HA       ARG  36  -5.455   4.593   2.564
  281    HB2  ARG  36           HB2      ARG  36  -2.992   2.868   2.704
  282    HB3  ARG  36           HB1      ARG  36  -3.451   4.105   3.851
  283    HG2  ARG  36           HG2      ARG  36  -5.455   2.722   4.398
  284    HG3  ARG  36           HG1      ARG  36  -4.759   1.449   3.385
  285    HD2  ARG  36           HD2      ARG  36  -3.569   2.693   5.846
  286    HD3  ARG  36           HD1      ARG  36  -4.093   1.020   5.651
  287    HE   ARG  36           HE       ARG  36  -2.151   1.484   3.732
  288   HH11  ARG  36          HH11      ARG  36  -2.228   1.592   7.269
  289   HH12  ARG  36          HH12      ARG  36  -0.605   1.112   7.452
  290   HH21  ARG  36          HH21      ARG  36   0.076   0.923   3.982
  291   HH22  ARG  36          HH22      ARG  36   0.756   0.700   5.521
  292    H    LEU  37           H        LEU  37  -3.294   3.584   0.049
  293    HA   LEU  37           HA       LEU  37  -1.533   5.778   0.146
  294    HB2  LEU  37           HB2      LEU  37  -1.030   3.616  -0.981
  295    HB3  LEU  37           HB1      LEU  37  -2.245   3.985  -2.172
  296    HG   LEU  37           HG       LEU  37   0.213   4.251  -2.848
  297   HD11  LEU  37          HD11      LEU  37  -0.213   6.202  -4.231
  298   HD12  LEU  37          HD12      LEU  37  -1.670   6.541  -3.290
  299   HD13  LEU  37          HD13      LEU  37  -1.559   5.061  -4.243
  300   HD21  LEU  37          HD21      LEU  37   1.253   6.394  -2.334
  301   HD22  LEU  37          HD22      LEU  37   0.980   5.451  -0.869
  302   HD23  LEU  37          HD23      LEU  37  -0.089   6.796  -1.266
  303    H    ARG  38           H        ARG  38  -4.524   5.182  -1.665
  304    HA   ARG  38           HA       ARG  38  -4.426   7.617  -3.093
  305    HB2  ARG  38           HB2      ARG  38  -5.891   5.719  -3.761
  306    HB3  ARG  38           HB1      ARG  38  -6.873   5.994  -2.332
  307    HG2  ARG  38           HG2      ARG  38  -7.583   8.135  -3.156
  308    HG3  ARG  38           HG1      ARG  38  -6.469   8.027  -4.514
  309    HD2  ARG  38           HD2      ARG  38  -7.698   6.122  -5.394
  310    HD3  ARG  38           HD1      ARG  38  -8.793   6.171  -4.010
  311    HE   ARG  38           HE       ARG  38  -9.157   8.588  -4.908
  312   HH11  ARG  38          HH11      ARG  38  -8.908   5.628  -6.872
  313   HH12  ARG  38          HH12      ARG  38  -9.932   6.207  -8.088
  314   HH21  ARG  38          HH21      ARG  38 -10.556   9.349  -6.608
  315   HH22  ARG  38          HH22      ARG  38 -10.896   8.353  -7.933
  316    H    GLU  39           H        GLU  39  -5.698   6.718   0.041
  317    HA   GLU  39           HA       GLU  39  -6.882   9.186   0.723
  318    HB2  GLU  39           HB2      GLU  39  -5.499   7.219   2.562
  319    HB3  GLU  39           HB1      GLU  39  -6.622   8.468   3.059
  320    HG2  GLU  39           HG2      GLU  39  -8.384   7.321   1.739
  321    HG3  GLU  39           HG1      GLU  39  -7.229   6.028   1.416
  322    H    ARG  40           H        ARG  40  -3.671   7.848   1.285
  323    HA   ARG  40           HA       ARG  40  -2.428   9.918   2.627
  324    HB2  ARG  40           HB2      ARG  40  -1.464   7.670   2.329
  325    HB3  ARG  40           HB1      ARG  40  -1.234   7.994   0.621
  326    HG2  ARG  40           HG2      ARG  40   0.860   8.185   1.810
  327    HG3  ARG  40           HG1      ARG  40   0.372   9.761   1.185
  328    HD2  ARG  40           HD2      ARG  40   1.223   9.961   3.450
  329    HD3  ARG  40           HD1      ARG  40  -0.492  10.363   3.395
  330    HE   ARG  40           HE       ARG  40   0.023   7.619   4.054
  331   HH11  ARG  40          HH11      ARG  40  -0.332  10.871   5.396
  332   HH12  ARG  40          HH12      ARG  40  -0.605  10.317   6.982
  333   HH21  ARG  40          HH21      ARG  40  -0.317   6.887   6.145
  334   HH22  ARG  40          HH22      ARG  40  -0.589   7.979   7.447
  335    H    GLU  41           H        GLU  41  -2.693   9.378  -0.863
  336    HA   GLU  41           HA       GLU  41  -1.194  11.610  -1.661
  337    HB2  GLU  41           HB2      GLU  41  -3.462  10.284  -3.122
  338    HB3  GLU  41           HB1      GLU  41  -2.327  11.426  -3.823
  339    HG2  GLU  41           HG2      GLU  41  -0.515   9.775  -3.150
  340    HG3  GLU  41           HG1      GLU  41  -1.835   8.633  -2.882
  341    H    GLY  42           H        GLY  42  -4.607  11.247  -0.924
  342    HA2  GLY  42           HA2      GLY  42  -5.327  13.880  -1.763
  343    HA3  GLY  42           HA1      GLY  42  -6.308  12.804  -0.778
  344    H    ARG  43           H        ARG  43  -3.833  12.637   0.991
  345    HA   ARG  43           HA       ARG  43  -4.501  14.898   2.670
  346    HB2  ARG  43           HB2      ARG  43  -2.453  12.713   3.111
  347    HB3  ARG  43           HB1      ARG  43  -2.987  13.881   4.312
  348    HG2  ARG  43           HG2      ARG  43  -5.229  12.954   4.247
  349    HG3  ARG  43           HG1      ARG  43  -4.734  11.820   2.993
  350    HD2  ARG  43           HD2      ARG  43  -3.039  10.923   4.631
  351    HD3  ARG  43           HD1      ARG  43  -3.818  11.946   5.843
  352    HE   ARG  43           HE       ARG  43  -5.756  10.415   4.566
  353   HH11  ARG  43          HH11      ARG  43  -3.173  10.087   6.969
  354   HH12  ARG  43          HH12      ARG  43  -3.785   8.669   7.680
  355   HH21  ARG  43          HH21      ARG  43  -6.629   8.440   5.541
  356   HH22  ARG  43          HH22      ARG  43  -5.801   7.697   6.831
  357    H    ARG  44           H        ARG  44  -1.996  13.855   0.518
  358    HA   ARG  44           HA       ARG  44  -0.175  15.965   1.256
  359    HB2  ARG  44           HB2      ARG  44   0.625  13.815   0.225
  360    HB3  ARG  44           HB1      ARG  44  -0.180  14.276  -1.270
  361    HG2  ARG  44           HG2      ARG  44   1.246  16.272  -1.406
  362    HG3  ARG  44           HG1      ARG  44   2.076  15.769   0.062
  363    HD2  ARG  44           HD2      ARG  44   2.691  13.644  -1.155
  364    HD3  ARG  44           HD1      ARG  44   2.064  14.396  -2.624
  365    HE   ARG  44           HE       ARG  44   3.845  16.167  -1.435
  366   HH11  ARG  44          HH11      ARG  44   3.961  13.128  -3.264
  367   HH12  ARG  44          HH12      ARG  44   5.607  13.265  -3.629
  368   HH21  ARG  44          HH21      ARG  44   6.098  16.338  -1.983
  369   HH22  ARG  44          HH22      ARG  44   6.845  15.125  -2.916
  370    H    GLU  45           H        GLU  45  -2.356  15.235  -1.398
  371    HA   GLU  45           HA       GLU  45  -2.238  18.005  -2.305
  372    HB2  GLU  45           HB2      GLU  45  -1.662  15.989  -3.800
  373    HB3  GLU  45           HB1      GLU  45  -3.374  15.613  -3.743
  374    HG2  GLU  45           HG2      GLU  45  -2.870  16.790  -5.762
  375    HG3  GLU  45           HG1      GLU  45  -3.853  17.814  -4.711
  376    H    VAL  46           H        VAL  46  -3.813  18.886  -0.922
  377    HA   VAL  46           HA       VAL  46  -6.290  17.399  -0.596
  378    HB   VAL  46           HB       VAL  46  -5.145  18.257   1.440
  379   HG11  VAL  46          HG11      VAL  46  -5.924  20.989   0.463
  380   HG12  VAL  46          HG12      VAL  46  -4.290  20.358   0.618
  381   HG13  VAL  46          3HG1      VAL  46  -5.274  20.611   2.060
  382   HG21  VAL  46          HG21      VAL  46  -7.508  17.738   1.548
  383   HG22  VAL  46          HG22      VAL  46  -7.911  19.362   0.988
  384   HG23  VAL  46          HG23      VAL  46  -7.147  19.137   2.562
  385    H    ASP  47           H        ASP  47  -5.121  20.308  -2.098
  386    HA   ASP  47           HA       ASP  47  -7.876  21.014  -2.734
  387    HB2  ASP  47           HB2      ASP  47  -7.128  23.278  -3.276
  388    HB3  ASP  47           HB1      ASP  47  -6.601  22.848  -1.659
  Start of MODEL   19
    1    H2   PRO   1           HT1      PRO   1   8.970  14.442  -9.576
    2    H3   PRO   1           HT2      PRO   1   9.443  13.737 -10.966
    3    HA   PRO   1           HA       PRO   1   8.575  11.878 -10.489
    4    HB2  PRO   1           HB2      PRO   1   8.624  11.602  -7.682
    5    HB3  PRO   1           HB1      PRO   1   9.637  10.746  -8.854
    6    HG2  PRO   1           HG2      PRO   1  10.249  13.152  -7.242
    7    HG3  PRO   1           HG1      PRO   1  11.341  11.909  -7.872
    8    HD2  PRO   1           HD2      PRO   1  11.230  14.372  -8.952
    9    HD3  PRO   1           HD1      PRO   1  11.509  12.935  -9.956
   10    H    ARG   2           H        ARG   2   6.666  11.167  -8.884
   11    HA   ARG   2           HA       ARG   2   4.974  13.533  -8.698
   12    HB2  ARG   2           HB2      ARG   2   3.075  11.984  -8.614
   13    HB3  ARG   2           HB1      ARG   2   4.080  11.660 -10.009
   14    HG2  ARG   2           HG2      ARG   2   5.109   9.774  -8.786
   15    HG3  ARG   2           HG1      ARG   2   3.989  10.074  -7.457
   16    HD2  ARG   2           HD2      ARG   2   3.189   9.435 -10.291
   17    HD3  ARG   2           HD1      ARG   2   3.246   8.262  -8.973
   18    HE   ARG   2           HE       ARG   2   1.611   9.943  -7.910
   19   HH11  ARG   2          HH11      ARG   2   1.689   8.983 -11.317
   20   HH12  ARG   2          HH12      ARG   2   0.024   9.216 -11.560
   21   HH21  ARG   2          HH21      ARG   2  -0.688  10.218  -8.238
   22   HH22  ARG   2          HH22      ARG   2  -1.358   9.941  -9.776
   23    H    GLY   3           H        GLY   3   3.271  13.222  -6.766
   24    HA2  GLY   3           HA2      GLY   3   4.867  13.552  -4.426
   25    HA3  GLY   3           HA1      GLY   3   3.121  13.678  -4.537
   26    H    SER   4           H        SER   4   3.186  10.883  -5.767
   27    HA   SER   4           HA       SER   4   2.435   9.397  -3.602
   28    HB2  SER   4           HB2      SER   4   3.702   8.328  -6.127
   29    HB3  SER   4           HB1      SER   4   2.603   7.477  -5.039
   30    HG   SER   4           HG       SER   4   1.167   9.418  -5.535
   31    HA   PRO   5           HA       PRO   5   6.305   8.923  -1.414
   32    HB2  PRO   5           HB2      PRO   5   5.362   7.161   0.452
   33    HB3  PRO   5           HB1      PRO   5   5.099   8.907   0.515
   34    HG2  PRO   5           HG2      PRO   5   3.280   6.741  -0.421
   35    HG3  PRO   5           HG1      PRO   5   2.906   8.187   0.533
   36    HD2  PRO   5           HD2      PRO   5   2.375   8.006  -2.091
   37    HD3  PRO   5           HD1      PRO   5   2.828   9.542  -1.332
   38    H    ARG   6           H        ARG   6   4.591   6.262  -2.804
   39    HA   ARG   6           HA       ARG   6   5.045   4.178  -3.418
   40    HB2  ARG   6           HB2      ARG   6   6.890   5.055  -4.729
   41    HB3  ARG   6           HB1      ARG   6   7.948   5.028  -3.322
   42    HG2  ARG   6           HG2      ARG   6   7.805   2.610  -3.216
   43    HG3  ARG   6           HG1      ARG   6   6.680   2.591  -4.558
   44    HD2  ARG   6           HD2      ARG   6   8.398   3.426  -6.045
   45    HD3  ARG   6           HD1      ARG   6   9.534   3.558  -4.696
   46    HE   ARG   6           HE       ARG   6   9.038   1.058  -4.453
   47   HH11  ARG   6          HH11      ARG   6   9.388   2.705  -7.582
   48   HH12  ARG   6          HH12      ARG   6   9.829   1.276  -8.405
   49   HH21  ARG   6          HH21      ARG   6   9.624  -0.789  -5.545
   50   HH22  ARG   6          HH22      ARG   6  10.021  -0.781  -7.216
   51    H    THR   7           H        THR   7   7.452   4.885  -0.917
   52    HA   THR   7           HA       THR   7   7.798   2.332   0.014
   53    HB   THR   7           HB       THR   7   9.288   4.075   0.742
   54    HG1  THR   7           HG1      THR   7   8.054   3.333   3.154
   55   HG21  THR   7          HG21      THR   7   7.751   5.964   0.876
   56   HG22  THR   7          HG22      THR   7   8.637   5.804   2.393
   57   HG23  THR   7          HG23      THR   7   6.964   5.252   2.283
   58    H    GLU   8           H        GLU   8   5.266   4.575   1.010
   59    HA   GLU   8           HA       GLU   8   4.086   3.157   3.094
   60    HB2  GLU   8           HB2      GLU   8   2.908   4.937   0.981
   61    HB3  GLU   8           HB1      GLU   8   1.958   4.276   2.299
   62    HG2  GLU   8           HG2      GLU   8   4.385   6.017   2.618
   63    HG3  GLU   8           HG1      GLU   8   2.710   6.573   2.712
   64    H    TYR   9           H        TYR   9   3.449   2.979  -0.366
   65    HA   TYR   9           HA       TYR   9   1.325   1.140  -0.183
   66    HB2  TYR   9           HB2      TYR   9   1.288   2.760  -1.864
   67    HB3  TYR   9           HB1      TYR   9   2.966   2.497  -2.288
   68    HD1  TYR   9           HD1      TYR   9  -0.459   1.387  -2.717
   69    HD2  TYR   9           HD2      TYR   9   3.581   0.760  -3.657
   70    HE1  TYR   9           HE1      TYR   9  -1.157  -0.059  -4.592
   71    HE2  TYR   9           HE2      TYR   9   2.973  -0.690  -5.537
   72    HH   TYR   9           HH       TYR   9  -0.168  -0.787  -6.741
   73    H    GLU  10           H        GLU  10   4.652   1.079  -1.321
   74    HA   GLU  10           HA       GLU  10   4.823  -1.562  -2.089
   75    HB2  GLU  10           HB2      GLU  10   6.367   0.123  -2.805
   76    HB3  GLU  10           HB1      GLU  10   6.917   0.374  -1.162
   77    HG2  GLU  10           HG2      GLU  10   7.977  -1.747  -1.117
   78    HG3  GLU  10           HG1      GLU  10   7.237  -2.200  -2.655
   79    H    ALA  11           H        ALA  11   5.892  -0.113   1.042
   80    HA   ALA  11           HA       ALA  11   6.794  -2.538   2.133
   81    HB1  ALA  11           HB1      ALA  11   7.422  -0.342   3.057
   82    HB2  ALA  11           HB2      ALA  11   6.760  -1.408   4.296
   83    HB3  ALA  11           HB3      ALA  11   5.766  -0.116   3.621
   84    H    CYS  12           H        CYS  12   3.660  -0.964   2.194
   85    HA   CYS  12           HA       CYS  12   2.294  -2.642   3.927
   86    HB2  CYS  12           HB2      CYS  12   1.347  -0.577   3.136
   87    HB3  CYS  12           HB1      CYS  12   1.438  -1.109   1.469
   88    H    ARG  13           H        ARG  13   2.789  -2.964   0.409
   89    HA   ARG  13           HA       ARG  13   1.377  -5.394   0.081
   90    HB2  ARG  13           HB2      ARG  13   3.555  -4.133  -1.592
   91    HB3  ARG  13           HB1      ARG  13   2.708  -5.599  -2.055
   92    HG2  ARG  13           HG2      ARG  13   0.606  -4.377  -2.134
   93    HG3  ARG  13           HG1      ARG  13   1.430  -2.907  -1.611
   94    HD2  ARG  13           HD2      ARG  13   1.070  -2.914  -4.037
   95    HD3  ARG  13           HD1      ARG  13   2.782  -2.921  -3.640
   96    HE   ARG  13           HE       ARG  13   2.239  -5.538  -3.965
   97   HH11  ARG  13          HH11      ARG  13   1.438  -2.769  -6.121
   98   HH12  ARG  13          HH12      ARG  13   1.711  -3.674  -7.513
   99   HH21  ARG  13          HH21      ARG  13   2.534  -6.706  -5.955
  100   HH22  ARG  13          HH22      ARG  13   2.337  -5.919  -7.448
  101    H    VAL  14           H        VAL  14   4.810  -4.675   0.467
  102    HA   VAL  14           HA       VAL  14   5.791  -7.288   0.341
  103    HB   VAL  14           HB       VAL  14   6.910  -4.897   1.846
  104   HG11  VAL  14          HG11      VAL  14   8.282  -7.475   1.078
  105   HG12  VAL  14          HG12      VAL  14   7.867  -6.972   2.717
  106   HG13  VAL  14          3HG1      VAL  14   9.062  -6.062   1.791
  107   HG21  VAL  14          HG21      VAL  14   7.533  -6.029  -0.875
  108   HG22  VAL  14          HG22      VAL  14   8.395  -4.702  -0.103
  109   HG23  VAL  14          HG23      VAL  14   6.696  -4.513  -0.538
  110    H    ARG  15           H        ARG  15   4.632  -5.416   3.095
  111    HA   ARG  15           HA       ARG  15   5.235  -7.102   5.178
  112    HB2  ARG  15           HB2      ARG  15   4.306  -4.863   5.499
  113    HB3  ARG  15           HB1      ARG  15   2.793  -5.369   4.789
  114    HG2  ARG  15           HG2      ARG  15   2.781  -5.149   7.280
  115    HG3  ARG  15           HG1      ARG  15   2.244  -6.709   6.665
  116    HD2  ARG  15           HD2      ARG  15   3.748  -6.805   8.656
  117    HD3  ARG  15           HD1      ARG  15   4.303  -7.749   7.275
  118    HE   ARG  15           HE       ARG  15   5.436  -5.156   7.287
  119   HH11  ARG  15          HH11      ARG  15   5.650  -8.218   9.026
  120   HH12  ARG  15          HH12      ARG  15   7.328  -8.135   9.293
  121   HH21  ARG  15          HH21      ARG  15   7.722  -4.990   7.663
  122   HH22  ARG  15          HH22      ARG  15   8.561  -6.220   8.495
  123    H    CYS  16           H        CYS  16   2.240  -7.116   3.255
  124    HA   CYS  16           HA       CYS  16   1.500  -9.563   4.522
  125    HB2  CYS  16           HB2      CYS  16   0.236  -8.050   2.272
  126    HB3  CYS  16           HB1      CYS  16  -0.368  -9.618   2.810
  127    H    GLN  17           H        GLN  17   3.248  -8.830   1.647
  128    HA   GLN  17           HA       GLN  17   2.879 -11.323   0.379
  129    HB2  GLN  17           HB2      GLN  17   3.677  -9.254  -0.738
  130    HB3  GLN  17           HB1      GLN  17   5.184  -9.386   0.149
  131    HG2  GLN  17           HG2      GLN  17   5.716 -11.433  -0.976
  132    HG3  GLN  17           HG1      GLN  17   4.160 -11.422  -1.806
  133   HE21  GLN  17          1HE2      GLN  17   6.800 -11.452  -2.911
  134   HE22  GLN  17          2HE2      GLN  17   6.957 -10.058  -3.911
  135    H    VAL  18           H        VAL  18   5.065 -10.199   2.851
  136    HA   VAL  18           HA       VAL  18   6.512 -12.730   2.812
  137    HB   VAL  18           HB       VAL  18   7.030 -10.242   4.473
  138   HG11  VAL  18          HG11      VAL  18   7.847 -12.243   5.611
  139   HG12  VAL  18          HG12      VAL  18   9.193 -11.272   5.018
  140   HG13  VAL  18          3HG1      VAL  18   8.713 -12.733   4.155
  141   HG21  VAL  18          HG21      VAL  18   8.960  -9.917   2.985
  142   HG22  VAL  18          HG22      VAL  18   7.438  -9.878   2.097
  143   HG23  VAL  18          HG23      VAL  18   8.457 -11.315   2.034
  144    H    ALA  19           H        ALA  19   4.605 -10.793   5.168
  145    HA   ALA  19           HA       ALA  19   4.913 -12.793   7.179
  146    HB1  ALA  19           HB1      ALA  19   3.518 -11.389   8.575
  147    HB2  ALA  19           HB2      ALA  19   3.057 -10.423   7.174
  148    HB3  ALA  19           HB3      ALA  19   4.726 -10.410   7.740
  149    H    GLU  20           H        GLU  20   2.238 -11.854   5.067
  150    HA   GLU  20           HA       GLU  20   0.493 -13.853   6.242
  151    HB2  GLU  20           HB2      GLU  20   0.144 -12.130   3.774
  152    HB3  GLU  20           HB1      GLU  20  -1.094 -13.110   4.541
  153    HG2  GLU  20           HG2      GLU  20   0.271 -10.873   5.992
  154    HG3  GLU  20           HG1      GLU  20  -1.122 -10.592   4.955
  155    H    HIS  21           H        HIS  21   1.839 -13.128   3.068
  156    HA   HIS  21           HA       HIS  21   2.454 -14.268   1.284
  157    HB2  HIS  21           HB2      HIS  21   4.193 -15.122   2.833
  158    HB3  HIS  21           HB1      HIS  21   3.159 -16.484   3.230
  159    HD1  HIS  21           HD1      HIS  21   3.857 -18.546   2.008
  160    HD2  HIS  21           HD2      HIS  21   4.639 -15.106  -0.179
  161    HE1  HIS  21           HE1      HIS  21   5.017 -19.313  -0.105
  162    H    GLY  22           H        GLY  22   0.651 -14.430   0.156
  163    HA2  GLY  22           HA2      GLY  22  -0.340 -16.853  -0.649
  164    HA3  GLY  22           HA1      GLY  22  -1.428 -16.285   0.622
  165    H    VAL  23           H        VAL  23  -2.063 -16.555  -2.195
  166    HA   VAL  23           HA       VAL  23  -1.836 -14.088  -3.544
  167    HB   VAL  23           HB       VAL  23  -3.936 -16.229  -3.990
  168   HG11  VAL  23          HG11      VAL  23  -4.118 -15.343  -6.260
  169   HG12  VAL  23          HG12      VAL  23  -2.996 -14.047  -5.848
  170   HG13  VAL  23          3HG1      VAL  23  -4.566 -14.141  -5.051
  171   HG21  VAL  23          HG21      VAL  23  -1.246 -15.871  -5.304
  172   HG22  VAL  23          HG22      VAL  23  -2.454 -17.074  -5.748
  173   HG23  VAL  23          HG23      VAL  23  -1.684 -17.141  -4.164
  174    H    GLU  24           H        GLU  24  -4.556 -15.465  -1.723
  175    HA   GLU  24           HA       GLU  24  -6.270 -13.270  -2.080
  176    HB2  GLU  24           HB2      GLU  24  -7.576 -14.153  -0.180
  177    HB3  GLU  24           HB1      GLU  24  -7.167 -15.423  -1.323
  178    HG2  GLU  24           HG2      GLU  24  -5.474 -16.256   0.166
  179    HG3  GLU  24           HG1      GLU  24  -5.709 -14.893   1.256
  180    H    ARG  25           H        ARG  25  -3.945 -14.038   0.378
  181    HA   ARG  25           HA       ARG  25  -4.500 -11.905   2.142
  182    HB2  ARG  25           HB2      ARG  25  -1.977 -13.503   1.721
  183    HB3  ARG  25           HB1      ARG  25  -2.223 -12.361   3.031
  184    HG2  ARG  25           HG2      ARG  25  -3.941 -14.800   2.576
  185    HG3  ARG  25           HG1      ARG  25  -2.553 -14.756   3.660
  186    HD2  ARG  25           HD2      ARG  25  -3.625 -12.991   4.967
  187    HD3  ARG  25           HD1      ARG  25  -5.013 -13.013   3.881
  188    HE   ARG  25           HE       ARG  25  -5.273 -15.390   4.617
  189   HH11  ARG  25          HH11      ARG  25  -3.704 -13.035   6.816
  190   HH12  ARG  25          HH12      ARG  25  -4.247 -13.843   8.212
  191   HH21  ARG  25          HH21      ARG  25  -6.021 -16.390   6.565
  192   HH22  ARG  25          HH22      ARG  25  -5.576 -15.752   8.089
  193    H    GLN  26           H        GLN  26  -2.157 -12.273  -0.489
  194    HA   GLN  26           HA       GLN  26  -0.877  -9.807  -0.197
  195    HB2  GLN  26           HB2      GLN  26   0.032 -11.644  -1.556
  196    HB3  GLN  26           HB1      GLN  26  -1.276 -11.438  -2.710
  197    HG2  GLN  26           HG2      GLN  26  -0.474  -9.167  -3.191
  198    HG3  GLN  26           HG1      GLN  26   0.856  -9.411  -2.065
  199   HE21  GLN  26          1HE2      GLN  26   2.485 -10.803  -2.624
  200   HE22  GLN  26          2HE2      GLN  26   2.792 -11.312  -4.238
  201    H    ARG  27           H        ARG  27  -3.518 -10.784  -2.365
  202    HA   ARG  27           HA       ARG  27  -3.774  -8.201  -3.495
  203    HB2  ARG  27           HB2      ARG  27  -5.716 -10.502  -3.517
  204    HB3  ARG  27           HB1      ARG  27  -5.910  -9.030  -4.456
  205    HG2  ARG  27           HG2      ARG  27  -3.761  -9.529  -5.590
  206    HG3  ARG  27           HG1      ARG  27  -3.705 -11.062  -4.716
  207    HD2  ARG  27           HD2      ARG  27  -4.613 -11.382  -6.948
  208    HD3  ARG  27           HD1      ARG  27  -5.843 -11.708  -5.725
  209    HE   ARG  27           HE       ARG  27  -5.858  -9.012  -6.694
  210   HH11  ARG  27          HH11      ARG  27  -7.054 -12.268  -7.361
  211   HH12  ARG  27          HH12      ARG  27  -8.402 -11.744  -8.260
  212   HH21  ARG  27          HH21      ARG  27  -7.721  -8.300  -7.950
  213   HH22  ARG  27          HH22      ARG  27  -8.768  -9.458  -8.626
  214    H    ARG  28           H        ARG  28  -5.289  -9.710  -0.746
  215    HA   ARG  28           HA       ARG  28  -7.362  -7.828  -0.380
  216    HB2  ARG  28           HB2      ARG  28  -7.162 -10.076   0.699
  217    HB3  ARG  28           HB1      ARG  28  -5.883  -9.426   1.701
  218    HG2  ARG  28           HG2      ARG  28  -7.421  -7.929   2.780
  219    HG3  ARG  28           HG1      ARG  28  -8.719  -8.421   1.684
  220    HD2  ARG  28           HD2      ARG  28  -7.268 -10.186   3.653
  221    HD3  ARG  28           HD1      ARG  28  -8.934  -9.616   3.791
  222    HE   ARG  28           HE       ARG  28  -9.081 -10.839   1.485
  223   HH11  ARG  28          HH11      ARG  28  -7.534 -11.977   4.475
  224   HH12  ARG  28          HH12      ARG  28  -7.697 -13.627   4.096
  225   HH21  ARG  28          HH21      ARG  28  -9.268 -13.104   0.960
  226   HH22  ARG  28          HH22      ARG  28  -8.637 -14.287   2.027
  227    H    CYS  29           H        CYS  29  -4.120  -8.113   1.075
  228    HA   CYS  29           HA       CYS  29  -4.234  -5.681   2.447
  229    HB2  CYS  29           HB2      CYS  29  -1.892  -7.299   1.483
  230    HB3  CYS  29           HB1      CYS  29  -1.766  -5.902   2.543
  231    H    GLN  30           H        GLN  30  -2.957  -6.571  -0.759
  232    HA   GLN  30           HA       GLN  30  -1.787  -4.147  -1.436
  233    HB2  GLN  30           HB2      GLN  30  -1.521  -6.231  -2.742
  234    HB3  GLN  30           HB1      GLN  30  -3.188  -6.088  -3.281
  235    HG2  GLN  30           HG2      GLN  30  -2.641  -3.983  -4.401
  236    HG3  GLN  30           HG1      GLN  30  -0.968  -4.148  -3.878
  237   HE21  GLN  30          1HE2      GLN  30  -2.105  -3.992  -6.542
  238   HE22  GLN  30          2HE2      GLN  30  -1.567  -5.399  -7.371
  239    H    GLN  31           H        GLN  31  -5.117  -5.204  -1.689
  240    HA   GLN  31           HA       GLN  31  -6.156  -3.036  -3.106
  241    HB2  GLN  31           HB2      GLN  31  -7.353  -5.138  -2.712
  242    HB3  GLN  31           HB1      GLN  31  -7.446  -4.769  -1.003
  243    HG2  GLN  31           HG2      GLN  31  -8.888  -2.889  -1.449
  244    HG3  GLN  31           HG1      GLN  31  -8.724  -3.154  -3.186
  245   HE21  GLN  31          1HE2      GLN  31 -10.900  -3.444  -3.424
  246   HE22  GLN  31          2HE2      GLN  31 -11.715  -4.874  -2.895
  247    H    VAL  32           H        VAL  32  -5.732  -3.574   0.349
  248    HA   VAL  32           HA       VAL  32  -6.751  -1.058   1.161
  249    HB   VAL  32           HB       VAL  32  -4.761  -2.841   2.604
  250   HG11  VAL  32          HG11      VAL  32  -6.514  -0.629   3.681
  251   HG12  VAL  32          HG12      VAL  32  -4.760  -0.573   3.515
  252   HG13  VAL  32          3HG1      VAL  32  -5.504  -1.699   4.652
  253   HG21  VAL  32          HG21      VAL  32  -6.712  -3.654   3.850
  254   HG22  VAL  32          HG22      VAL  32  -6.821  -4.022   2.128
  255   HG23  VAL  32          HG23      VAL  32  -7.764  -2.695   2.808
  256    H    CYS  33           H        CYS  33  -3.468  -2.217   0.460
  257    HA   CYS  33           HA       CYS  33  -1.984   0.074   1.075
  258    HB2  CYS  33           HB2      CYS  33  -1.454  -1.752  -1.279
  259    HB3  CYS  33           HB1      CYS  33  -0.279  -0.768  -0.421
  260    H    GLU  34           H        GLU  34  -3.589  -0.868  -1.925
  261    HA   GLU  34           HA       GLU  34  -2.909   1.252  -3.574
  262    HB2  GLU  34           HB2      GLU  34  -3.942  -0.851  -4.301
  263    HB3  GLU  34           HB1      GLU  34  -5.413  -0.434  -3.448
  264    HG2  GLU  34           HG2      GLU  34  -5.720  -0.082  -5.795
  265    HG3  GLU  34           HG1      GLU  34  -5.709   1.470  -4.967
  266    H    LYS  35           H        LYS  35  -5.706   0.798  -1.423
  267    HA   LYS  35           HA       LYS  35  -6.967   3.255  -1.968
  268    HB2  LYS  35           HB2      LYS  35  -8.047   1.342  -0.768
  269    HB3  LYS  35           HB1      LYS  35  -7.051   1.721   0.633
  270    HG2  LYS  35           HG2      LYS  35  -8.078   4.025   0.604
  271    HG3  LYS  35           HG1      LYS  35  -9.210   3.419  -0.599
  272    HD2  LYS  35           HD2      LYS  35 -10.229   3.331   1.598
  273    HD3  LYS  35           HD1      LYS  35  -9.936   1.687   1.022
  274    HE2  LYS  35           HE2      LYS  35  -8.016   1.456   2.416
  275    HE3  LYS  35           HE1      LYS  35  -8.037   3.173   2.816
  276    HZ1  LYS  35           HZ1      LYS  35 -10.114   1.195   3.602
  277    HZ2  LYS  35           HZ2      LYS  35 -10.077   2.824   4.034
  278    HZ3  LYS  35           HZ3      LYS  35  -8.889   1.785   4.598
  279    H    ARG  36           H        ARG  36  -4.762   2.312   0.648
  280    HA   ARG  36           HA       ARG  36  -4.572   4.714   2.051
  281    HB2  ARG  36           HB2      ARG  36  -2.682   2.455   1.614
  282    HB3  ARG  36           HB1      ARG  36  -2.192   3.830   2.592
  283    HG2  ARG  36           HG2      ARG  36  -4.701   2.325   3.204
  284    HG3  ARG  36           HG1      ARG  36  -3.136   1.665   3.679
  285    HD2  ARG  36           HD2      ARG  36  -4.106   2.930   5.506
  286    HD3  ARG  36           HD1      ARG  36  -2.652   3.722   4.914
  287    HE   ARG  36           HE       ARG  36  -5.153   4.646   3.815
  288   HH11  ARG  36          HH11      ARG  36  -2.510   5.234   6.143
  289   HH12  ARG  36          HH12      ARG  36  -3.076   6.766   6.618
  290   HH21  ARG  36          HH21      ARG  36  -5.948   6.776   4.547
  291   HH22  ARG  36          HH22      ARG  36  -5.020   7.681   5.655
  292    H    LEU  37           H        LEU  37  -2.766   3.631  -0.775
  293    HA   LEU  37           HA       LEU  37  -1.012   5.853  -0.793
  294    HB2  LEU  37           HB2      LEU  37  -0.692   3.552  -1.877
  295    HB3  LEU  37           HB1      LEU  37  -1.731   4.119  -3.156
  296    HG   LEU  37           HG       LEU  37   0.710   4.177  -3.693
  297   HD11  LEU  37          HD11      LEU  37  -0.603   6.880  -3.717
  298   HD12  LEU  37          HD12      LEU  37  -0.823   5.601  -4.911
  299   HD13  LEU  37          HD13      LEU  37   0.757   6.365  -4.724
  300   HD21  LEU  37          HD21      LEU  37   0.806   6.386  -1.646
  301   HD22  LEU  37          HD22      LEU  37   2.120   5.902  -2.713
  302   HD23  LEU  37          HD23      LEU  37   1.537   4.794  -1.479
  303    H    ARG  38           H        ARG  38  -4.071   5.113  -2.372
  304    HA   ARG  38           HA       ARG  38  -4.168   7.501  -3.899
  305    HB2  ARG  38           HB2      ARG  38  -6.406   5.719  -2.953
  306    HB3  ARG  38           HB1      ARG  38  -6.602   7.051  -4.082
  307    HG2  ARG  38           HG2      ARG  38  -4.976   4.548  -4.520
  308    HG3  ARG  38           HG1      ARG  38  -6.519   4.953  -5.273
  309    HD2  ARG  38           HD2      ARG  38  -3.894   6.398  -5.642
  310    HD3  ARG  38           HD1      ARG  38  -4.712   5.375  -6.817
  311    HE   ARG  38           HE       ARG  38  -6.508   7.334  -6.141
  312   HH11  ARG  38          HH11      ARG  38  -3.310   7.205  -7.662
  313   HH12  ARG  38          HH12      ARG  38  -3.533   8.620  -8.581
  314   HH21  ARG  38          HH21      ARG  38  -6.779   9.313  -7.373
  315   HH22  ARG  38          HH22      ARG  38  -5.520   9.841  -8.401
  316    H    GLU  39           H        GLU  39  -5.129   6.694  -0.656
  317    HA   GLU  39           HA       GLU  39  -6.439   9.109  -0.054
  318    HB2  GLU  39           HB2      GLU  39  -4.871   7.268   1.753
  319    HB3  GLU  39           HB1      GLU  39  -5.893   8.581   2.316
  320    HG2  GLU  39           HG2      GLU  39  -7.844   7.485   1.345
  321    HG3  GLU  39           HG1      GLU  39  -6.815   6.175   0.761
  322    H    ARG  40           H        ARG  40  -3.065   8.175  -0.068
  323    HA   ARG  40           HA       ARG  40  -2.052  10.601   1.040
  324    HB2  ARG  40           HB2      ARG  40  -0.662   8.684  -0.848
  325    HB3  ARG  40           HB1      ARG  40   0.123   9.944   0.080
  326    HG2  ARG  40           HG2      ARG  40  -1.246   7.502   1.185
  327    HG3  ARG  40           HG1      ARG  40   0.489   7.767   1.073
  328    HD2  ARG  40           HD2      ARG  40   0.197   9.748   2.579
  329    HD3  ARG  40           HD1      ARG  40  -1.488   9.265   2.788
  330    HE   ARG  40           HE       ARG  40   0.183   7.082   3.302
  331   HH11  ARG  40          HH11      ARG  40  -0.966  10.060   4.861
  332   HH12  ARG  40          HH12      ARG  40  -0.470   9.572   6.412
  333   HH21  ARG  40          HH21      ARG  40   0.920   6.481   5.425
  334   HH22  ARG  40          HH22      ARG  40   0.599   7.508   6.749
  335    H    GLU  41           H        GLU  41  -2.966   9.577  -2.141
  336    HA   GLU  41           HA       GLU  41  -1.915  11.774  -3.605
  337    HB2  GLU  41           HB2      GLU  41  -4.174   9.865  -4.186
  338    HB3  GLU  41           HB1      GLU  41  -3.611  11.077  -5.327
  339    HG2  GLU  41           HG2      GLU  41  -1.914   8.885  -4.171
  340    HG3  GLU  41           HG1      GLU  41  -2.694   8.841  -5.757
  341    H    GLY  42           H        GLY  42  -5.014  11.130  -2.104
  342    HA2  GLY  42           HA2      GLY  42  -6.174  13.571  -3.032
  343    HA3  GLY  42           HA1      GLY  42  -6.882  12.454  -1.881
  344    H    ARG  43           H        ARG  43  -5.171  12.440   0.208
  345    HA   ARG  43           HA       ARG  43  -5.866  14.884   1.461
  346    HB2  ARG  43           HB2      ARG  43  -3.939  12.790   2.506
  347    HB3  ARG  43           HB1      ARG  43  -4.716  14.049   3.450
  348    HG2  ARG  43           HG2      ARG  43  -6.912  12.999   2.964
  349    HG3  ARG  43           HG1      ARG  43  -6.067  11.701   2.120
  350    HD2  ARG  43           HD2      ARG  43  -4.781  11.325   4.285
  351    HD3  ARG  43           HD1      ARG  43  -5.945  12.402   5.052
  352    HE   ARG  43           HE       ARG  43  -7.024  10.139   3.581
  353   HH11  ARG  43          HH11      ARG  43  -6.480  11.597   6.778
  354   HH12  ARG  43          HH12      ARG  43  -7.127  10.286   7.639
  355   HH21  ARG  43          HH21      ARG  43  -7.887   8.272   4.820
  356   HH22  ARG  43          HH22      ARG  43  -7.962   8.384   6.506
  357    H    ARG  44           H        ARG  44  -2.859  13.701   0.075
  358    HA   ARG  44           HA       ARG  44  -1.563  16.162   0.950
  359    HB2  ARG  44           HB2      ARG  44  -0.359  13.668  -0.251
  360    HB3  ARG  44           HB1      ARG  44   0.542  15.090   0.248
  361    HG2  ARG  44           HG2      ARG  44  -0.138  14.732   2.545
  362    HG3  ARG  44           HG1      ARG  44  -1.077  13.318   2.060
  363    HD2  ARG  44           HD2      ARG  44   0.958  12.241   1.254
  364    HD3  ARG  44           HD1      ARG  44   1.901  13.652   1.728
  365    HE   ARG  44           HE       ARG  44   0.545  12.828   3.971
  366   HH11  ARG  44          HH11      ARG  44   2.996  11.522   1.813
  367   HH12  ARG  44          HH12      ARG  44   3.724  10.487   2.942
  368   HH21  ARG  44          HH21      ARG  44   1.529  11.419   5.607
  369   HH22  ARG  44          HH22      ARG  44   2.839  10.423   5.187
  370    H    GLU  45           H        GLU  45  -1.885  17.729  -0.403
  371    HA   GLU  45           HA       GLU  45  -2.049  17.275  -3.250
  372    HB2  GLU  45           HB2      GLU  45  -2.087  19.841  -1.640
  373    HB3  GLU  45           HB1      GLU  45  -2.438  19.719  -3.353
  374    HG2  GLU  45           HG2      GLU  45  -4.396  18.355  -2.874
  375    HG3  GLU  45           HG1      GLU  45  -4.034  18.432  -1.151
  376    H    VAL  46           H        VAL  46  -0.112  16.753  -4.072
  377    HA   VAL  46           HA       VAL  46   2.131  18.492  -3.353
  378    HB   VAL  46           HB       VAL  46   2.436  15.556  -4.040
  379   HG11  VAL  46          HG11      VAL  46   4.400  16.871  -4.572
  380   HG12  VAL  46          HG12      VAL  46   4.731  15.825  -3.191
  381   HG13  VAL  46          3HG1      VAL  46   4.423  17.541  -2.941
  382   HG21  VAL  46          HG21      VAL  46   2.949  15.168  -1.660
  383   HG22  VAL  46          HG22      VAL  46   1.295  15.734  -1.896
  384   HG23  VAL  46          HG23      VAL  46   2.531  16.845  -1.309
  385    H    ASP  47           H        ASP  47   1.169  19.625  -5.175
  386    HA   ASP  47           HA       ASP  47   2.671  18.948  -7.548
  387    HB2  ASP  47           HB2      ASP  47  -0.306  19.453  -7.533
  388    HB3  ASP  47           HB1      ASP  47   0.668  19.875  -8.930
  Start of MODEL   20
    1    H2   PRO   1           HT1      PRO   1  14.727   8.025   1.169
    2    H3   PRO   1           HT2      PRO   1  16.172   7.442   0.717
    3    HA   PRO   1           HA       PRO   1  15.868   5.605   1.657
    4    HB2  PRO   1           HB2      PRO   1  14.302   6.005   3.946
    5    HB3  PRO   1           HB1      PRO   1  16.040   5.705   3.897
    6    HG2  PRO   1           HG2      PRO   1  14.592   8.286   4.130
    7    HG3  PRO   1           HG1      PRO   1  16.191   7.835   4.748
    8    HD2  PRO   1           HD2      PRO   1  15.895   9.445   2.607
    9    HD3  PRO   1           HD1      PRO   1  17.236   8.291   2.726
   10    H    ARG   2           H        ARG   2  13.810   4.265   2.339
   11    HA   ARG   2           HA       ARG   2  11.797   5.123   0.464
   12    HB2  ARG   2           HB2      ARG   2  12.150   2.505   1.905
   13    HB3  ARG   2           HB1      ARG   2  10.905   2.854   0.714
   14    HG2  ARG   2           HG2      ARG   2  12.597   3.228  -0.973
   15    HG3  ARG   2           HG1      ARG   2  13.863   2.872   0.208
   16    HD2  ARG   2           HD2      ARG   2  13.377   0.931  -1.166
   17    HD3  ARG   2           HD1      ARG   2  12.929   0.655   0.518
   18    HE   ARG   2           HE       ARG   2  10.803   1.637  -1.153
   19   HH11  ARG   2          HH11      ARG   2  12.328  -1.209   0.304
   20   HH12  ARG   2          HH12      ARG   2  11.064  -2.267  -0.114
   21   HH21  ARG   2          HH21      ARG   2   9.061   0.178  -1.715
   22   HH22  ARG   2          HH22      ARG   2   9.180  -1.477  -1.290
   23    H    GLY   3           H        GLY   3  10.700   6.594   1.409
   24    HA2  GLY   3           HA2      GLY   3   8.782   5.731   3.467
   25    HA3  GLY   3           HA1      GLY   3   9.709   7.199   3.790
   26    H    SER   4           H        SER   4   9.139   6.624   0.568
   27    HA   SER   4           HA       SER   4   7.453   8.934   0.374
   28    HB2  SER   4           HB2      SER   4   8.611   7.168  -1.789
   29    HB3  SER   4           HB1      SER   4   8.044   8.836  -1.942
   30    HG   SER   4           HG       SER   4   9.712   9.501  -0.632
   31    HA   PRO   5           HA       PRO   5   3.538   7.019   0.231
   32    HB2  PRO   5           HB2      PRO   5   2.555   8.056  -2.196
   33    HB3  PRO   5           HB1      PRO   5   2.383   8.769  -0.590
   34    HG2  PRO   5           HG2      PRO   5   4.371   9.365  -2.732
   35    HG3  PRO   5           HG1      PRO   5   3.607  10.466  -1.573
   36    HD2  PRO   5           HD2      PRO   5   6.129   9.697  -1.261
   37    HD3  PRO   5           HD1      PRO   5   5.059   9.848   0.145
   38    H    ARG   6           H        ARG   6   4.950   6.902  -3.059
   39    HA   ARG   6           HA       ARG   6   3.221   4.716  -3.756
   40    HB2  ARG   6           HB2      ARG   6   5.585   5.767  -5.339
   41    HB3  ARG   6           HB1      ARG   6   4.285   4.753  -5.934
   42    HG2  ARG   6           HG2      ARG   6   3.963   7.580  -4.933
   43    HG3  ARG   6           HG1      ARG   6   3.986   7.079  -6.624
   44    HD2  ARG   6           HD2      ARG   6   1.950   5.853  -6.358
   45    HD3  ARG   6           HD1      ARG   6   1.994   6.042  -4.611
   46    HE   ARG   6           HE       ARG   6   1.955   8.561  -5.758
   47   HH11  ARG   6          HH11      ARG   6  -0.177   5.743  -5.808
   48   HH12  ARG   6          HH12      ARG   6  -1.613   6.620  -5.583
   49   HH21  ARG   6          HH21      ARG   6  -0.068   9.810  -5.414
   50   HH22  ARG   6          HH22      ARG   6  -1.535   8.961  -5.260
   51    H    THR   7           H        THR   7   6.537   5.006  -2.724
   52    HA   THR   7           HA       THR   7   7.053   2.266  -3.348
   53    HB   THR   7           HB       THR   7   8.904   3.965  -3.331
   54    HG1  THR   7           HG1      THR   7   9.850   2.108  -3.217
   55   HG21  THR   7          HG21      THR   7   9.938   4.624  -1.214
   56   HG22  THR   7          HG22      THR   7   8.677   3.769  -0.328
   57   HG23  THR   7          HG23      THR   7   8.265   5.187  -1.286
   58    H    GLU   8           H        GLU   8   5.956   4.010  -0.517
   59    HA   GLU   8           HA       GLU   8   6.147   1.966   1.430
   60    HB2  GLU   8           HB2      GLU   8   5.686   4.333   1.969
   61    HB3  GLU   8           HB1      GLU   8   4.166   4.212   1.093
   62    HG2  GLU   8           HG2      GLU   8   3.818   4.167   3.515
   63    HG3  GLU   8           HG1      GLU   8   3.283   2.679   2.743
   64    H    TYR   9           H        TYR   9   3.625   2.978  -0.774
   65    HA   TYR   9           HA       TYR   9   1.630   1.202  -0.124
   66    HB2  TYR   9           HB2      TYR   9   0.867   2.893  -1.407
   67    HB3  TYR   9           HB1      TYR   9   2.345   3.014  -2.343
   68    HD1  TYR   9           HD1      TYR   9  -0.907   1.381  -2.052
   69    HD2  TYR   9           HD2      TYR   9   2.597   1.857  -4.320
   70    HE1  TYR   9           HE1      TYR   9  -2.032   0.281  -3.968
   71    HE2  TYR   9           HE2      TYR   9   1.535   0.763  -6.273
   72    HH   TYR   9           HH       TYR   9  -0.247  -0.742  -6.730
   73    H    GLU  10           H        GLU  10   4.328   0.831  -2.369
   74    HA   GLU  10           HA       GLU  10   3.443  -1.694  -3.372
   75    HB2  GLU  10           HB2      GLU  10   4.975  -0.064  -4.563
   76    HB3  GLU  10           HB1      GLU  10   6.245  -0.565  -3.454
   77    HG2  GLU  10           HG2      GLU  10   6.500  -1.750  -5.511
   78    HG3  GLU  10           HG1      GLU  10   5.972  -2.886  -4.266
   79    H    ALA  11           H        ALA  11   5.808  -0.623  -0.967
   80    HA   ALA  11           HA       ALA  11   6.860  -3.142  -0.284
   81    HB1  ALA  11           HB1      ALA  11   7.707  -2.046   1.715
   82    HB2  ALA  11           HB2      ALA  11   6.644  -0.668   1.418
   83    HB3  ALA  11           HB3      ALA  11   7.952  -1.032   0.293
   84    H    CYS  12           H        CYS  12   4.035  -1.432   0.721
   85    HA   CYS  12           HA       CYS  12   3.322  -2.829   3.024
   86    HB2  CYS  12           HB2      CYS  12   2.278  -0.713   2.037
   87    HB3  CYS  12           HB1      CYS  12   1.397  -1.761   0.940
   88    H    ARG  13           H        ARG  13   2.968  -3.617  -0.374
   89    HA   ARG  13           HA       ARG  13   1.252  -5.884   0.013
   90    HB2  ARG  13           HB2      ARG  13   2.968  -5.093  -2.332
   91    HB3  ARG  13           HB1      ARG  13   1.715  -6.326  -2.354
   92    HG2  ARG  13           HG2      ARG  13   0.017  -4.668  -1.966
   93    HG3  ARG  13           HG1      ARG  13   1.244  -3.411  -1.783
   94    HD2  ARG  13           HD2      ARG  13   0.260  -3.333  -3.999
   95    HD3  ARG  13           HD1      ARG  13   1.961  -3.782  -4.083
   96    HE   ARG  13           HE       ARG  13   0.078  -5.980  -4.031
   97   HH11  ARG  13          HH11      ARG  13   2.290  -4.011  -5.957
   98   HH12  ARG  13          HH12      ARG  13   2.070  -4.893  -7.390
   99   HH21  ARG  13          HH21      ARG  13  -0.210  -7.223  -5.981
  100   HH22  ARG  13          HH22      ARG  13   0.637  -6.782  -7.390
  101    H    VAL  14           H        VAL  14   4.679  -5.317  -0.543
  102    HA   VAL  14           HA       VAL  14   5.541  -8.005  -0.674
  103    HB   VAL  14           HB       VAL  14   7.096  -5.580   0.308
  104   HG11  VAL  14          HG11      VAL  14   8.106  -8.221  -0.752
  105   HG12  VAL  14          HG12      VAL  14   8.207  -7.665   0.918
  106   HG13  VAL  14          3HG1      VAL  14   9.109  -6.827  -0.346
  107   HG21  VAL  14          HG21      VAL  14   7.946  -5.442  -2.002
  108   HG22  VAL  14          HG22      VAL  14   6.200  -5.210  -1.920
  109   HG23  VAL  14          HG23      VAL  14   6.859  -6.752  -2.463
  110    H    ARG  15           H        ARG  15   5.158  -5.773   1.974
  111    HA   ARG  15           HA       ARG  15   6.090  -7.221   4.146
  112    HB2  ARG  15           HB2      ARG  15   5.328  -4.865   4.150
  113    HB3  ARG  15           HB1      ARG  15   3.677  -5.419   3.974
  114    HG2  ARG  15           HG2      ARG  15   3.835  -6.513   6.172
  115    HG3  ARG  15           HG1      ARG  15   5.478  -5.879   6.343
  116    HD2  ARG  15           HD2      ARG  15   2.956  -4.262   6.010
  117    HD3  ARG  15           HD1      ARG  15   3.906  -4.424   7.488
  118    HE   ARG  15           HE       ARG  15   5.758  -3.389   6.092
  119   HH11  ARG  15          HH11      ARG  15   2.336  -2.535   5.708
  120   HH12  ARG  15          HH12      ARG  15   2.651  -1.006   5.051
  121   HH21  ARG  15          HH21      ARG  15   6.177  -1.343   5.149
  122   HH22  ARG  15          HH22      ARG  15   4.914  -0.280   4.711
  123    H    CYS  16           H        CYS  16   2.859  -7.177   2.670
  124    HA   CYS  16           HA       CYS  16   1.799  -9.148   4.362
  125    HB2  CYS  16           HB2      CYS  16   0.895  -8.112   1.700
  126    HB3  CYS  16           HB1      CYS  16  -0.025  -9.267   2.660
  127    H    GLN  17           H        GLN  17   3.675  -9.423   1.442
  128    HA   GLN  17           HA       GLN  17   2.986 -12.068   0.747
  129    HB2  GLN  17           HB2      GLN  17   5.608 -10.598   0.412
  130    HB3  GLN  17           HB1      GLN  17   5.249 -12.149  -0.324
  131    HG2  GLN  17           HG2      GLN  17   3.519 -11.178  -1.651
  132    HG3  GLN  17           HG1      GLN  17   3.697  -9.623  -0.832
  133   HE21  GLN  17          1HE2      GLN  17   3.951 -10.267  -3.676
  134   HE22  GLN  17          2HE2      GLN  17   5.539  -9.779  -4.115
  135    H    VAL  18           H        VAL  18   5.396 -10.746   2.943
  136    HA   VAL  18           HA       VAL  18   6.154 -13.428   3.715
  137    HB   VAL  18           HB       VAL  18   7.944 -11.783   3.436
  138   HG11  VAL  18          HG11      VAL  18   6.840  -9.755   4.097
  139   HG12  VAL  18          HG12      VAL  18   8.317  -9.971   5.038
  140   HG13  VAL  18          3HG1      VAL  18   6.749 -10.315   5.767
  141   HG21  VAL  18          HG21      VAL  18   9.183 -12.186   5.528
  142   HG22  VAL  18          HG22      VAL  18   8.368 -13.636   4.943
  143   HG23  VAL  18          HG23      VAL  18   7.687 -12.725   6.291
  144    H    ALA  19           H        ALA  19   4.331 -10.769   5.156
  145    HA   ALA  19           HA       ALA  19   4.208 -12.098   7.713
  146    HB1  ALA  19           HB1      ALA  19   2.873 -10.218   8.455
  147    HB2  ALA  19           HB2      ALA  19   2.706  -9.656   6.790
  148    HB3  ALA  19           HB3      ALA  19   4.287  -9.647   7.568
  149    H    GLU  20           H        GLU  20   1.653 -11.140   5.393
  150    HA   GLU  20           HA       GLU  20  -0.422 -12.620   6.662
  151    HB2  GLU  20           HB2      GLU  20  -0.166 -11.644   3.806
  152    HB3  GLU  20           HB1      GLU  20  -1.627 -12.325   4.494
  153    HG2  GLU  20           HG2      GLU  20  -0.309  -9.882   5.617
  154    HG3  GLU  20           HG1      GLU  20  -1.473  -9.805   4.299
  155    H    HIS  21           H        HIS  21   1.585 -13.152   3.852
  156    HA   HIS  21           HA       HIS  21   2.155 -14.874   2.582
  157    HB2  HIS  21           HB2      HIS  21   3.006 -15.823   4.749
  158    HB3  HIS  21           HB1      HIS  21   1.471 -16.663   4.940
  159    HD1  HIS  21           HD1      HIS  21   1.510 -19.049   4.060
  160    HD2  HIS  21           HD2      HIS  21   4.322 -16.614   2.211
  161    HE1  HIS  21           HE1      HIS  21   2.850 -20.545   2.554
  162    H    GLY  22           H        GLY  22   0.822 -14.902   0.977
  163    HA2  GLY  22           HA2      GLY  22  -0.852 -16.821   0.298
  164    HA3  GLY  22           HA1      GLY  22  -1.900 -15.772   1.257
  165    H    VAL  23           H        VAL  23  -1.517 -16.405  -1.720
  166    HA   VAL  23           HA       VAL  23  -0.572 -14.058  -2.959
  167    HB   VAL  23           HB       VAL  23  -2.536 -16.064  -4.086
  168   HG11  VAL  23          HG11      VAL  23  -2.415 -14.029  -5.403
  169   HG12  VAL  23          HG12      VAL  23  -1.637 -15.360  -6.264
  170   HG13  VAL  23          3HG1      VAL  23  -0.657 -14.140  -5.452
  171   HG21  VAL  23          HG21      VAL  23  -0.575 -17.193  -5.027
  172   HG22  VAL  23          HG22      VAL  23  -0.536 -17.181  -3.264
  173   HG23  VAL  23          HG23      VAL  23   0.477 -16.063  -4.176
  174    H    GLU  24           H        GLU  24  -3.874 -15.169  -2.296
  175    HA   GLU  24           HA       GLU  24  -5.059 -12.785  -3.285
  176    HB2  GLU  24           HB2      GLU  24  -6.268 -14.845  -1.422
  177    HB3  GLU  24           HB1      GLU  24  -7.158 -13.559  -2.211
  178    HG2  GLU  24           HG2      GLU  24  -7.610 -15.515  -3.440
  179    HG3  GLU  24           HG1      GLU  24  -6.458 -14.604  -4.408
  180    H    ARG  25           H        ARG  25  -3.689 -13.707  -0.324
  181    HA   ARG  25           HA       ARG  25  -4.918 -11.659   1.267
  182    HB2  ARG  25           HB2      ARG  25  -2.435 -13.304   1.796
  183    HB3  ARG  25           HB1      ARG  25  -3.200 -12.233   2.966
  184    HG2  ARG  25           HG2      ARG  25  -5.224 -13.572   2.904
  185    HG3  ARG  25           HG1      ARG  25  -4.500 -14.625   1.690
  186    HD2  ARG  25           HD2      ARG  25  -2.779 -15.289   3.291
  187    HD3  ARG  25           HD1      ARG  25  -3.483 -14.212   4.497
  188    HE   ARG  25           HE       ARG  25  -5.560 -15.752   3.837
  189   HH11  ARG  25          HH11      ARG  25  -2.229 -16.677   4.690
  190   HH12  ARG  25          HH12      ARG  25  -2.704 -18.100   5.494
  191   HH21  ARG  25          HH21      ARG  25  -6.166 -17.741   4.902
  192   HH22  ARG  25          HH22      ARG  25  -4.968 -18.722   5.609
  193    H    GLN  26           H        GLN  26  -1.935 -11.990  -0.528
  194    HA   GLN  26           HA       GLN  26  -0.863  -9.455   0.114
  195    HB2  GLN  26           HB2      GLN  26   0.513 -11.245  -0.852
  196    HB3  GLN  26           HB1      GLN  26  -0.465 -11.254  -2.298
  197    HG2  GLN  26           HG2      GLN  26   1.107  -8.808  -1.526
  198    HG3  GLN  26           HG1      GLN  26   1.885 -10.159  -2.331
  199   HE21  GLN  26          1HE2      GLN  26   1.282 -10.655  -4.451
  200   HE22  GLN  26          2HE2      GLN  26   0.494  -9.517  -5.465
  201    H    ARG  27           H        ARG  27  -2.975 -10.634  -2.430
  202    HA   ARG  27           HA       ARG  27  -3.263  -8.158  -3.763
  203    HB2  ARG  27           HB2      ARG  27  -5.114 -10.539  -3.700
  204    HB3  ARG  27           HB1      ARG  27  -5.252  -9.201  -4.831
  205    HG2  ARG  27           HG2      ARG  27  -2.978  -9.745  -5.668
  206    HG3  ARG  27           HG1      ARG  27  -2.966 -11.144  -4.603
  207    HD2  ARG  27           HD2      ARG  27  -3.575 -11.804  -6.844
  208    HD3  ARG  27           HD1      ARG  27  -4.942 -12.023  -5.755
  209    HE   ARG  27           HE       ARG  27  -5.381  -9.566  -6.750
  210   HH11  ARG  27          HH11      ARG  27  -4.621 -12.624  -8.403
  211   HH12  ARG  27          HH12      ARG  27  -5.585 -12.281  -9.751
  212   HH21  ARG  27          HH21      ARG  27  -6.666  -9.105  -8.621
  213   HH22  ARG  27          HH22      ARG  27  -6.731 -10.212  -9.905
  214    H    ARG  28           H        ARG  28  -4.969  -9.649  -1.106
  215    HA   ARG  28           HA       ARG  28  -6.983  -7.755  -0.742
  216    HB2  ARG  28           HB2      ARG  28  -6.934  -9.868   0.503
  217    HB3  ARG  28           HB1      ARG  28  -5.461  -9.377   1.317
  218    HG2  ARG  28           HG2      ARG  28  -6.610  -7.688   2.539
  219    HG3  ARG  28           HG1      ARG  28  -8.087  -7.919   1.614
  220    HD2  ARG  28           HD2      ARG  28  -8.334  -9.013   3.735
  221    HD3  ARG  28           HD1      ARG  28  -8.192 -10.248   2.488
  222    HE   ARG  28           HE       ARG  28  -5.751  -9.504   3.841
  223   HH11  ARG  28          HH11      ARG  28  -8.398 -11.843   3.582
  224   HH12  ARG  28          HH12      ARG  28  -7.694 -12.998   4.593
  225   HH21  ARG  28          HH21      ARG  28  -4.769 -11.104   5.318
  226   HH22  ARG  28          HH22      ARG  28  -5.615 -12.534   5.670
  227    H    CYS  29           H        CYS  29  -3.640  -7.865   0.480
  228    HA   CYS  29           HA       CYS  29  -3.750  -5.378   1.736
  229    HB2  CYS  29           HB2      CYS  29  -1.458  -7.012   0.719
  230    HB3  CYS  29           HB1      CYS  29  -1.245  -5.463   1.528
  231    H    GLN  30           H        GLN  30  -3.080  -6.286  -1.595
  232    HA   GLN  30           HA       GLN  30  -2.099  -3.795  -2.419
  233    HB2  GLN  30           HB2      GLN  30  -2.181  -5.918  -3.849
  234    HB3  GLN  30           HB1      GLN  30  -3.890  -5.610  -4.090
  235    HG2  GLN  30           HG2      GLN  30  -1.715  -3.680  -4.928
  236    HG3  GLN  30           HG1      GLN  30  -2.365  -4.922  -5.983
  237   HE21  GLN  30          1HE2      GLN  30  -2.366  -1.945  -6.179
  238   HE22  GLN  30          2HE2      GLN  30  -4.015  -1.504  -6.326
  239    H    GLN  31           H        GLN  31  -5.405  -5.047  -2.330
  240    HA   GLN  31           HA       GLN  31  -6.791  -2.740  -3.061
  241    HB2  GLN  31           HB2      GLN  31  -7.847  -4.949  -2.828
  242    HB3  GLN  31           HB1      GLN  31  -7.607  -4.879  -1.090
  243    HG2  GLN  31           HG2      GLN  31  -9.070  -2.845  -1.050
  244    HG3  GLN  31           HG1      GLN  31  -9.405  -3.136  -2.753
  245   HE21  GLN  31          1HE2      GLN  31  -9.035  -5.698  -0.401
  246   HE22  GLN  31          2HE2      GLN  31 -10.675  -6.201  -0.405
  247    H    VAL  32           H        VAL  32  -6.018  -3.913   0.200
  248    HA   VAL  32           HA       VAL  32  -7.126  -1.757   1.605
  249    HB   VAL  32           HB       VAL  32  -5.004  -3.736   2.495
  250   HG11  VAL  32          HG11      VAL  32  -4.889  -1.731   3.891
  251   HG12  VAL  32          HG12      VAL  32  -5.575  -3.084   4.796
  252   HG13  VAL  32          3HG1      VAL  32  -6.628  -1.819   4.163
  253   HG21  VAL  32          HG21      VAL  32  -6.872  -4.815   3.666
  254   HG22  VAL  32          HG22      VAL  32  -7.150  -4.748   1.925
  255   HG23  VAL  32          HG23      VAL  32  -7.980  -3.618   2.994
  256    H    CYS  33           H        CYS  33  -3.675  -2.328   0.791
  257    HA   CYS  33           HA       CYS  33  -2.834   0.056   2.052
  258    HB2  CYS  33           HB2      CYS  33  -1.382  -1.533  -0.087
  259    HB3  CYS  33           HB1      CYS  33  -0.655  -0.363   1.014
  260    H    GLU  34           H        GLU  34  -4.024  -0.673  -1.147
  261    HA   GLU  34           HA       GLU  34  -3.239   1.722  -2.417
  262    HB2  GLU  34           HB2      GLU  34  -4.088  -0.330  -3.570
  263    HB3  GLU  34           HB1      GLU  34  -5.674   0.008  -2.916
  264    HG2  GLU  34           HG2      GLU  34  -5.731   2.104  -4.177
  265    HG3  GLU  34           HG1      GLU  34  -4.150   1.714  -4.860
  266    H    LYS  35           H        LYS  35  -6.107   0.728  -0.589
  267    HA   LYS  35           HA       LYS  35  -7.525   3.166  -0.847
  268    HB2  LYS  35           HB2      LYS  35  -7.715   1.049   1.295
  269    HB3  LYS  35           HB1      LYS  35  -8.833   2.392   1.107
  270    HG2  LYS  35           HG2      LYS  35  -9.432   1.518  -1.135
  271    HG3  LYS  35           HG1      LYS  35  -8.355   0.153  -0.836
  272    HD2  LYS  35           HD2      LYS  35 -10.643  -0.481  -0.375
  273    HD3  LYS  35           HD1      LYS  35  -9.699  -0.472   1.115
  274    HE2  LYS  35           HE2      LYS  35 -10.619   1.724   1.687
  275    HE3  LYS  35           HE1      LYS  35 -11.546   1.737   0.187
  276    HZ1  LYS  35           HZ1      LYS  35 -12.731  -0.231   1.003
  277    HZ2  LYS  35           HZ2      LYS  35 -12.916   1.100   2.018
  278    HZ3  LYS  35           HZ3      LYS  35 -11.874  -0.134   2.467
  279    H    ARG  36           H        ARG  36  -5.376   1.879   1.614
  280    HA   ARG  36           HA       ARG  36  -5.543   3.998   3.419
  281    HB2  ARG  36           HB2      ARG  36  -3.238   2.135   2.883
  282    HB3  ARG  36           HB1      ARG  36  -3.305   3.253   4.233
  283    HG2  ARG  36           HG2      ARG  36  -5.334   2.097   5.045
  284    HG3  ARG  36           HG1      ARG  36  -5.161   0.937   3.725
  285    HD2  ARG  36           HD2      ARG  36  -4.219   0.089   5.817
  286    HD3  ARG  36           HD1      ARG  36  -2.980   0.286   4.570
  287    HE   ARG  36           HE       ARG  36  -3.104   2.635   6.051
  288   HH11  ARG  36          HH11      ARG  36  -2.130  -0.732   6.640
  289   HH12  ARG  36          HH12      ARG  36  -1.002  -0.325   7.830
  290   HH21  ARG  36          HH21      ARG  36  -1.542   3.180   7.614
  291   HH22  ARG  36          HH22      ARG  36  -0.627   1.960   8.392
  292    H    LEU  37           H        LEU  37  -3.348   3.465   0.717
  293    HA   LEU  37           HA       LEU  37  -1.855   5.820   1.079
  294    HB2  LEU  37           HB2      LEU  37  -1.257   3.729  -0.265
  295    HB3  LEU  37           HB1      LEU  37  -2.319   4.325  -1.511
  296    HG   LEU  37           HG       LEU  37   0.122   4.690  -1.938
  297   HD11  LEU  37          HD11      LEU  37  -0.039   6.982  -2.699
  298   HD12  LEU  37          HD12      LEU  37  -1.542   7.177  -1.781
  299   HD13  LEU  37          HD13      LEU  37  -1.452   6.016  -3.112
  300   HD21  LEU  37          HD21      LEU  37   0.784   5.133   0.349
  301   HD22  LEU  37          HD22      LEU  37  -0.100   6.668   0.321
  302   HD23  LEU  37          HD23      LEU  37   1.290   6.421  -0.738
  303    H    ARG  38           H        ARG  38  -4.721   5.011  -0.802
  304    HA   ARG  38           HA       ARG  38  -5.074   7.401  -2.180
  305    HB2  ARG  38           HB2      ARG  38  -6.307   5.340  -2.674
  306    HB3  ARG  38           HB1      ARG  38  -7.144   5.474  -1.142
  307    HG2  ARG  38           HG2      ARG  38  -8.272   7.469  -1.882
  308    HG3  ARG  38           HG1      ARG  38  -7.358   7.463  -3.391
  309    HD2  ARG  38           HD2      ARG  38  -9.243   5.305  -2.464
  310    HD3  ARG  38           HD1      ARG  38  -9.611   6.521  -3.682
  311    HE   ARG  38           HE       ARG  38  -7.741   5.553  -4.975
  312   HH11  ARG  38          HH11      ARG  38  -9.441   3.495  -2.598
  313   HH12  ARG  38          HH12      ARG  38  -9.106   2.042  -3.421
  314   HH21  ARG  38          HH21      ARG  38  -7.290   3.509  -6.098
  315   HH22  ARG  38          HH22      ARG  38  -7.824   2.052  -5.434
  316    H    GLU  39           H        GLU  39  -6.213   6.442   1.014
  317    HA   GLU  39           HA       GLU  39  -7.453   8.957   1.405
  318    HB2  GLU  39           HB2      GLU  39  -6.747   6.829   3.425
  319    HB3  GLU  39           HB1      GLU  39  -7.729   8.248   3.764
  320    HG2  GLU  39           HG2      GLU  39  -9.317   7.480   1.993
  321    HG3  GLU  39           HG1      GLU  39  -8.380   5.993   1.884
  322    H    ARG  40           H        ARG  40  -4.298   7.660   2.136
  323    HA   ARG  40           HA       ARG  40  -3.414   9.750   3.801
  324    HB2  ARG  40           HB2      ARG  40  -2.152   7.612   3.507
  325    HB3  ARG  40           HB1      ARG  40  -1.745   8.104   1.873
  326    HG2  ARG  40           HG2      ARG  40  -0.512  10.035   2.768
  327    HG3  ARG  40           HG1      ARG  40  -0.900   9.509   4.403
  328    HD2  ARG  40           HD2      ARG  40   0.701   7.929   2.382
  329    HD3  ARG  40           HD1      ARG  40   1.379   8.861   3.712
  330    HE   ARG  40           HE       ARG  40  -0.517   6.930   4.601
  331   HH11  ARG  40          HH11      ARG  40   2.903   7.344   3.674
  332   HH12  ARG  40          HH12      ARG  40   3.451   5.967   4.466
  333   HH21  ARG  40          HH21      ARG  40   0.254   5.001   5.724
  334   HH22  ARG  40          HH22      ARG  40   1.888   4.588   5.687
  335    H    GLU  41           H        GLU  41  -3.328   9.380   0.262
  336    HA   GLU  41           HA       GLU  41  -2.133  11.962  -0.030
  337    HB2  GLU  41           HB2      GLU  41  -2.363  11.700  -2.432
  338    HB3  GLU  41           HB1      GLU  41  -1.733  10.217  -1.750
  339    HG2  GLU  41           HG2      GLU  41  -3.733   9.061  -2.124
  340    HG3  GLU  41           HG1      GLU  41  -4.658  10.545  -2.326
  341    H    GLY  42           H        GLY  42  -5.380  10.673  -0.163
  342    HA2  GLY  42           HA2      GLY  42  -6.595  12.905  -1.398
  343    HA3  GLY  42           HA1      GLY  42  -7.408  11.593  -0.571
  344    H    ARG  43           H        ARG  43  -6.150  12.069   2.003
  345    HA   ARG  43           HA       ARG  43  -7.944  14.129   2.866
  346    HB2  ARG  43           HB2      ARG  43  -5.836  12.626   4.416
  347    HB3  ARG  43           HB1      ARG  43  -7.045  13.683   5.133
  348    HG2  ARG  43           HG2      ARG  43  -8.821  12.233   4.393
  349    HG3  ARG  43           HG1      ARG  43  -7.667  11.217   3.527
  350    HD2  ARG  43           HD2      ARG  43  -6.555  10.744   5.693
  351    HD3  ARG  43           HD1      ARG  43  -7.847  11.638   6.499
  352    HE   ARG  43           HE       ARG  43  -9.030   9.743   4.880
  353   HH11  ARG  43          HH11      ARG  43  -6.963   9.808   7.726
  354   HH12  ARG  43          HH12      ARG  43  -7.511   8.323   8.344
  355   HH21  ARG  43          HH21      ARG  43  -9.761   7.650   5.692
  356   HH22  ARG  43          HH22      ARG  43  -9.154   7.064   7.163
  357    H    ARG  44           H        ARG  44  -4.743  14.070   1.867
  358    HA   ARG  44           HA       ARG  44  -4.092  16.633   3.094
  359    HB2  ARG  44           HB2      ARG  44  -2.447  14.806   1.327
  360    HB3  ARG  44           HB1      ARG  44  -1.865  16.294   2.062
  361    HG2  ARG  44           HG2      ARG  44  -2.210  15.343   4.283
  362    HG3  ARG  44           HG1      ARG  44  -2.819  13.859   3.553
  363    HD2  ARG  44           HD2      ARG  44  -0.665  13.485   2.481
  364    HD3  ARG  44           HD1      ARG  44  -0.057  14.997   3.157
  365    HE   ARG  44           HE       ARG  44  -0.840  13.674   5.334
  366   HH11  ARG  44          HH11      ARG  44   1.250  12.716   2.641
  367   HH12  ARG  44          HH12      ARG  44   2.209  11.645   3.548
  368   HH21  ARG  44          HH21      ARG  44   0.522  12.209   6.612
  369   HH22  ARG  44          HH22      ARG  44   1.805  11.371   5.878
  370    H    GLU  45           H        GLU  45  -4.552  15.155  -0.075
  371    HA   GLU  45           HA       GLU  45  -4.753  17.810  -1.315
  372    HB2  GLU  45           HB2      GLU  45  -2.947  16.335  -2.157
  373    HB3  GLU  45           HB1      GLU  45  -4.138  15.099  -2.510
  374    HG2  GLU  45           HG2      GLU  45  -5.160  16.632  -4.157
  375    HG3  GLU  45           HG1      GLU  45  -3.861  17.782  -3.836
  376    H    VAL  46           H        VAL  46  -6.920  18.223  -1.070
  377    HA   VAL  46           HA       VAL  46  -8.765  16.167  -2.019
  378    HB   VAL  46           HB       VAL  46  -8.841  16.247   0.435
  379   HG11  VAL  46          HG11      VAL  46  -8.086  18.478   0.870
  380   HG12  VAL  46          HG12      VAL  46  -9.673  18.257   1.618
  381   HG13  VAL  46          3HG1      VAL  46  -9.524  19.154   0.110
  382   HG21  VAL  46          HG21      VAL  46 -11.311  17.456  -0.816
  383   HG22  VAL  46          HG22      VAL  46 -11.254  16.645   0.748
  384   HG23  VAL  46          HG23      VAL  46 -10.930  15.737  -0.727
  385    H    ASP  47           H        ASP  47 -10.308  16.847  -3.385
  386    HA   ASP  47           HA       ASP  47 -10.665  19.726  -3.678
  387    HB2  ASP  47           HB2      ASP  47  -9.484  18.785  -5.664
  388    HB3  ASP  47           HB1      ASP  47 -10.830  17.672  -5.901