*HEADER    ANTIMICROBIAL PROTEIN                   24-JUN-11   2LEW              
*TITLE     STRUCTURAL PLASTICITY OF PANETH CELL ALPHA-DEFENSINS: CHARACTERIZATION
*TITLE    2 OF SALT-BRIDGE DEFICIENT ANALOGUES OF MOUSE CRYPTDIN-4               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-DEFENSIN 4;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DEFENSIN-RELATED CRYPTDIN-4;                                
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: DEFA4, DEFCR4;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.ROSENGREN, H.S.ANDERSSON, L.M.HAUGAARD-KEDSTROM, E.BENGTSSON,       
*AUTHOR   2 N.L.DALY, D.J.CRAIK                                                  
*REVDAT   1   16-MAY-12 2LEW    0                                                


assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.315    0.515    0.515  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.195    0.395    0.395  
assign (resid  17 and name   HB)   (resid  18 and name   HN)   3.000    1.200    1.200  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.380    0.580    0.580  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.505    0.705    0.705  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.985    1.185    1.185  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.480    1.680    1.680  
assign (resid  20 and name   HB)   (resid  21 and name   HN)   2.395    0.595    0.595  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.270    0.470    0.470  
assign (resid   7 and name   HN)   (resid  26 and name   HN)   2.625    0.825    0.825  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   3.060    1.260    1.260  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.535    0.735    0.735  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.130    0.330    0.330  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.335    0.535    0.535  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.180    0.380    0.380  
assign (resid  28 and name   HA)   (resid  29 and name   HN)   2.210    0.410    0.410  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   2.905    1.105    1.105  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.195    0.395    0.395  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.230    1.430    1.430  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.520    0.720    0.720  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.045    1.245    1.245  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   3.370    1.570    1.570  
assign (resid  26 and name  HB2)   (resid  27 and name   HN)   2.985    1.185    1.185  
assign (resid  26 and name  HB1)   (resid  27 and name   HN)   2.520    0.720    0.720  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.090    1.290    1.290  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.580    0.780    0.780  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.180    0.380    0.380  
assign (resid   6 and name   HA)   (resid  28 and name   HN)   2.795    0.995    0.995  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   3.340    1.540    1.540  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.640    0.840    0.840  
assign (resid  21 and name   HN)   (resid  25 and name   HN)   2.905    1.105    1.105  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   3.295    1.495    1.495  
assign (resid  19 and name   HN)   (resid  27 and name   HN)   3.090    1.290    1.290  
assign (resid  21 and name   HN)   (resid  25 and name  HB2)   2.905    1.105    1.105  
assign (resid  17 and name   HB)   (resid  19 and name   HN)   3.170    1.370    1.370  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.060    1.260    1.260  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.060    1.260    1.260  
assign (resid  18 and name   HN)   (resid  28 and name   HA)   2.795    0.995    0.995  
assign (resid   8 and name   HA)   (resid  26 and name   HN)   2.795    0.995    0.995  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.495    1.695    1.695  
assign (resid   6 and name   HA)   (resid  27 and name   HA)   2.380    0.580    0.580  
assign (resid  17 and name   HA)   (resid  28 and name   HA)   2.505    0.705    0.705  
assign (resid   8 and name   HA)   (resid  25 and name   HA)   2.440    0.640    0.640  
assign (resid  20 and name   HA)   (resid  27 and name   HN)   2.410    0.610    0.610  
assign (resid  21 and name   HN)   (resid  26 and name   HA)   2.705    0.905    0.905  
assign (resid   7 and name   HN)   (resid  27 and name   HA)   3.000    1.200    1.200  
assign (resid  21 and name   HN)   (resid  25 and name  HB1)   3.260    1.460    1.460  
assign (resid   5 and name   HA)   (resid   6 and name   HA)   2.985    1.185    1.185  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   2.180    0.380    0.380  
assign (resid  18 and name  HG#)   (resid  27 and name  HD#)   4.555    2.755    2.755  
assign (resid   5 and name  HD#)   (resid   7 and name  HB1)   4.365    2.565    2.565  
assign (resid   5 and name  HE#)   (resid   7 and name  HB1)   4.175    2.375    2.375  
assign (resid   5 and name  HD#)   (resid   7 and name  HB2)   4.365    2.565    2.565  
assign (resid   5 and name  HE#)   (resid   7 and name  HB2)   4.175    2.375    2.375  
assign (resid  29 and name  HB1)   (resid  30 and name  HD1)   3.090    1.290    1.290  
assign (resid   5 and name  HE#)   (resid   7 and name  HD2)   4.145    2.345    2.345  
assign (resid   5 and name  HE#)   (resid   7 and name  HD1)   4.145    2.345    2.345  
assign (resid   5 and name   HA)   (resid   7 and name  HD2)   3.540    1.740    1.740  
assign (resid   5 and name   HA)   (resid   7 and name  HD1)   3.540    1.740    1.740  
assign (resid   5 and name  HE#)   (resid  30 and name  HD2)   4.715    2.915    2.915  
assign (resid   5 and name  HE#)   (resid  12 and name  HG1)   4.715    2.915    2.915  
assign (resid   4 and name   HA)   (resid   5 and name  HD#)   4.285    2.485    2.485  
assign (resid  19 and name   HN)   (resid  27 and name  HB1)   3.570    1.770    1.770  
assign (resid   8 and name  HB1)   (resid  25 and name  HE#)   4.370    2.570    2.570  
assign (resid   8 and name  HB1)   (resid  25 and name   HZ)   3.140    1.340    1.340  
assign (resid   8 and name  HB2)   (resid  25 and name   HZ)   3.400    1.600    1.600  
assign (resid   8 and name  HB2)   (resid  25 and name  HE#)   4.585    2.785    2.785  
assign (resid   8 and name   HA)   (resid  25 and name  HD#)   4.555    2.755    2.755  
assign (resid  16 and name  HG#)   (resid  29 and name   HN)   3.870    2.070    2.070  
assign (resid   6 and name  HB2)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid  18 and name  HB#)   (resid  27 and name  HD#)   4.970    3.170    3.170  
assign (resid   4 and name  HB1)   (resid  27 and name  HE#)   4.330    2.530    2.530  
assign (resid   4 and name  HB2)   (resid  27 and name  HE#)   4.375    2.575    2.575  
assign (resid  29 and name   HA)   (resid  30 and name  HD2)   2.255    0.455    0.455  
assign (resid  29 and name   HA)   (resid  30 and name  HD1)   2.255    0.455    0.455  
assign (resid  29 and name  HB1)   (resid  30 and name  HD2)   3.090    1.290    1.290  
assign (resid   7 and name  HD2)   (resid  12 and name  HG1)   3.650    1.850    1.850  
assign (resid   7 and name  HD1)   (resid  12 and name  HG1)   3.650    1.850    1.850  
assign (resid  21 and name  HB#)   (resid  27 and name  HB2)   4.025    2.225    2.225  
assign (resid  18 and name  HG#)   (resid  29 and name  HB2)   3.205    1.405    1.405  
assign (resid  20 and name HG2#)   (resid  21 and name   HN)   3.745    1.945    1.945  
assign (resid  17 and name HG2#)   (resid  18 and name   HN)   4.165    2.365    2.365  
assign (resid  17 and name HG2#)   (resid  27 and name   HN)   4.135    2.335    2.335  
assign (resid  10 and name   HA)   (resid  26 and name HD2#)   3.685    1.885    1.885  
assign (resid  10 and name   HA)   (resid  26 and name HD1#)   3.685    1.885    1.885  
assign (resid  22 and name  HA1)   (resid  23 and name   HN)   2.440    0.640    0.640  
assign (resid  22 and name  HA2)   (resid  23 and name   HN)   2.440    0.640    0.640  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   3.175    1.375    1.375  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.285    0.485    0.485  
assign (resid  19 and name  HA2)   (resid  20 and name   HN)   2.335    0.535    0.535  
assign (resid  19 and name  HA1)   (resid  20 and name   HN)   2.335    0.535    0.535  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.315    0.515    0.515  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.270    0.470    0.470  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.350    0.550    0.550  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.350    0.550    0.550  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.255    0.455    0.455  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name   HN)   (resid  28 and name   HA)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  21 and name   HA)   3.650    1.850    1.850  
assign (resid  18 and name  HG#)   (resid  19 and name   HN)   4.090    2.290    2.290  
assign (resid   8 and name  HE#)   (resid   9 and name   HN)   4.090    2.290    2.290  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   4.090    2.290    2.290  
assign (resid  26 and name   HG)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HG#)   (resid   9 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name  HD#)   (resid   7 and name  HG#)   5.160    3.360    3.360  
assign (resid   5 and name  HE#)   (resid   7 and name  HG#)   5.155    3.355    3.355  
assign (resid   5 and name  HD#)   (resid   7 and name  HD1)   4.720    2.920    2.920  
assign (resid   5 and name  HD#)   (resid   7 and name  HD2)   4.720    2.920    2.920  
assign (resid   5 and name  HE#)   (resid   7 and name   HA)   4.715    2.915    2.915  
assign (resid   5 and name  HE#)   (resid  12 and name  HE#)   5.155    3.355    3.355  
assign (resid   5 and name  HE#)   (resid  28 and name  HB1)   4.715    2.915    2.915  
assign (resid   6 and name   HA)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   4.720    2.920    2.920  
assign (resid   7 and name   HN)   (resid  25 and name  HD#)   4.710    2.910    2.910  
assign (resid  25 and name  HD#)   (resid  26 and name   HN)   4.710    2.910    2.910  
assign (resid   8 and name  HG#)   (resid  25 and name  HD#)   5.150    3.350    3.350  
assign (resid   8 and name  HB2)   (resid  25 and name  HD#)   4.710    2.910    2.910  
assign (resid   8 and name  HB1)   (resid  25 and name  HD#)   4.710    2.910    2.910  
assign (resid  24 and name  HB#)   (resid  25 and name  HD#)   5.150    3.350    3.350  
assign (resid  19 and name   HN)   (resid  27 and name  HB2)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid  25 and name  HE#)   4.710    2.910    2.910  
assign (resid   8 and name   HA)   (resid  25 and name   HZ)   3.650    1.850    1.850  
assign (resid   8 and name  HE#)   (resid  25 and name  HE#)   5.150    3.350    3.350  
assign (resid   8 and name  HE#)   (resid  25 and name   HZ)   4.090    2.290    2.290  
assign (resid  24 and name  HB#)   (resid  25 and name  HE#)   5.150    3.350    3.350  
assign (resid  24 and name  HB#)   (resid  25 and name   HZ)   4.090    2.290    2.290  
assign (resid   8 and name  HG#)   (resid  25 and name  HE#)   5.150    3.350    3.350  
assign (resid   8 and name  HG#)   (resid  25 and name   HZ)   4.090    2.290    2.290  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   4.090    2.290    2.290  
assign (resid  16 and name  HB#)   (resid  29 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name  HE#)   (resid  12 and name  HG2)   4.715    2.915    2.915  
assign (resid  21 and name  HB#)   (resid  27 and name  HD#)   5.160    3.360    3.360  
assign (resid   4 and name  HB1)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid  18 and name  HB#)   (resid  27 and name  HE#)   5.155    3.355    3.355  
assign (resid  18 and name  HG#)   (resid  27 and name  HE#)   5.155    3.355    3.355  
assign (resid  18 and name  HD#)   (resid  27 and name  HE#)   5.155    3.355    3.355  
assign (resid  21 and name  HB#)   (resid  27 and name  HE#)   5.155    3.355    3.355  
assign (resid  18 and name  HD#)   (resid  27 and name  HD#)   5.160    3.360    3.360  
assign (resid   4 and name  HB2)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid  21 and name  HB#)   (resid  25 and name  HD#)   5.150    3.350    3.350  
assign (resid   6 and name   HA)   (resid  21 and name  HB#)   4.090    2.290    2.290  
assign (resid  22 and name  HA1)   (resid  25 and name  HD#)   4.710    2.910    2.910  
assign (resid   7 and name   HA)   (resid  25 and name  HD#)   4.710    2.910    2.910  
assign (resid  19 and name  HA1)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid   6 and name  HB1)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid   7 and name  HD2)   (resid  12 and name  HG2)   3.650    1.850    1.850  
assign (resid   7 and name  HD1)   (resid  12 and name  HG2)   3.650    1.850    1.850  
assign (resid  18 and name  HD#)   (resid  28 and name  HB1)   4.090    2.290    2.290  
assign (resid   8 and name  HG#)   (resid   9 and name  HA2)   4.090    2.290    2.290  
assign (resid   5 and name   HN)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid  21 and name   HN)   (resid  27 and name  HB2)   3.650    1.850    1.850  
assign (resid  22 and name  HA2)   (resid  25 and name  HD#)   4.710    2.910    2.910  
assign (resid  19 and name  HA2)   (resid  27 and name  HD#)   4.720    2.920    2.920  
assign (resid   5 and name  HD#)   (resid   7 and name   HN)   4.720    2.920    2.920  
assign (resid   4 and name   HA)   (resid   5 and name  HE#)   4.715    2.915    2.915  
assign (resid   5 and name  HD#)   (resid  12 and name  HE#)   5.160    3.360    3.360  
assign (resid   5 and name  HE#)   (resid  28 and name  HB2)   4.715    2.915    2.915  
assign (resid   5 and name  HE#)   (resid  30 and name  HD1)   4.715    2.915    2.915  
assign (resid   5 and name  HE#)   (resid  30 and name  HB#)   5.155    3.355    3.355  
assign (resid   8 and name  HG#)   (resid   9 and name  HA1)   4.090    2.290    2.290  
assign (resid  17 and name HG1#)   (resid  18 and name   HN)   4.165    2.365    2.365  
assign (resid  23 and name HD1#)   (resid  24 and name   HN)   4.100    2.300    2.300  
assign (resid  17 and name HG1#)   (resid  19 and name   HN)   3.545    1.745    1.745  
assign (resid  17 and name HG1#)   (resid  27 and name   HN)   4.135    2.335    2.335  
assign (resid  17 and name HG2#)   (resid  19 and name   HN)   3.545    1.745    1.745  
assign (resid   5 and name   HN)   (resid  30 and name  HD#)   4.090    2.290    2.290  
assign (resid   5 and name  HD#)   (resid   7 and name  HB#)   4.015    2.215    2.215  
assign (resid   5 and name  HD#)   (resid  30 and name  HG#)   5.160    3.360    3.360  
assign (resid   5 and name  HD#)   (resid  30 and name  HD#)   5.160    3.360    3.360  
assign (resid   5 and name  HE#)   (resid   7 and name  HB#)   3.975    2.175    2.175  
assign (resid   5 and name  HE#)   (resid   7 and name  HD#)   4.075    2.275    2.275  
assign (resid   5 and name  HE#)   (resid  12 and name  HB#)   5.125    3.325    3.325  
assign (resid   5 and name  HE#)   (resid  12 and name  HG#)   4.500    2.700    2.700  
assign (resid   5 and name  HE#)   (resid  30 and name  HG#)   5.155    3.355    3.355  
assign (resid   5 and name  HE#)   (resid  30 and name  HD#)   4.605    2.805    2.805  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.770    0.970    0.970  
assign (resid   6 and name  HB#)   (resid  27 and name  HD#)   4.610    2.810    2.810  
assign (resid   6 and name  HB#)   (resid  27 and name  HE#)   5.155    3.355    3.355  
assign (resid   7 and name  HD#)   (resid  12 and name  HG#)   3.405    1.605    1.605  
assign (resid  10 and name   HA)   (resid  26 and name  HD#)   3.240    1.440    1.440  
assign (resid  11 and name  HB2)   (resid  15 and name  HA#)   3.125    1.325    1.325  
assign (resid  15 and name  HA#)   (resid  16 and name   HN)   2.515    0.715    0.715  
assign (resid  15 and name  HA#)   (resid  16 and name   HA)   3.300    1.500    1.500  
assign (resid  15 and name  HA#)   (resid  28 and name  HB1)   4.090    2.290    2.290  
assign (resid  17 and name  HG*)   (resid  18 and name   HN)   3.730    1.930    1.930  
assign (resid  17 and name  HG*)   (resid  19 and name   HN)   3.135    1.335    1.335  
assign (resid  17 and name  HG*)   (resid  27 and name   HN)   3.860    2.060    2.060  
assign (resid  19 and name  HA#)   (resid  20 and name   HN)   2.210    0.410    0.410  
assign (resid  19 and name  HA#)   (resid  27 and name  HB2)   4.090    2.290    2.290  
assign (resid  19 and name  HA#)   (resid  27 and name  HB1)   3.920    2.120    2.120  
assign (resid  21 and name   HN)   (resid  26 and name  HD#)   4.950    3.150    3.150  
assign (resid  22 and name  HA#)   (resid  23 and name   HN)   2.270    0.470    0.470  
assign (resid  26 and name  HD#)   (resid  27 and name   HN)   4.685    2.885    2.885  
assign (resid  29 and name   HA)   (resid  30 and name  HD#)   2.125    0.325    0.325  
assign (resid  29 and name  HB2)   (resid  30 and name  HD#)   3.745    1.945    1.945  
assign (resid  29 and name  HB1)   (resid  30 and name  HD#)   2.755    0.955    0.955  


! phi angles
 !!    LEU 3 
assign (resid   2 and name C )   (resid  3 and name N ) 
       (resid   3 and name CA)   (resid  3 and name C )    1  -100.0   80.0  2 
 !!    Cys
assign (resid   3 and name C )   (resid  4 and name N ) 
       (resid   4 and name CA)   (resid  4 and name C )    1  -100.0   80.0  2 
 !!    Tyr 5 
assign (resid   4 and name C )   (resid  5 and name N ) 
       (resid   5 and name CA)   (resid  5 and name C )    1  -100.0   80.0  2 
 !!    CYS 6
assign (resid   5 and name C )   (resid  6 and name N ) 
       (resid   6 and name CA)   (resid  6 and name C )    1  -100.0   80.0  2 
 !!    Arg 7
assign (resid   6 and name C )   (resid  7 and name N ) 
       (resid   7 and name CA)   (resid  7 and name C )    1  -120.0   30.0  2  
 !!    Lys 8
assign (resid   7 and name C )   (resid  8 and name N ) 
       (resid   8 and name CA)   (resid  8 and name C )    1  -100.0   80.0  2  
 !!    His 10 
assign (resid   9 and name C )   (resid  10 and name N ) 
       (resid   10 and name CA)   (resid  10 and name C )    1  -100.0   80.0  2 
 !!    Cys 11 
!assign (resid   10 and name C )   (resid  11 and name N ) 
!       (resid   11 and name CA)   (resid  11 and name C )    1  -100.0   80.0  2
 !!    Lys 12 
assign (resid   11 and name C )   (resid  12 and name N ) 
       (resid   12 and name CA)   (resid  12 and name C )    1  -100.0   80.0  2 
 !!    Arg 13 
!assign (resid   12 and name C )   (resid  13 and name N ) 
!       (resid   13 and name CA)   (resid  13 and name C )    1  -120.0   30.0  2 
 !!    Arg 16
assign (resid   15 and name C )   (resid  16 and name N ) 
       (resid   16 and name CA)   (resid  16 and name C )    1  -120.0   30.0  2
 !!    Val 17 
assign (resid   16 and name C )   (resid  17 and name N ) 
       (resid   17 and name CA)   (resid  17 and name C )    1   -100.0   80.0  2
 !!    Arg 18 
assign (resid   17 and name C )   (resid  18 and name N ) 
       (resid   18 and name CA)   (resid  18 and name C )    1  -120.0   30.0  2 
 !!    Thr 20 
assign (resid   19 and name C )   (resid  20 and name N ) 
       (resid   20 and name CA)   (resid  20 and name C )    1  -100.0   80.0  2 
 !!    Cys 21  
assign (resid   20 and name C )   (resid  21 and name N ) 
       (resid   21 and name CA)   (resid  21 and name C )    1  -120.0   30.0  2 
 !!    Ile 23 
assign (resid   22 and name C )   (resid  23 and name N ) 
       (resid   23 and name CA)   (resid  23 and name C )    1  -100.0   80.0  2
 !!    Arg 24 
!assign (resid   23 and name C )   (resid  24 and name N ) 
!       (resid   24 and name CA)   (resid  24 and name C )    1  -100.0   80.0  2
 !!    Phe 25
assign (resid   24 and name C )   (resid  25 and name N ) 
       (resid   25 and name CA)   (resid  25 and name C )     1  -120.0   30.0  2
 !!    Leu 26
assign (resid   25 and name C )   (resid  26 and name N ) 
       (resid   26 and name CA)   (resid  26 and name C )     1  -120.0   30.0  2
 !!    Tyr 27
assign (resid   26 and name C )   (resid  27 and name N ) 
       (resid   27 and name CA)   (resid  27 and name C )     1  -120.0   30.0  2 
 !!    Cys 28
assign (resid   27 and name C )   (resid  28 and name N ) 
       (resid   28 and name CA)   (resid  28 and name C )     1  -120.0   30.0  2 
 !!    Cys 29
assign (resid   28 and name C )   (resid  29 and name N ) 
       (resid   29 and name CA)   (resid  29 and name C )     1  -120.0   30.0  2 
 !!    Arg 31
assign (resid   30 and name C )   (resid  31 and name N ) 
       (resid   31 and name CA)   (resid  31 and name C )     1  -100.0   80.0  2 ! 

!chi Angles

 !!    Cys 4 
assign (resid   4 and name N )   (resid  4 and name CA) 
       (resid   4 and name CB)   (resid  4 and name SG)    1  -60.0   30.0  2 
 !!    Tyr  5 
assign (resid   5 and name N )   (resid  5 and name CA) 
       (resid   5 and name CB)   (resid  5 and name CG)    1   60.0   30.0  2 
  !!   Lys 8  
assign (resid   8 and name N )  (resid  8 and name CA) 
       (resid   8 and name CB)  (resid  8 and name CG)   1   -180.0   30.0  2
 !!    Cys 6 
assign (resid   6 and name N )   (resid  6 and name CA) 
       (resid   6 and name CB)   (resid  6 and name SG)    1    120.0   90.0  2 
 !!   Cys 11   
assign (resid   11 and name N )  (resid  11 and name CA) 
       (resid   11 and name CB)  (resid  11 and name SG)   1   -60.0   30.0  2
  !!   Phe 25   
assign (resid   19 and name N )  (resid  19 and name CA) 
       (resid   19 and name CB)  (resid  19 and name CG)   1   -60.0   30.0  2
  !!   Leu 26  
assign (resid   26 and name N )  (resid  26 and name CA) 
       (resid   26 and name CB)  (resid  26 and name CG)   1   -60.0   30.0  2
  !!   Tyr 27  
assign (resid   27 and name N )  (resid  27 and name CA) 
       (resid   27 and name CB)  (resid  27 and name CG)   1   -180.0   30.0  2
 !!   Cys 28   
assign (resid   28 and name N )  (resid  28 and name CA) 
       (resid   28 and name CB)  (resid  28 and name SG)   1   -60.0   30.0  2
 !!   Cys 29   
assign (resid   29 and name N )  (resid  29 and name CA) 
       (resid   29 and name CB)  (resid  29 and name SG)   1   -60.0   30.0  2

assign (resid 5 and name    HN)   (resid 28 and name   O)     1.600    0.400    0.700  
assign (resid 5 and name     N)   (resid 28 and name   O)     2.400    0.600    0.900  
assign (resid 28 and name   HN)   (resid 5 and name   O)     1.600    0.400    0.700  
assign (resid 28 and name    N)   (resid 5 and name   O)     2.400    0.600    0.600
assign (resid 26 and name   HN)   (resid 7 and name   O)     1.600    0.400    0.700  
assign (resid 26 and name    N)   (resid 7 and name   O)     2.400    0.600    0.900  
assign (resid 29 and name   HN)   (resid 16 and name   O)     1.600    0.400    0.700  
assign (resid 29 and name    N)   (resid 16 and name   O)     2.400    0.600    0.900  
assign (resid 19 and name   HN)   (resid 27 and name   O)     1.600    0.400    0.700  
assign (resid 19 and name    N)   (resid 27 and name   O)     2.400    0.600    0.600
assign (resid 27 and name   HN)   (resid 19 and name   O)     1.600    0.400    0.700  
assign (resid 27 and name    N)   (resid 19 and name   O)     2.400    0.600    0.900  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1   8.264   3.578   5.140
    2    H2   GLY   1           2HT      GLY   1   7.395   4.402   3.945
    3    H3   GLY   1           3HT      GLY   1   6.572   3.476   5.097
    4    HA2  GLY   1           HA1      GLY   1   7.009   4.978   6.816
    5    HA3  GLY   1           HA2      GLY   1   8.261   5.779   5.874
    6    H    LEU   2           H        LEU   2   7.381   7.833   5.935
    7    HA   LEU   2           HA       LEU   2   5.979   9.567   5.472
    8    HB2  LEU   2           HB2      LEU   2   5.410   7.825   3.069
    9    HB3  LEU   2           HB1      LEU   2   4.989   9.521   3.199
   10    HG   LEU   2           HG       LEU   2   7.803   8.423   3.235
   11   HD11  LEU   2          HD11      LEU   2   6.441   8.322   1.061
   12   HD12  LEU   2          HD12      LEU   2   8.025   9.095   1.014
   13   HD13  LEU   2          HD13      LEU   2   6.563  10.081   1.067
   14   HD21  LEU   2          HD21      LEU   2   6.910  10.779   4.312
   15   HD22  LEU   2          HD22      LEU   2   7.379  11.259   2.681
   16   HD23  LEU   2          HD23      LEU   2   8.549  10.471   3.739
   17    H    LEU   3           H        LEU   3   3.519   8.728   3.649
   18    HA   LEU   3           HA       LEU   3   1.774   8.097   5.933
   19    HB2  LEU   3           HB2      LEU   3   1.475  10.325   4.774
   20    HB3  LEU   3           HB1      LEU   3   0.994   9.440   3.341
   21    HG   LEU   3           HG       LEU   3  -0.917   8.488   4.596
   22   HD11  LEU   3          HD11      LEU   3  -0.547   8.457   6.827
   23   HD12  LEU   3          HD12      LEU   3  -1.373  10.013   6.742
   24   HD13  LEU   3          HD13      LEU   3   0.389   9.952   6.805
   25   HD21  LEU   3          HD21      LEU   3  -0.964  11.480   4.828
   26   HD22  LEU   3          HD22      LEU   3  -2.278  10.383   4.402
   27   HD23  LEU   3          HD23      LEU   3  -0.962  10.666   3.262
   28    H    CYS   4           H        CYS   4   3.275   6.208   4.326
   29    HA   CYS   4           HA       CYS   4   1.441   4.943   2.507
   30    HB2  CYS   4           HB2      CYS   4   3.901   3.683   3.697
   31    HB3  CYS   4           HB1      CYS   4   3.119   3.301   2.172
   32    H    TYR   5           H        TYR   5   0.539   2.831   2.809
   33    HA   TYR   5           HA       TYR   5   0.355   1.960   5.595
   34    HB2  TYR   5           HB2      TYR   5  -2.150   1.535   5.123
   35    HB3  TYR   5           HB1      TYR   5  -1.623   3.162   5.525
   36    HD1  TYR   5           HD2      TYR   5  -2.250   1.010   2.521
   37    HD2  TYR   5           HD1      TYR   5  -2.349   4.909   4.219
   38    HE1  TYR   5           HE2      TYR   5  -3.322   1.867   0.481
   39    HE2  TYR   5           HE1      TYR   5  -3.426   5.774   2.188
   40    HH   TYR   5           HH       TYR   5  -4.905   3.931  -0.032
   41    H    CYS   6           H        CYS   6   0.153  -0.095   5.989
   42    HA   CYS   6           HA       CYS   6   0.592  -1.932   3.772
   43    HB2  CYS   6           HB2      CYS   6   2.147  -2.034   5.647
   44    HB3  CYS   6           HB1      CYS   6   0.815  -2.264   6.770
   45    H    ARG   7           H        ARG   7  -1.089  -3.118   3.018
   46    HA   ARG   7           HA       ARG   7  -3.311  -3.706   4.865
   47    HB2  ARG   7           HB2      ARG   7  -3.676  -2.893   1.975
   48    HB3  ARG   7           HB1      ARG   7  -4.948  -3.277   3.121
   49    HG2  ARG   7           HG2      ARG   7  -3.102  -0.899   3.211
   50    HG3  ARG   7           HG1      ARG   7  -4.817  -0.895   2.805
   51    HD2  ARG   7           HD2      ARG   7  -3.600  -1.592   5.473
   52    HD3  ARG   7           HD1      ARG   7  -4.484  -0.123   5.079
   53    HE   ARG   7           HE       ARG   7  -6.174  -2.254   4.534
   54   HH11  ARG   7          HH11      ARG   7  -4.532  -0.909   7.309
   55   HH12  ARG   7          HH12      ARG   7  -5.754  -1.389   8.439
   56   HH21  ARG   7          HH21      ARG   7  -7.798  -2.911   6.028
   57   HH22  ARG   7          HH22      ARG   7  -7.617  -2.534   7.706
   58    H    LYS   8           H        LYS   8  -4.024  -5.748   4.804
   59    HA   LYS   8           HA       LYS   8  -2.598  -7.702   3.324
   60    HB2  LYS   8           HB2      LYS   8  -3.457  -8.120   5.597
   61    HB3  LYS   8           HB1      LYS   8  -5.102  -7.983   4.998
   62    HG2  LYS   8           HG2      LYS   8  -4.692  -9.931   3.532
   63    HG3  LYS   8           HG1      LYS   8  -3.087 -10.091   4.247
   64    HD2  LYS   8           HD2      LYS   8  -4.559 -11.636   5.342
   65    HD3  LYS   8           HD1      LYS   8  -4.180 -10.337   6.475
   66    HE2  LYS   8           HE2      LYS   8  -6.542 -10.882   6.577
   67    HE3  LYS   8           HE1      LYS   8  -6.317  -9.258   5.933
   68    HZ1  LYS   8           HZ1      LYS   8  -7.148  -9.840   3.944
   69    HZ2  LYS   8           HZ2      LYS   8  -7.874 -11.104   4.802
   70    HZ3  LYS   8           HZ3      LYS   8  -6.435 -11.374   3.957
   71    H    GLY   9           H        GLY   9  -3.042  -8.554   1.455
   72    HA2  GLY   9           HA2      GLY   9  -4.291  -9.388  -0.323
   73    HA3  GLY   9           HA1      GLY   9  -5.739  -8.729   0.416
   74    H    HIS  10           H        HIS  10  -5.331  -6.087   0.561
   75    HA   HIS  10           HA       HIS  10  -4.134  -4.951  -1.753
   76    HB2  HIS  10           HB2      HIS  10  -6.122  -6.080  -2.783
   77    HB3  HIS  10           HB1      HIS  10  -7.159  -5.069  -1.785
   78    HD1  HIS  10           HD1      HIS  10  -4.333  -4.479  -4.283
   79    HD2  HIS  10           HD2      HIS  10  -7.998  -2.889  -3.133
   80    HE1  HIS  10           HE1      HIS  10  -4.739  -2.535  -5.826
   81    H    CYS  11           H        CYS  11  -3.919  -2.798  -1.536
   82    HA   CYS  11           HA       CYS  11  -4.378  -1.582   0.938
   83    HB2  CYS  11           HB2      CYS  11  -3.842  -0.256  -1.724
   84    HB3  CYS  11           HB1      CYS  11  -3.615   0.472  -0.137
   85    H    LYS  12           H        LYS  12  -5.841  -0.095   1.641
   86    HA   LYS  12           HA       LYS  12  -8.384  -0.067   0.224
   87    HB2  LYS  12           HB2      LYS  12  -7.629   0.805   3.020
   88    HB3  LYS  12           HB1      LYS  12  -9.256   0.890   2.357
   89    HG2  LYS  12           HG2      LYS  12  -7.667  -1.652   2.641
   90    HG3  LYS  12           HG1      LYS  12  -8.864  -1.083   3.807
   91    HD2  LYS  12           HD2      LYS  12 -10.589  -1.161   2.061
   92    HD3  LYS  12           HD1      LYS  12  -9.387  -1.727   0.901
   93    HE2  LYS  12           HE2      LYS  12  -9.036  -3.740   2.232
   94    HE3  LYS  12           HE1      LYS  12 -10.203  -3.168   3.423
   95    HZ1  LYS  12           HZ1      LYS  12 -11.679  -3.063   1.222
   96    HZ2  LYS  12           HZ2      LYS  12 -11.589  -4.438   2.203
   97    HZ3  LYS  12           HZ3      LYS  12 -10.651  -4.338   0.798
   98    H    ARG  13           H        ARG  13  -9.366   1.735  -0.513
   99    HA   ARG  13           HA       ARG  13  -9.442   3.702  -1.630
  100    HB2  ARG  13           HB2      ARG  13  -9.437   5.677  -0.217
  101    HB3  ARG  13           HB1      ARG  13 -10.253   4.348   0.588
  102    HG2  ARG  13           HG2      ARG  13  -8.616   4.129   2.183
  103    HG3  ARG  13           HG1      ARG  13  -7.372   4.849   1.160
  104    HD2  ARG  13           HD2      ARG  13  -8.656   7.020   1.360
  105    HD3  ARG  13           HD1      ARG  13  -9.608   6.235   2.619
  106    HE   ARG  13           HE       ARG  13  -7.902   6.668   4.045
  107   HH11  ARG  13          HH11      ARG  13  -6.536   6.465   0.815
  108   HH12  ARG  13          HH12      ARG  13  -4.923   6.821   1.339
  109   HH21  ARG  13          HH21      ARG  13  -5.769   7.147   4.731
  110   HH22  ARG  13          HH22      ARG  13  -4.488   7.211   3.568
  111    H    GLY  14           H        GLY  14  -7.182   2.570  -2.448
  112    HA2  GLY  14           HA2      GLY  14  -5.634   4.777  -3.282
  113    HA3  GLY  14           HA1      GLY  14  -4.784   3.920  -2.006
  114    H    GLY  15           H        GLY  15  -4.748   4.274  -5.147
  115    HA2  GLY  15           HA2      GLY  15  -4.165   1.430  -5.696
  116    HA3  GLY  15           HA1      GLY  15  -4.784   2.547  -6.907
  117    H    ARG  16           H        ARG  16  -2.263   3.039  -4.497
  118    HA   ARG  16           HA       ARG  16  -0.310   3.363  -6.673
  119    HB2  ARG  16           HB2      ARG  16  -0.736   5.100  -4.244
  120    HB3  ARG  16           HB1      ARG  16   0.766   5.114  -5.154
  121    HG2  ARG  16           HG2      ARG  16  -1.933   5.717  -6.344
  122    HG3  ARG  16           HG1      ARG  16  -0.814   6.939  -5.739
  123    HD2  ARG  16           HD2      ARG  16  -0.420   6.866  -8.047
  124    HD3  ARG  16           HD1      ARG  16   0.893   5.929  -7.341
  125    HE   ARG  16           HE       ARG  16  -1.296   4.258  -8.054
  126   HH11  ARG  16          HH11      ARG  16   1.473   5.974  -9.367
  127   HH12  ARG  16          HH12      ARG  16   1.570   4.966 -10.782
  128   HH21  ARG  16          HH21      ARG  16  -1.159   2.935  -9.901
  129   HH22  ARG  16          HH22      ARG  16   0.070   3.232 -11.085
  130    H    VAL  17           H        VAL  17  -0.208   0.990  -5.903
  131    HA   VAL  17           HA       VAL  17   0.974   0.344  -3.445
  132    HB   VAL  17           HB       VAL  17  -0.095  -1.388  -4.708
  133   HG11  VAL  17          HG11      VAL  17   0.146  -1.754  -6.893
  134   HG12  VAL  17          HG21      VAL  17   1.905  -1.796  -6.772
  135   HG13  VAL  17          3HG1      VAL  17   1.069  -0.251  -6.930
  136   HG21  VAL  17          HG12      VAL  17   2.183  -2.864  -5.057
  137   HG22  VAL  17          HG22      VAL  17   1.304  -2.667  -3.542
  138   HG23  VAL  17          HG23      VAL  17   2.688  -1.634  -3.898
  139    H    ARG  18           H        ARG  18   2.973   0.427  -2.715
  140    HA   ARG  18           HA       ARG  18   5.032   1.473  -4.505
  141    HB2  ARG  18           HB2      ARG  18   4.442   2.509  -2.214
  142    HB3  ARG  18           HB1      ARG  18   5.305   1.140  -1.527
  143    HG2  ARG  18           HG2      ARG  18   6.827   2.952  -1.627
  144    HG3  ARG  18           HG1      ARG  18   7.290   1.818  -2.898
  145    HD2  ARG  18           HD2      ARG  18   5.601   4.281  -3.330
  146    HD3  ARG  18           HD1      ARG  18   7.339   4.208  -3.603
  147    HE   ARG  18           HE       ARG  18   5.287   3.293  -5.348
  148   HH11  ARG  18          HH11      ARG  18   8.577   2.620  -4.345
  149   HH12  ARG  18          HH12      ARG  18   8.975   1.749  -5.787
  150   HH21  ARG  18          HH21      ARG  18   5.807   2.145  -7.250
  151   HH22  ARG  18          HH22      ARG  18   7.395   1.480  -7.447
  152    H    GLY  19           H        GLY  19   4.093  -1.304  -2.692
  153    HA2  GLY  19           HA2      GLY  19   5.684  -3.113  -4.023
  154    HA3  GLY  19           HA1      GLY  19   6.641  -2.594  -2.642
  155    H    THR  20           H        THR  20   6.273  -5.078  -2.411
  156    HA   THR  20           HA       THR  20   3.724  -5.782  -1.263
  157    HB   THR  20           HB       THR  20   4.974  -7.961  -0.747
  158    HG1  THR  20           HG1      THR  20   7.095  -7.006  -0.994
  159   HG21  THR  20          HG12      THR  20   3.443  -7.896  -2.573
  160   HG22  THR  20          HG22      THR  20   4.924  -8.637  -3.180
  161   HG23  THR  20          HG23      THR  20   4.560  -6.953  -3.560
  162    H    CYS  21           H        CYS  21   3.235  -5.980   0.831
  163    HA   CYS  21           HA       CYS  21   5.185  -5.006   2.785
  164    HB2  CYS  21           HB2      CYS  21   2.938  -3.955   2.693
  165    HB3  CYS  21           HB1      CYS  21   2.218  -5.509   3.095
  166    H    GLY  22           H        GLY  22   5.886  -7.421   1.895
  167    HA2  GLY  22           HA2      GLY  22   6.685  -9.324   3.051
  168    HA3  GLY  22           HA1      GLY  22   5.373  -9.138   4.208
  169    H    ILE  23           H        ILE  23   4.359 -11.083   4.080
  170    HA   ILE  23           HA       ILE  23   3.707 -12.106   1.422
  171    HB   ILE  23           HB       ILE  23   3.053 -14.202   2.519
  172   HG12  ILE  23          HG21      ILE  23   2.459 -13.105   4.748
  173   HG13  ILE  23          HG11      ILE  23   3.310 -14.640   4.830
  174   HG21  ILE  23          HG12      ILE  23   5.155 -14.605   1.912
  175   HG22  ILE  23          HG22      ILE  23   5.544 -14.434   3.624
  176   HG23  ILE  23          HG23      ILE  23   5.732 -13.059   2.535
  177   HD11  ILE  23          HD11      ILE  23   4.961 -12.188   4.909
  178   HD12  ILE  23          HD12      ILE  23   5.151 -13.719   5.765
  179   HD13  ILE  23          HD13      ILE  23   3.962 -12.541   6.320
  180    H    ARG  24           H        ARG  24   1.786 -11.941   0.580
  181    HA   ARG  24           HA       ARG  24  -0.420 -11.564   0.247
  182    HB2  ARG  24           HB2      ARG  24  -0.675 -12.509   3.105
  183    HB3  ARG  24           HB1      ARG  24  -2.015 -12.304   1.987
  184    HG2  ARG  24           HG2      ARG  24   0.288 -14.206   1.607
  185    HG3  ARG  24           HG1      ARG  24  -1.314 -14.643   2.202
  186    HD2  ARG  24           HD2      ARG  24  -2.294 -13.873   0.088
  187    HD3  ARG  24           HD1      ARG  24  -0.683 -13.468  -0.504
  188    HE   ARG  24           HE       ARG  24  -0.672 -16.150   0.277
  189   HH11  ARG  24          HH11      ARG  24  -2.146 -14.124  -2.164
  190   HH12  ARG  24          HH12      ARG  24  -2.267 -15.392  -3.337
  191   HH21  ARG  24          HH21      ARG  24  -0.827 -17.839  -1.266
  192   HH22  ARG  24          HH22      ARG  24  -1.514 -17.514  -2.823
  193    H    PHE  25           H        PHE  25   1.334  -9.442   1.551
  194    HA   PHE  25           HA       PHE  25  -0.886  -7.671   2.314
  195    HB2  PHE  25           HB2      PHE  25   1.787  -7.985   3.662
  196    HB3  PHE  25           HB1      PHE  25   0.917  -6.462   3.743
  197    HD1  PHE  25           HD2      PHE  25   0.249 -10.103   4.295
  198    HD2  PHE  25           HD1      PHE  25  -0.362  -6.099   5.590
  199    HE1  PHE  25           HE2      PHE  25  -1.000 -10.929   6.245
  200    HE2  PHE  25           HE1      PHE  25  -1.607  -6.916   7.545
  201    HZ   PHE  25           HZ       PHE  25  -1.931  -9.334   7.874
  202    H    LEU  26           H        LEU  26  -0.805  -5.616   1.473
  203    HA   LEU  26           HA       LEU  26   1.388  -5.104  -0.429
  204    HB2  LEU  26           HB2      LEU  26  -1.545  -4.504  -0.574
  205    HB3  LEU  26           HB1      LEU  26  -0.404  -3.536  -1.481
  206    HG   LEU  26           HG       LEU  26   0.391  -5.668  -2.572
  207   HD11  LEU  26          HD11      LEU  26  -0.718  -7.079  -0.710
  208   HD12  LEU  26          HD12      LEU  26  -0.758  -7.663  -2.374
  209   HD13  LEU  26          HD13      LEU  26  -2.182  -6.893  -1.674
  210   HD21  LEU  26          HD21      LEU  26  -1.089  -4.095  -3.693
  211   HD22  LEU  26          HD22      LEU  26  -2.490  -4.883  -2.968
  212   HD23  LEU  26          HD23      LEU  26  -1.488  -5.757  -4.126
  213    H    TYR  27           H        TYR  27   2.427  -3.186  -0.369
  214    HA   TYR  27           HA       TYR  27   1.640  -1.315   1.773
  215    HB2  TYR  27           HB2      TYR  27   3.902  -2.566   1.877
  216    HB3  TYR  27           HB1      TYR  27   4.391  -1.525   0.546
  217    HD1  TYR  27           HD2      TYR  27   2.503  -0.903   3.715
  218    HD2  TYR  27           HD1      TYR  27   5.869   0.078   1.306
  219    HE1  TYR  27           HE2      TYR  27   3.155   0.822   5.340
  220    HE2  TYR  27           HE1      TYR  27   6.533   1.805   2.927
  221    HH   TYR  27           HH       TYR  27   4.507   2.559   5.740
  222    H    CYS  28           H        CYS  28   0.691   0.463   0.955
  223    HA   CYS  28           HA       CYS  28   1.606   1.400  -1.686
  224    HB2  CYS  28           HB2      CYS  28  -1.138   1.668  -0.453
  225    HB3  CYS  28           HB1      CYS  28  -0.649   2.334  -2.008
  226    H    CYS  29           H        CYS  29   1.953   3.539  -2.043
  227    HA   CYS  29           HA       CYS  29   1.891   5.300   0.321
  228    HB2  CYS  29           HB2      CYS  29   3.916   5.221  -1.929
  229    HB3  CYS  29           HB1      CYS  29   3.867   6.451  -0.671
  230    HA   PRO  30           HA       PRO  30  -0.737   7.701  -2.387
  231    HB2  PRO  30           HB2      PRO  30  -1.267   9.710  -0.678
  232    HB3  PRO  30           HB1      PRO  30  -1.961   8.097  -0.470
  233    HG2  PRO  30           HG2      PRO  30   0.380   9.346   0.914
  234    HG3  PRO  30           HG1      PRO  30  -0.927   8.359   1.595
  235    HD2  PRO  30           HD2      PRO  30   1.554   7.380   0.988
  236    HD3  PRO  30           HD1      PRO  30   0.082   6.392   0.994
  237    H    ARG  31           H        ARG  31   1.955   7.924  -3.011
  238    HA   ARG  31           HA       ARG  31   2.543  10.795  -2.992
  239    HB2  ARG  31           HB2      ARG  31   4.257   8.981  -2.349
  240    HB3  ARG  31           HB1      ARG  31   4.325   8.605  -4.061
  241    HG2  ARG  31           HG2      ARG  31   4.922  11.333  -2.931
  242    HG3  ARG  31           HG1      ARG  31   6.147  10.097  -3.213
  243    HD2  ARG  31           HD2      ARG  31   4.388  11.430  -5.268
  244    HD3  ARG  31           HD1      ARG  31   6.130  11.616  -5.076
  245    HE   ARG  31           HE       ARG  31   4.729   9.457  -6.381
  246   HH11  ARG  31          HH11      ARG  31   7.753  10.448  -4.908
  247   HH12  ARG  31          HH12      ARG  31   8.669   9.181  -5.649
  248   HH21  ARG  31          HH21      ARG  31   5.893   7.787  -7.330
  249   HH22  ARG  31          HH22      ARG  31   7.608   7.660  -7.047
  250    H    ARG  32           H        ARG  32   3.085   8.232  -5.389
  251    HA   ARG  32           HA       ARG  32   1.305   8.933  -7.357
  252    HB2  ARG  32           HB2      ARG  32   2.451  11.142  -7.402
  253    HB3  ARG  32           HB1      ARG  32   3.965  10.329  -7.769
  254    HG2  ARG  32           HG2      ARG  32   3.006   9.511  -9.872
  255    HG3  ARG  32           HG1      ARG  32   1.503  10.361  -9.505
  256    HD2  ARG  32           HD2      ARG  32   2.709  12.488  -9.487
  257    HD3  ARG  32           HD1      ARG  32   4.214  11.642  -9.841
  258    HE   ARG  32           HE       ARG  32   3.622  11.613 -12.035
  259   HH11  ARG  32          HH11      ARG  32   0.717  12.134 -10.151
  260   HH12  ARG  32          HH12      ARG  32  -0.298  12.363 -11.535
  261   HH21  ARG  32          HH21      ARG  32   2.289  11.924 -13.871
  262   HH22  ARG  32          HH22      ARG  32   0.599  12.244 -13.659
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1  -4.412  10.991   5.515
    2    H2   GLY   1           2HT      GLY   1  -3.465  11.192   4.125
    3    H3   GLY   1           3HT      GLY   1  -3.147  12.111   5.509
    4    HA2  GLY   1           HA1      GLY   1  -2.552  10.102   6.734
    5    HA3  GLY   1           HA2      GLY   1  -2.836   9.172   5.270
    6    H    LEU   2           H        LEU   2  -1.694  10.559   3.312
    7    HA   LEU   2           HA       LEU   2   0.234  11.101   2.263
    8    HB2  LEU   2           HB2      LEU   2   0.407  12.910   3.905
    9    HB3  LEU   2           HB1      LEU   2   1.232  11.833   5.016
   10    HG   LEU   2           HG       LEU   2   3.089  11.626   3.373
   11   HD11  LEU   2          HD11      LEU   2   3.219  12.947   1.442
   12   HD12  LEU   2          HD12      LEU   2   1.846  13.944   1.926
   13   HD13  LEU   2          HD13      LEU   2   1.588  12.275   1.417
   14   HD21  LEU   2          HD21      LEU   2   2.504  14.486   4.118
   15   HD22  LEU   2          HD22      LEU   2   4.084  13.737   3.882
   16   HD23  LEU   2          HD23      LEU   2   3.081  13.267   5.254
   17    H    LEU   3           H        LEU   3   1.134   9.533   5.342
   18    HA   LEU   3           HA       LEU   3   3.336   8.134   4.224
   19    HB2  LEU   3           HB2      LEU   3   1.793   7.819   6.787
   20    HB3  LEU   3           HB1      LEU   3   3.099   6.734   6.360
   21    HG   LEU   3           HG       LEU   3   4.585   8.794   6.202
   22   HD11  LEU   3          HD11      LEU   3   2.288  10.050   7.694
   23   HD12  LEU   3          HD12      LEU   3   2.809  10.471   6.063
   24   HD13  LEU   3          HD13      LEU   3   3.878  10.765   7.434
   25   HD21  LEU   3          HD21      LEU   3   5.301   8.166   8.206
   26   HD22  LEU   3          HD22      LEU   3   3.848   7.175   8.342
   27   HD23  LEU   3          HD23      LEU   3   3.861   8.816   8.991
   28    H    CYS   4           H        CYS   4   3.541   6.012   3.607
   29    HA   CYS   4           HA       CYS   4   1.355   4.833   2.283
   30    HB2  CYS   4           HB2      CYS   4   3.889   3.404   3.063
   31    HB3  CYS   4           HB1      CYS   4   2.853   3.091   1.678
   32    H    TYR   5           H        TYR   5   0.429   2.716   2.668
   33    HA   TYR   5           HA       TYR   5   0.468   1.905   5.484
   34    HB2  TYR   5           HB2      TYR   5  -2.034   1.497   5.271
   35    HB3  TYR   5           HB1      TYR   5  -1.512   3.169   5.395
   36    HD1  TYR   5           HD2      TYR   5  -2.171   0.652   2.692
   37    HD2  TYR   5           HD1      TYR   5  -2.579   4.671   4.020
   38    HE1  TYR   5           HE2      TYR   5  -3.448   1.185   0.664
   39    HE2  TYR   5           HE1      TYR   5  -3.865   5.213   1.995
   40    HH   TYR   5           HH       TYR   5  -4.521   4.481  -0.022
   41    H    CYS   6           H        CYS   6   0.264  -0.171   5.955
   42    HA   CYS   6           HA       CYS   6   0.734  -2.037   3.792
   43    HB2  CYS   6           HB2      CYS   6   2.091  -2.084   5.883
   44    HB3  CYS   6           HB1      CYS   6   0.638  -2.498   6.782
   45    H    ARG   7           H        ARG   7  -0.833  -3.384   2.985
   46    HA   ARG   7           HA       ARG   7  -3.283  -3.716   4.592
   47    HB2  ARG   7           HB2      ARG   7  -3.254  -3.264   1.603
   48    HB3  ARG   7           HB1      ARG   7  -4.672  -3.458   2.622
   49    HG2  ARG   7           HG2      ARG   7  -2.743  -1.147   2.638
   50    HG3  ARG   7           HG1      ARG   7  -4.397  -1.145   2.030
   51    HD2  ARG   7           HD2      ARG   7  -3.543  -1.555   4.895
   52    HD3  ARG   7           HD1      ARG   7  -4.271  -0.098   4.223
   53    HE   ARG   7           HE       ARG   7  -6.079  -2.069   3.673
   54   HH11  ARG   7          HH11      ARG   7  -4.506  -0.928   6.576
   55   HH12  ARG   7          HH12      ARG   7  -5.855  -1.268   7.608
   56   HH21  ARG   7          HH21      ARG   7  -7.877  -2.536   5.033
   57   HH22  ARG   7          HH22      ARG   7  -7.778  -2.191   6.728
   58    H    LYS   8           H        LYS   8  -4.148  -5.719   4.613
   59    HA   LYS   8           HA       LYS   8  -2.624  -7.897   3.621
   60    HB2  LYS   8           HB2      LYS   8  -3.849  -8.265   5.632
   61    HB3  LYS   8           HB1      LYS   8  -5.353  -7.733   4.897
   62    HG2  LYS   8           HG2      LYS   8  -5.495 -10.076   5.058
   63    HG3  LYS   8           HG1      LYS   8  -5.165  -9.730   3.360
   64    HD2  LYS   8           HD2      LYS   8  -2.654 -10.000   4.217
   65    HD3  LYS   8           HD1      LYS   8  -3.457 -11.022   5.411
   66    HE2  LYS   8           HE2      LYS   8  -2.878 -12.479   3.666
   67    HE3  LYS   8           HE1      LYS   8  -4.595 -12.154   3.431
   68    HZ1  LYS   8           HZ1      LYS   8  -3.654 -11.935   1.323
   69    HZ2  LYS   8           HZ2      LYS   8  -2.297 -11.099   1.897
   70    HZ3  LYS   8           HZ3      LYS   8  -3.807 -10.332   1.851
   71    H    GLY   9           H        GLY   9  -5.488  -6.224   2.564
   72    HA2  GLY   9           HA2      GLY   9  -6.084  -8.071   0.438
   73    HA3  GLY   9           HA1      GLY   9  -6.847  -6.509   0.707
   74    H    HIS  10           H        HIS  10  -5.864  -4.632  -0.107
   75    HA   HIS  10           HA       HIS  10  -3.448  -4.457  -1.442
   76    HB2  HIS  10           HB2      HIS  10  -4.213  -4.329  -3.830
   77    HB3  HIS  10           HB1      HIS  10  -4.207  -5.949  -3.156
   78    HD1  HIS  10           HD1      HIS  10  -6.682  -6.836  -2.408
   79    HD2  HIS  10           HD2      HIS  10  -6.535  -3.620  -5.034
   80    HE1  HIS  10           HE1      HIS  10  -8.967  -6.712  -3.444
   81    H    CYS  11           H        CYS  11  -3.252  -2.497  -0.631
   82    HA   CYS  11           HA       CYS  11  -3.512  -0.274  -0.271
   83    HB2  CYS  11           HB2      CYS  11  -5.052  -0.217  -2.862
   84    HB3  CYS  11           HB1      CYS  11  -4.088   1.067  -2.147
   85    H    LYS  12           H        LYS  12  -5.656   1.424  -1.130
   86    HA   LYS  12           HA       LYS  12  -8.071   0.375   0.093
   87    HB2  LYS  12           HB2      LYS  12  -6.192   2.069   1.523
   88    HB3  LYS  12           HB1      LYS  12  -7.768   2.836   1.387
   89    HG2  LYS  12           HG2      LYS  12  -7.368   0.041   2.423
   90    HG3  LYS  12           HG1      LYS  12  -7.411   1.473   3.453
   91    HD2  LYS  12           HD2      LYS  12  -9.628   0.612   1.592
   92    HD3  LYS  12           HD1      LYS  12  -9.591   0.301   3.329
   93    HE2  LYS  12           HE2      LYS  12  -9.539   2.715   3.754
   94    HE3  LYS  12           HE1      LYS  12  -9.579   3.021   2.018
   95    HZ1  LYS  12           HZ1      LYS  12 -11.722   2.327   3.813
   96    HZ2  LYS  12           HZ2      LYS  12 -11.720   1.423   2.384
   97    HZ3  LYS  12           HZ3      LYS  12 -11.777   3.111   2.314
   98    H    ARG  13           H        ARG  13  -7.520   1.128  -2.513
   99    HA   ARG  13           HA       ARG  13  -8.497   2.212  -4.248
  100    HB2  ARG  13           HB2      ARG  13 -10.165   3.417  -2.051
  101    HB3  ARG  13           HB1      ARG  13 -10.336   3.924  -3.723
  102    HG2  ARG  13           HG2      ARG  13 -10.712   1.117  -2.700
  103    HG3  ARG  13           HG1      ARG  13 -12.004   2.255  -3.091
  104    HD2  ARG  13           HD2      ARG  13 -11.071   2.359  -5.420
  105    HD3  ARG  13           HD1      ARG  13  -9.989   1.042  -4.979
  106    HE   ARG  13           HE       ARG  13 -12.713   0.826  -5.715
  107   HH11  ARG  13          HH11      ARG  13 -10.334  -0.594  -3.573
  108   HH12  ARG  13          HH12      ARG  13 -11.163  -2.109  -3.446
  109   HH21  ARG  13          HH21      ARG  13 -13.805  -1.176  -5.560
  110   HH22  ARG  13          HH22      ARG  13 -13.139  -2.443  -4.584
  111    H    GLY  14           H        GLY  14  -8.104   4.566  -1.594
  112    HA2  GLY  14           HA2      GLY  14  -7.034   6.529  -3.448
  113    HA3  GLY  14           HA1      GLY  14  -7.295   6.750  -1.722
  114    H    GLY  15           H        GLY  15  -5.430   4.336  -3.538
  115    HA2  GLY  15           HA2      GLY  15  -2.908   5.433  -2.714
  116    HA3  GLY  15           HA1      GLY  15  -3.367   4.005  -1.794
  117    H    ARG  16           H        ARG  16  -1.220   4.581  -3.823
  118    HA   ARG  16           HA       ARG  16  -1.897   2.537  -5.810
  119    HB2  ARG  16           HB2      ARG  16  -1.085   4.743  -6.643
  120    HB3  ARG  16           HB1      ARG  16   0.426   4.479  -5.785
  121    HG2  ARG  16           HG2      ARG  16   0.646   3.968  -8.154
  122    HG3  ARG  16           HG1      ARG  16   0.885   2.525  -7.165
  123    HD2  ARG  16           HD2      ARG  16  -0.491   2.024  -9.111
  124    HD3  ARG  16           HD1      ARG  16  -1.414   1.829  -7.622
  125    HE   ARG  16           HE       ARG  16  -1.773   4.434  -8.657
  126   HH11  ARG  16          HH11      ARG  16  -2.694   1.111  -9.238
  127   HH12  ARG  16          HH12      ARG  16  -4.177   1.520 -10.034
  128   HH21  ARG  16          HH21      ARG  16  -3.731   4.988  -9.717
  129   HH22  ARG  16          HH22      ARG  16  -4.768   3.733 -10.310
  130    H    VAL  17           H        VAL  17  -0.848   0.643  -5.830
  131    HA   VAL  17           HA       VAL  17   0.443  -0.301  -3.562
  132    HB   VAL  17           HB       VAL  17  -0.601  -1.872  -5.021
  133   HG11  VAL  17          HG11      VAL  17   0.414  -2.414  -7.260
  134   HG12  VAL  17          HG21      VAL  17   1.346  -0.925  -7.108
  135   HG13  VAL  17          3HG1      VAL  17  -0.416  -0.861  -7.158
  136   HG21  VAL  17          HG12      VAL  17   2.237  -2.134  -4.386
  137   HG22  VAL  17          HG22      VAL  17   1.678  -3.227  -5.652
  138   HG23  VAL  17          HG23      VAL  17   0.894  -3.234  -4.073
  139    H    ARG  18           H        ARG  18   2.395  -0.185  -2.827
  140    HA   ARG  18           HA       ARG  18   4.466   1.094  -4.438
  141    HB2  ARG  18           HB2      ARG  18   3.888   1.938  -2.136
  142    HB3  ARG  18           HB1      ARG  18   4.500   0.421  -1.489
  143    HG2  ARG  18           HG2      ARG  18   6.159   2.184  -1.316
  144    HG3  ARG  18           HG1      ARG  18   6.704   0.910  -2.411
  145    HD2  ARG  18           HD2      ARG  18   5.856   2.302  -4.310
  146    HD3  ARG  18           HD1      ARG  18   5.560   3.596  -3.151
  147    HE   ARG  18           HE       ARG  18   7.778   4.086  -3.216
  148   HH11  ARG  18          HH11      ARG  18   7.377   0.787  -4.354
  149   HH12  ARG  18          HH12      ARG  18   9.057   0.583  -4.727
  150   HH21  ARG  18          HH21      ARG  18   9.997   3.806  -3.706
  151   HH22  ARG  18          HH22      ARG  18  10.548   2.299  -4.357
  152    H    GLY  19           H        GLY  19   3.564  -1.904  -2.973
  153    HA2  GLY  19           HA2      GLY  19   5.020  -3.631  -4.423
  154    HA3  GLY  19           HA1      GLY  19   6.200  -3.092  -3.236
  155    H    THR  20           H        THR  20   6.304  -5.252  -2.432
  156    HA   THR  20           HA       THR  20   3.920  -6.359  -1.208
  157    HB   THR  20           HB       THR  20   5.566  -8.188  -0.504
  158    HG1  THR  20           HG1      THR  20   7.459  -6.857  -0.862
  159   HG21  THR  20          HG12      THR  20   4.318  -7.618  -3.019
  160   HG22  THR  20          HG22      THR  20   4.602  -9.179  -2.252
  161   HG23  THR  20          HG23      THR  20   5.833  -8.475  -3.300
  162    H    CYS  21           H        CYS  21   3.513  -6.487   0.930
  163    HA   CYS  21           HA       CYS  21   5.315  -4.997   2.713
  164    HB2  CYS  21           HB2      CYS  21   2.968  -4.182   2.512
  165    HB3  CYS  21           HB1      CYS  21   2.410  -5.728   3.145
  166    H    GLY  22           H        GLY  22   6.235  -7.447   2.147
  167    HA2  GLY  22           HA2      GLY  22   7.225  -9.024   3.620
  168    HA3  GLY  22           HA1      GLY  22   5.839  -8.853   4.685
  169    H    ILE  23           H        ILE  23   5.229 -10.959   4.836
  170    HA   ILE  23           HA       ILE  23   4.981 -12.581   2.451
  171    HB   ILE  23           HB       ILE  23   4.271 -13.284   5.302
  172   HG12  ILE  23          HG21      ILE  23   6.794 -13.877   3.736
  173   HG13  ILE  23          HG11      ILE  23   6.659 -12.681   5.019
  174   HG21  ILE  23          HG12      ILE  23   4.211 -15.549   4.602
  175   HG22  ILE  23          HG22      ILE  23   4.861 -15.147   3.013
  176   HG23  ILE  23          HG23      ILE  23   3.228 -14.642   3.452
  177   HD11  ILE  23          HD11      ILE  23   7.259 -15.437   5.224
  178   HD12  ILE  23          HD12      ILE  23   5.718 -15.152   6.034
  179   HD13  ILE  23          HD13      ILE  23   7.148 -14.235   6.508
  180    H    ARG  24           H        ARG  24   3.273 -12.411   1.213
  181    HA   ARG  24           HA       ARG  24   1.145 -12.295   0.445
  182    HB2  ARG  24           HB2      ARG  24   0.455 -13.315   3.204
  183    HB3  ARG  24           HB1      ARG  24  -0.619 -13.329   1.812
  184    HG2  ARG  24           HG2      ARG  24   0.742 -14.920   0.679
  185    HG3  ARG  24           HG1      ARG  24   2.022 -14.767   1.885
  186    HD2  ARG  24           HD2      ARG  24  -0.746 -15.876   2.347
  187    HD3  ARG  24           HD1      ARG  24   0.745 -16.811   2.235
  188    HE   ARG  24           HE       ARG  24   1.016 -14.876   4.261
  189   HH11  ARG  24          HH11      ARG  24  -0.683 -17.860   3.591
  190   HH12  ARG  24          HH12      ARG  24  -0.820 -18.312   5.256
  191   HH21  ARG  24          HH21      ARG  24   0.838 -15.463   6.469
  192   HH22  ARG  24          HH22      ARG  24   0.048 -16.944   6.900
  193    H    PHE  25           H        PHE  25   2.217  -9.895   1.594
  194    HA   PHE  25           HA       PHE  25  -0.311  -8.555   2.253
  195    HB2  PHE  25           HB2      PHE  25   2.220  -8.521   3.799
  196    HB3  PHE  25           HB1      PHE  25   1.424  -6.968   3.580
  197    HD1  PHE  25           HD2      PHE  25   0.702 -10.461   4.676
  198    HD2  PHE  25           HD1      PHE  25  -0.207  -6.322   5.049
  199    HE1  PHE  25           HE2      PHE  25  -0.818 -10.966   6.545
  200    HE2  PHE  25           HE1      PHE  25  -1.724  -6.818   6.919
  201    HZ   PHE  25           HZ       PHE  25  -2.039  -9.142   7.665
  202    H    LEU  26           H        LEU  26  -0.525  -6.455   1.420
  203    HA   LEU  26           HA       LEU  26   1.536  -5.756  -0.563
  204    HB2  LEU  26           HB2      LEU  26  -1.447  -5.387  -0.622
  205    HB3  LEU  26           HB1      LEU  26  -0.385  -4.465  -1.666
  206    HG   LEU  26           HG       LEU  26   0.501  -6.735  -2.477
  207   HD11  LEU  26          HD11      LEU  26  -0.645  -7.965  -0.573
  208   HD12  LEU  26          HD12      LEU  26  -0.814  -8.655  -2.187
  209   HD13  LEU  26          HD13      LEU  26  -2.143  -7.741  -1.476
  210   HD21  LEU  26          HD21      LEU  26  -0.854  -5.272  -3.850
  211   HD22  LEU  26          HD22      LEU  26  -2.323  -5.889  -3.093
  212   HD23  LEU  26          HD23      LEU  26  -1.332  -6.953  -4.091
  213    H    TYR  27           H        TYR  27   2.441  -3.829  -0.519
  214    HA   TYR  27           HA       TYR  27   1.626  -1.967   1.608
  215    HB2  TYR  27           HB2      TYR  27   4.003  -2.972   1.442
  216    HB3  TYR  27           HB1      TYR  27   4.216  -1.910   0.057
  217    HD1  TYR  27           HD1      TYR  27   2.601  -1.371   3.381
  218    HD2  TYR  27           HD2      TYR  27   5.663  -0.219   0.663
  219    HE1  TYR  27           HE1      TYR  27   3.262   0.441   4.904
  220    HE2  TYR  27           HE2      TYR  27   6.335   1.596   2.178
  221    HH   TYR  27           HH       TYR  27   6.069   1.948   4.864
  222    H    CYS  28           H        CYS  28   0.741  -0.028   1.017
  223    HA   CYS  28           HA       CYS  28   1.198   0.887  -1.743
  224    HB2  CYS  28           HB2      CYS  28  -1.498   0.942  -0.380
  225    HB3  CYS  28           HB1      CYS  28  -1.127   1.471  -2.017
  226    H    CYS  29           H        CYS  29   1.165   3.088  -2.070
  227    HA   CYS  29           HA       CYS  29   1.189   4.717   0.384
  228    HB2  CYS  29           HB2      CYS  29   2.571   5.239  -2.260
  229    HB3  CYS  29           HB1      CYS  29   2.673   6.256  -0.826
  230    HA   PRO  30           HA       PRO  30  -2.395   6.644  -1.406
  231    HB2  PRO  30           HB2      PRO  30  -2.816   8.507   0.483
  232    HB3  PRO  30           HB1      PRO  30  -3.099   6.790   0.791
  233    HG2  PRO  30           HG2      PRO  30  -0.773   8.497   1.569
  234    HG3  PRO  30           HG1      PRO  30  -1.610   7.251   2.509
  235    HD2  PRO  30           HD2      PRO  30   0.760   6.851   1.177
  236    HD3  PRO  30           HD1      PRO  30  -0.390   5.561   1.573
  237    H    ARG  31           H        ARG  31  -2.757   9.476  -0.711
  238    HA   ARG  31           HA       ARG  31  -0.614  11.008  -1.761
  239    HB2  ARG  31           HB2      ARG  31  -1.603  11.742  -3.859
  240    HB3  ARG  31           HB1      ARG  31  -1.371  10.004  -3.886
  241    HG2  ARG  31           HG2      ARG  31  -4.018  11.239  -3.199
  242    HG3  ARG  31           HG1      ARG  31  -3.530  10.930  -4.864
  243    HD2  ARG  31           HD2      ARG  31  -3.193   8.544  -4.263
  244    HD3  ARG  31           HD1      ARG  31  -3.823   8.897  -2.655
  245    HE   ARG  31           HE       ARG  31  -5.329   8.447  -5.016
  246   HH11  ARG  31          HH11      ARG  31  -5.345  10.319  -2.057
  247   HH12  ARG  31          HH12      ARG  31  -7.063  10.524  -2.042
  248   HH21  ARG  31          HH21      ARG  31  -7.599   8.714  -5.003
  249   HH22  ARG  31          HH22      ARG  31  -8.350   9.609  -3.724
  250    H    ARG  32           H        ARG  32  -2.332  10.938   0.484
  251    HA   ARG  32           HA       ARG  32  -2.885  13.632   0.861
  252    HB2  ARG  32           HB2      ARG  32  -4.781  13.179  -0.718
  253    HB3  ARG  32           HB1      ARG  32  -5.397  11.989   0.421
  254    HG2  ARG  32           HG2      ARG  32  -5.762  13.703   2.079
  255    HG3  ARG  32           HG1      ARG  32  -5.030  14.916   1.027
  256    HD2  ARG  32           HD2      ARG  32  -6.808  14.591  -0.606
  257    HD3  ARG  32           HD1      ARG  32  -7.528  13.342   0.409
  258    HE   ARG  32           HE       ARG  32  -8.547  14.990   1.587
  259   HH11  ARG  32          HH11      ARG  32  -5.733  16.397   0.042
  260   HH12  ARG  32          HH12      ARG  32  -6.054  17.996   0.621
  261   HH21  ARG  32          HH21      ARG  32  -8.977  17.106   2.350
  262   HH22  ARG  32          HH22      ARG  32  -7.903  18.400   1.937
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1   1.707  11.978  -0.647
    2    H2   GLY   1           2HT      GLY   1   1.576  10.981   0.714
    3    H3   GLY   1           3HT      GLY   1   2.263  10.379  -0.705
    4    HA2  GLY   1           HA1      GLY   1   4.172  11.734  -0.490
    5    HA3  GLY   1           HA2      GLY   1   3.419  12.641   0.817
    6    H    LEU   2           H        LEU   2   4.763  12.220   2.485
    7    HA   LEU   2           HA       LEU   2   5.822   9.601   2.982
    8    HB2  LEU   2           HB2      LEU   2   6.804  10.605   5.000
    9    HB3  LEU   2           HB1      LEU   2   7.168  11.517   3.552
   10    HG   LEU   2           HG       LEU   2   4.903  12.354   5.341
   11   HD11  LEU   2          HD11      LEU   2   6.262  13.449   6.819
   12   HD12  LEU   2          HD12      LEU   2   7.606  13.550   5.680
   13   HD13  LEU   2          HD13      LEU   2   7.249  12.025   6.492
   14   HD21  LEU   2          HD21      LEU   2   6.748  13.856   3.482
   15   HD22  LEU   2          HD22      LEU   2   5.450  14.570   4.437
   16   HD23  LEU   2          HD23      LEU   2   5.071  13.421   3.155
   17    H    LEU   3           H        LEU   3   3.429   8.860   2.917
   18    HA   LEU   3           HA       LEU   3   2.708   8.224   5.631
   19    HB2  LEU   3           HB2      LEU   3   0.222   8.900   4.935
   20    HB3  LEU   3           HB1      LEU   3   1.300   9.984   5.791
   21    HG   LEU   3           HG       LEU   3   1.913  10.975   3.541
   22   HD11  LEU   3          HD11      LEU   3   1.178  10.035   1.682
   23   HD12  LEU   3          HD12      LEU   3  -0.482  10.358   2.179
   24   HD13  LEU   3          HD13      LEU   3   0.289   8.833   2.618
   25   HD21  LEU   3          HD21      LEU   3  -0.434  11.333   5.160
   26   HD22  LEU   3          HD22      LEU   3  -0.772  11.750   3.480
   27   HD23  LEU   3          HD23      LEU   3   0.555  12.538   4.333
   28    H    CYS   4           H        CYS   4   3.680   6.496   3.935
   29    HA   CYS   4           HA       CYS   4   1.744   5.171   2.306
   30    HB2  CYS   4           HB2      CYS   4   4.310   4.025   3.404
   31    HB3  CYS   4           HB1      CYS   4   3.419   3.476   1.993
   32    H    TYR   5           H        TYR   5   0.995   2.935   2.704
   33    HA   TYR   5           HA       TYR   5   0.953   2.150   5.502
   34    HB2  TYR   5           HB2      TYR   5  -1.562   1.818   5.385
   35    HB3  TYR   5           HB1      TYR   5  -0.977   3.464   5.565
   36    HD1  TYR   5           HD2      TYR   5  -1.692   1.179   2.662
   37    HD2  TYR   5           HD1      TYR   5  -2.239   4.999   4.447
   38    HE1  TYR   5           HE2      TYR   5  -3.080   1.864   0.753
   39    HE2  TYR   5           HE1      TYR   5  -3.637   5.692   2.548
   40    HH   TYR   5           HH       TYR   5  -4.014   3.686  -0.308
   41    H    CYS   6           H        CYS   6   0.678   0.103   5.945
   42    HA   CYS   6           HA       CYS   6   0.927  -1.769   3.735
   43    HB2  CYS   6           HB2      CYS   6   2.527  -1.979   5.550
   44    HB3  CYS   6           HB1      CYS   6   1.228  -2.075   6.730
   45    H    ARG   7           H        ARG   7  -0.787  -2.988   3.077
   46    HA   ARG   7           HA       ARG   7  -3.038  -3.296   4.953
   47    HB2  ARG   7           HB2      ARG   7  -3.325  -2.719   2.001
   48    HB3  ARG   7           HB1      ARG   7  -4.631  -2.930   3.156
   49    HG2  ARG   7           HG2      ARG   7  -2.637  -0.674   3.090
   50    HG3  ARG   7           HG1      ARG   7  -4.343  -0.593   2.649
   51    HD2  ARG   7           HD2      ARG   7  -3.212  -1.159   5.387
   52    HD3  ARG   7           HD1      ARG   7  -4.000   0.327   4.865
   53    HE   ARG   7           HE       ARG   7  -5.796  -1.755   4.437
   54   HH11  ARG   7          HH11      ARG   7  -4.177  -0.241   7.137
   55   HH12  ARG   7          HH12      ARG   7  -5.456  -0.562   8.260
   56   HH21  ARG   7          HH21      ARG   7  -7.491  -2.209   5.918
   57   HH22  ARG   7          HH22      ARG   7  -7.346  -1.691   7.566
   58    H    LYS   8           H        LYS   8  -3.975  -5.250   5.008
   59    HA   LYS   8           HA       LYS   8  -2.647  -7.462   3.851
   60    HB2  LYS   8           HB2      LYS   8  -3.652  -7.636   6.049
   61    HB3  LYS   8           HB1      LYS   8  -5.237  -7.256   5.394
   62    HG2  LYS   8           HG2      LYS   8  -5.151  -9.348   4.077
   63    HG3  LYS   8           HG1      LYS   8  -3.616  -9.736   4.859
   64    HD2  LYS   8           HD2      LYS   8  -4.709  -9.727   7.037
   65    HD3  LYS   8           HD1      LYS   8  -6.242  -9.293   6.278
   66    HE2  LYS   8           HE2      LYS   8  -6.182 -11.400   5.006
   67    HE3  LYS   8           HE1      LYS   8  -4.683 -11.836   5.825
   68    HZ1  LYS   8           HZ1      LYS   8  -5.759 -12.240   7.778
   69    HZ2  LYS   8           HZ2      LYS   8  -6.988 -12.666   6.698
   70    HZ3  LYS   8           HZ3      LYS   8  -7.018 -11.157   7.459
   71    H    GLY   9           H        GLY   9  -3.016  -8.455   2.040
   72    HA2  GLY   9           HA2      GLY   9  -4.096  -9.298   0.185
   73    HA3  GLY   9           HA1      GLY   9  -5.600  -8.649   0.814
   74    H    HIS  10           H        HIS  10  -5.216  -5.984   0.888
   75    HA   HIS  10           HA       HIS  10  -3.947  -4.909  -1.412
   76    HB2  HIS  10           HB2      HIS  10  -5.879  -4.324  -2.759
   77    HB3  HIS  10           HB1      HIS  10  -5.837  -6.069  -2.542
   78    HD1  HIS  10           HD1      HIS  10  -7.446  -6.821  -0.333
   79    HD2  HIS  10           HD2      HIS  10  -8.353  -3.328  -2.395
   80    HE1  HIS  10           HE1      HIS  10  -9.842  -6.313   0.229
   81    H    CYS  11           H        CYS  11  -3.992  -2.669  -1.431
   82    HA   CYS  11           HA       CYS  11  -4.485  -1.438   1.058
   83    HB2  CYS  11           HB2      CYS  11  -3.836  -0.235  -1.641
   84    HB3  CYS  11           HB1      CYS  11  -3.841   0.655  -0.116
   85    H    LYS  12           H        LYS  12  -6.034  -0.016   1.720
   86    HA   LYS  12           HA       LYS  12  -8.638  -0.431   0.764
   87    HB2  LYS  12           HB2      LYS  12  -8.978   1.760   2.299
   88    HB3  LYS  12           HB1      LYS  12  -8.836   0.131   2.935
   89    HG2  LYS  12           HG2      LYS  12  -7.463   1.608   4.229
   90    HG3  LYS  12           HG1      LYS  12  -6.425   0.521   3.309
   91    HD2  LYS  12           HD2      LYS  12  -5.504   2.744   3.243
   92    HD3  LYS  12           HD1      LYS  12  -6.093   2.316   1.639
   93    HE2  LYS  12           HE2      LYS  12  -8.179   3.582   2.138
   94    HE3  LYS  12           HE1      LYS  12  -7.447   4.103   3.655
   95    HZ1  LYS  12           HZ1      LYS  12  -6.192   5.611   2.609
   96    HZ2  LYS  12           HZ2      LYS  12  -7.251   5.418   1.306
   97    HZ3  LYS  12           HZ3      LYS  12  -5.788   4.565   1.338
   98    H    ARG  13           H        ARG  13  -9.849   0.519  -0.666
   99    HA   ARG  13           HA       ARG  13 -10.680   1.912  -2.225
  100    HB2  ARG  13           HB2      ARG  13  -9.010   3.953  -0.766
  101    HB3  ARG  13           HB1      ARG  13 -10.040   4.358  -2.133
  102    HG2  ARG  13           HG2      ARG  13 -10.942   3.164   0.483
  103    HG3  ARG  13           HG1      ARG  13 -11.164   4.835  -0.040
  104    HD2  ARG  13           HD2      ARG  13 -12.310   2.401  -1.409
  105    HD3  ARG  13           HD1      ARG  13 -13.199   3.486  -0.341
  106    HE   ARG  13           HE       ARG  13 -12.548   3.915  -3.098
  107   HH11  ARG  13          HH11      ARG  13 -13.300   5.513  -0.072
  108   HH12  ARG  13          HH12      ARG  13 -13.769   7.000  -0.823
  109   HH21  ARG  13          HH21      ARG  13 -13.174   5.874  -4.096
  110   HH22  ARG  13          HH22      ARG  13 -13.700   7.205  -3.120
  111    H    GLY  14           H        GLY  14  -7.189   2.543  -1.852
  112    HA2  GLY  14           HA2      GLY  14  -6.340   1.452  -4.197
  113    HA3  GLY  14           HA1      GLY  14  -6.869   3.065  -4.655
  114    H    GLY  15           H        GLY  15  -4.903   3.902  -5.148
  115    HA2  GLY  15           HA2      GLY  15  -3.301   5.422  -4.049
  116    HA3  GLY  15           HA1      GLY  15  -3.000   4.118  -2.903
  117    H    ARG  16           H        ARG  16  -0.845   5.170  -4.165
  118    HA   ARG  16           HA       ARG  16  -0.284   3.527  -6.488
  119    HB2  ARG  16           HB2      ARG  16   0.569   5.740  -6.666
  120    HB3  ARG  16           HB1      ARG  16   1.268   5.681  -5.054
  121    HG2  ARG  16           HG2      ARG  16   2.958   5.532  -6.829
  122    HG3  ARG  16           HG1      ARG  16   2.941   4.108  -5.788
  123    HD2  ARG  16           HD2      ARG  16   1.440   3.035  -7.538
  124    HD3  ARG  16           HD1      ARG  16   1.875   4.383  -8.587
  125    HE   ARG  16           HE       ARG  16   3.504   2.126  -7.891
  126   HH11  ARG  16          HH11      ARG  16   3.569   5.465  -8.944
  127   HH12  ARG  16          HH12      ARG  16   5.175   5.369  -9.582
  128   HH21  ARG  16          HH21      ARG  16   5.625   1.992  -8.726
  129   HH22  ARG  16          HH22      ARG  16   6.349   3.384  -9.460
  130    H    VAL  17           H        VAL  17   0.331   1.521  -6.208
  131    HA   VAL  17           HA       VAL  17   1.168   0.436  -3.753
  132    HB   VAL  17           HB       VAL  17   1.681  -0.768  -6.475
  133   HG11  VAL  17          HG11      VAL  17   0.962  -2.676  -4.512
  134   HG12  VAL  17          HG21      VAL  17   2.222  -1.647  -3.830
  135   HG13  VAL  17          3HG1      VAL  17   2.502  -2.492  -5.352
  136   HG21  VAL  17          HG12      VAL  17  -0.812  -0.796  -4.789
  137   HG22  VAL  17          HG22      VAL  17  -0.505  -1.950  -6.086
  138   HG23  VAL  17          HG23      VAL  17  -0.634  -0.230  -6.450
  139    H    ARG  18           H        ARG  18   3.045   0.455  -2.803
  140    HA   ARG  18           HA       ARG  18   5.373   1.538  -4.175
  141    HB2  ARG  18           HB2      ARG  18   4.617   2.291  -1.880
  142    HB3  ARG  18           HB1      ARG  18   5.080   0.704  -1.285
  143    HG2  ARG  18           HG2      ARG  18   7.393   1.140  -2.021
  144    HG3  ARG  18           HG1      ARG  18   6.899   2.766  -2.508
  145    HD2  ARG  18           HD2      ARG  18   6.116   3.147  -0.174
  146    HD3  ARG  18           HD1      ARG  18   6.817   1.590   0.264
  147    HE   ARG  18           HE       ARG  18   8.898   2.543   0.236
  148   HH11  ARG  18          HH11      ARG  18   6.613   4.747  -1.230
  149   HH12  ARG  18          HH12      ARG  18   7.767   6.025  -1.422
  150   HH21  ARG  18          HH21      ARG  18  10.432   4.230  -0.006
  151   HH22  ARG  18          HH22      ARG  18   9.946   5.730  -0.720
  152    H    GLY  19           H        GLY  19   4.173  -1.376  -2.678
  153    HA2  GLY  19           HA2      GLY  19   5.563  -3.197  -4.175
  154    HA3  GLY  19           HA1      GLY  19   6.630  -2.834  -2.825
  155    H    THR  20           H        THR  20   6.265  -5.188  -2.444
  156    HA   THR  20           HA       THR  20   3.677  -5.891  -1.348
  157    HB   THR  20           HB       THR  20   4.892  -8.093  -0.853
  158    HG1  THR  20           HG1      THR  20   7.026  -7.094  -1.094
  159   HG21  THR  20          HG12      THR  20   4.892  -8.717  -3.318
  160   HG22  THR  20          HG22      THR  20   4.485  -7.032  -3.643
  161   HG23  THR  20          HG23      THR  20   3.394  -8.034  -2.686
  162    H    CYS  21           H        CYS  21   3.201  -6.160   0.771
  163    HA   CYS  21           HA       CYS  21   5.213  -5.232   2.698
  164    HB2  CYS  21           HB2      CYS  21   2.988  -4.083   2.607
  165    HB3  CYS  21           HB1      CYS  21   2.239  -5.593   3.113
  166    H    GLY  22           H        GLY  22   5.584  -7.766   1.682
  167    HA2  GLY  22           HA2      GLY  22   6.368  -9.673   2.887
  168    HA3  GLY  22           HA1      GLY  22   5.090  -9.407   4.066
  169    H    ILE  23           H        ILE  23   4.165 -11.430   3.951
  170    HA   ILE  23           HA       ILE  23   3.368 -12.459   1.352
  171    HB   ILE  23           HB       ILE  23   4.330 -14.085   2.811
  172   HG12  ILE  23          HG21      ILE  23   1.335 -14.515   2.729
  173   HG13  ILE  23          HG11      ILE  23   2.446 -14.840   1.404
  174   HG21  ILE  23          HG12      ILE  23   4.039 -13.129   4.961
  175   HG22  ILE  23          HG22      ILE  23   3.221 -14.692   4.979
  176   HG23  ILE  23          HG23      ILE  23   2.281 -13.207   4.831
  177   HD11  ILE  23          HD11      ILE  23   3.490 -16.246   3.559
  178   HD12  ILE  23          HD12      ILE  23   2.607 -16.905   2.181
  179   HD13  ILE  23          HD13      ILE  23   1.745 -16.480   3.661
  180    H    ARG  24           H        ARG  24   1.505 -11.997   0.481
  181    HA   ARG  24           HA       ARG  24  -0.673 -11.477   0.139
  182    HB2  ARG  24           HB2      ARG  24  -1.002 -12.649   2.903
  183    HB3  ARG  24           HB1      ARG  24  -2.334 -12.234   1.834
  184    HG2  ARG  24           HG2      ARG  24  -1.724 -13.903   0.273
  185    HG3  ARG  24           HG1      ARG  24  -0.169 -14.170   1.064
  186    HD2  ARG  24           HD2      ARG  24  -2.884 -14.766   2.238
  187    HD3  ARG  24           HD1      ARG  24  -1.756 -15.955   1.585
  188    HE   ARG  24           HE       ARG  24  -0.519 -14.412   3.618
  189   HH11  ARG  24          HH11      ARG  24  -2.823 -17.002   3.147
  190   HH12  ARG  24          HH12      ARG  24  -2.537 -17.719   4.696
  191   HH21  ARG  24          HH21      ARG  24  -0.142 -15.342   5.676
  192   HH22  ARG  24          HH22      ARG  24  -1.006 -16.769   6.144
  193    H    PHE  25           H        PHE  25   1.081  -9.477   1.215
  194    HA   PHE  25           HA       PHE  25  -0.946  -7.651   2.281
  195    HB2  PHE  25           HB2      PHE  25   1.741  -8.245   3.477
  196    HB3  PHE  25           HB1      PHE  25   1.091  -6.617   3.595
  197    HD1  PHE  25           HD2      PHE  25   0.018 -10.148   4.223
  198    HD2  PHE  25           HD1      PHE  25  -0.097  -6.080   5.461
  199    HE1  PHE  25           HE2      PHE  25  -1.247 -10.798   6.229
  200    HE2  PHE  25           HE1      PHE  25  -1.356  -6.723   7.473
  201    HZ   PHE  25           HZ       PHE  25  -1.939  -9.084   7.858
  202    H    LEU  26           H        LEU  26  -0.838  -5.612   1.420
  203    HA   LEU  26           HA       LEU  26   1.324  -5.156  -0.530
  204    HB2  LEU  26           HB2      LEU  26  -1.557  -4.274  -0.614
  205    HB3  LEU  26           HB1      LEU  26  -0.327  -3.683  -1.712
  206    HG   LEU  26           HG       LEU  26  -1.278  -6.538  -1.481
  207   HD11  LEU  26          HD11      LEU  26  -1.487  -4.906  -3.952
  208   HD12  LEU  26          HD12      LEU  26  -2.635  -4.598  -2.650
  209   HD13  LEU  26          HD13      LEU  26  -2.521  -6.207  -3.362
  210   HD21  LEU  26          HD21      LEU  26   0.161  -6.949  -3.431
  211   HD22  LEU  26          HD22      LEU  26   1.091  -6.469  -2.011
  212   HD23  LEU  26          HD23      LEU  26   0.788  -5.305  -3.300
  213    H    TYR  27           H        TYR  27   2.394  -3.269  -0.510
  214    HA   TYR  27           HA       TYR  27   1.724  -1.377   1.649
  215    HB2  TYR  27           HB2      TYR  27   3.933  -2.654   1.732
  216    HB3  TYR  27           HB1      TYR  27   4.409  -1.751   0.301
  217    HD1  TYR  27           HD2      TYR  27   2.635  -0.650   3.395
  218    HD2  TYR  27           HD1      TYR  27   6.098  -0.315   0.955
  219    HE1  TYR  27           HE2      TYR  27   3.467   1.156   4.839
  220    HE2  TYR  27           HE1      TYR  27   6.946   1.489   2.392
  221    HH   TYR  27           HH       TYR  27   6.032   2.082   5.341
  222    H    CYS  28           H        CYS  28   0.822   0.465   0.882
  223    HA   CYS  28           HA       CYS  28   1.733   1.421  -1.758
  224    HB2  CYS  28           HB2      CYS  28  -1.067   1.842  -0.741
  225    HB3  CYS  28           HB1      CYS  28  -0.445   2.066  -2.369
  226    H    CYS  29           H        CYS  29   1.561   3.682  -2.141
  227    HA   CYS  29           HA       CYS  29   1.513   5.313   0.313
  228    HB2  CYS  29           HB2      CYS  29   3.259   5.764  -2.119
  229    HB3  CYS  29           HB1      CYS  29   3.248   6.727  -0.646
  230    HA   PRO  30           HA       PRO  30  -1.689   7.236  -2.197
  231    HB2  PRO  30           HB2      PRO  30  -2.750   8.740  -0.215
  232    HB3  PRO  30           HB1      PRO  30  -3.075   7.010  -0.370
  233    HG2  PRO  30           HG2      PRO  30  -1.205   8.433   1.467
  234    HG3  PRO  30           HG1      PRO  30  -2.227   7.020   1.777
  235    HD2  PRO  30           HD2      PRO  30   0.472   6.902   1.252
  236    HD3  PRO  30           HD1      PRO  30  -0.662   5.568   0.969
  237    H    ARG  31           H        ARG  31  -2.181   9.455  -2.848
  238    HA   ARG  31           HA       ARG  31   0.082  10.994  -3.341
  239    HB2  ARG  31           HB2      ARG  31  -1.868  12.860  -3.636
  240    HB3  ARG  31           HB1      ARG  31  -1.436  11.673  -4.851
  241    HG2  ARG  31           HG2      ARG  31  -3.787  11.686  -4.716
  242    HG3  ARG  31           HG1      ARG  31  -3.253  10.206  -3.926
  243    HD2  ARG  31           HD2      ARG  31  -3.703  11.081  -1.775
  244    HD3  ARG  31           HD1      ARG  31  -3.873  12.722  -2.396
  245    HE   ARG  31           HE       ARG  31  -5.809  11.248  -3.674
  246   HH11  ARG  31          HH11      ARG  31  -5.030  11.893  -0.300
  247   HH12  ARG  31          HH12      ARG  31  -6.698  11.925   0.187
  248   HH21  ARG  31          HH21      ARG  31  -7.993  11.284  -3.002
  249   HH22  ARG  31          HH22      ARG  31  -8.372  11.579  -1.338
  250    H    ARG  32           H        ARG  32  -2.431  11.477  -0.908
  251    HA   ARG  32           HA       ARG  32  -0.760  12.436   1.079
  252    HB2  ARG  32           HB2      ARG  32  -1.219  14.795   1.164
  253    HB3  ARG  32           HB1      ARG  32  -0.598  14.449  -0.442
  254    HG2  ARG  32           HG2      ARG  32  -2.383  15.406  -1.334
  255    HG3  ARG  32           HG1      ARG  32  -3.421  14.215  -0.545
  256    HD2  ARG  32           HD2      ARG  32  -2.458  16.811   0.666
  257    HD3  ARG  32           HD1      ARG  32  -4.080  16.498   0.046
  258    HE   ARG  32           HE       ARG  32  -3.423  14.559   1.997
  259   HH11  ARG  32          HH11      ARG  32  -4.235  17.967   1.743
  260   HH12  ARG  32          HH12      ARG  32  -4.904  18.052   3.338
  261   HH21  ARG  32          HH21      ARG  32  -4.280  14.663   4.069
  262   HH22  ARG  32          HH22      ARG  32  -4.928  16.155   4.678
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1   3.831  14.009   0.822
    2    H2   GLY   1           2HT      GLY   1   3.052  15.042   1.919
    3    H3   GLY   1           3HT      GLY   1   2.199  13.772   1.195
    4    HA2  GLY   1           HA1      GLY   1   4.540  13.337   2.949
    5    HA3  GLY   1           HA2      GLY   1   2.889  13.377   3.556
    6    H    LEU   2           H        LEU   2   5.186  11.292   2.928
    7    HA   LEU   2           HA       LEU   2   3.866   9.381   1.256
    8    HB2  LEU   2           HB2      LEU   2   6.335   9.292   2.966
    9    HB3  LEU   2           HB1      LEU   2   5.710   7.845   2.202
   10    HG   LEU   2           HG       LEU   2   7.460   8.679   0.828
   11   HD11  LEU   2          HD11      LEU   2   5.183   9.742  -0.731
   12   HD12  LEU   2          HD12      LEU   2   5.069   8.080  -0.151
   13   HD13  LEU   2          HD13      LEU   2   6.419   8.566  -1.175
   14   HD21  LEU   2          HD21      LEU   2   7.520  10.929  -0.082
   15   HD22  LEU   2          HD22      LEU   2   7.523  10.972   1.681
   16   HD23  LEU   2          HD23      LEU   2   6.044  11.341   0.792
   17    H    LEU   3           H        LEU   3   1.860   9.606   2.661
   18    HA   LEU   3           HA       LEU   3   1.843   8.200   5.171
   19    HB2  LEU   3           HB2      LEU   3  -0.244   9.461   3.439
   20    HB3  LEU   3           HB1      LEU   3  -0.737   8.347   4.697
   21    HG   LEU   3           HG       LEU   3   0.425   9.799   6.364
   22   HD11  LEU   3          HD11      LEU   3   0.473  11.993   4.354
   23   HD12  LEU   3          HD12      LEU   3   1.831  10.870   4.429
   24   HD13  LEU   3          HD13      LEU   3   1.387  11.812   5.852
   25   HD21  LEU   3          HD21      LEU   3  -1.441  11.677   5.128
   26   HD22  LEU   3          HD22      LEU   3  -1.498  10.886   6.704
   27   HD23  LEU   3          HD23      LEU   3  -2.064  10.032   5.268
   28    H    CYS   4           H        CYS   4   2.985   6.437   3.625
   29    HA   CYS   4           HA       CYS   4   1.295   4.719   2.148
   30    HB2  CYS   4           HB2      CYS   4   3.910   4.047   3.494
   31    HB3  CYS   4           HB1      CYS   4   3.148   3.149   2.190
   32    H    TYR   5           H        TYR   5   0.811   2.465   2.711
   33    HA   TYR   5           HA       TYR   5   0.584   1.873   5.543
   34    HB2  TYR   5           HB2      TYR   5  -1.894   1.375   5.254
   35    HB3  TYR   5           HB1      TYR   5  -1.439   3.072   5.331
   36    HD1  TYR   5           HD2      TYR   5  -2.024   0.390   2.786
   37    HD2  TYR   5           HD1      TYR   5  -2.356   4.514   3.767
   38    HE1  TYR   5           HE2      TYR   5  -3.209   0.787   0.676
   39    HE2  TYR   5           HE1      TYR   5  -3.551   4.923   1.654
   40    HH   TYR   5           HH       TYR   5  -4.297   4.035  -0.251
   41    H    CYS   6           H        CYS   6   0.453  -0.208   6.047
   42    HA   CYS   6           HA       CYS   6   0.901  -2.093   3.875
   43    HB2  CYS   6           HB2      CYS   6   2.486  -2.153   5.721
   44    HB3  CYS   6           HB1      CYS   6   1.176  -2.359   6.875
   45    H    ARG   7           H        ARG   7  -0.797  -3.228   3.127
   46    HA   ARG   7           HA       ARG   7  -2.954  -3.907   5.014
   47    HB2  ARG   7           HB2      ARG   7  -3.406  -2.899   2.197
   48    HB3  ARG   7           HB1      ARG   7  -4.651  -3.410   3.324
   49    HG2  ARG   7           HG2      ARG   7  -2.879  -0.991   3.547
   50    HG3  ARG   7           HG1      ARG   7  -4.613  -1.023   3.231
   51    HD2  ARG   7           HD2      ARG   7  -3.217  -1.865   5.767
   52    HD3  ARG   7           HD1      ARG   7  -4.198  -0.421   5.534
   53    HE   ARG   7           HE       ARG   7  -5.869  -2.495   4.914
   54   HH11  ARG   7          HH11      ARG   7  -3.888  -1.690   7.676
   55   HH12  ARG   7          HH12      ARG   7  -4.982  -2.373   8.836
   56   HH21  ARG   7          HH21      ARG   7  -7.331  -3.417   6.439
   57   HH22  ARG   7          HH22      ARG   7  -6.945  -3.362   8.127
   58    H    LYS   8           H        LYS   8  -3.833  -5.888   4.774
   59    HA   LYS   8           HA       LYS   8  -2.494  -7.741   2.999
   60    HB2  LYS   8           HB2      LYS   8  -3.074  -8.244   5.385
   61    HB3  LYS   8           HB1      LYS   8  -4.764  -8.280   4.920
   62    HG2  LYS   8           HG2      LYS   8  -4.023 -10.057   3.205
   63    HG3  LYS   8           HG1      LYS   8  -2.569 -10.181   4.198
   64    HD2  LYS   8           HD2      LYS   8  -4.209 -11.849   4.869
   65    HD3  LYS   8           HD1      LYS   8  -3.962 -10.669   6.158
   66    HE2  LYS   8           HE2      LYS   8  -6.346 -11.247   5.804
   67    HE3  LYS   8           HE1      LYS   8  -6.003  -9.532   5.582
   68    HZ1  LYS   8           HZ1      LYS   8  -7.475 -10.456   3.860
   69    HZ2  LYS   8           HZ2      LYS   8  -6.240 -11.499   3.369
   70    HZ3  LYS   8           HZ3      LYS   8  -6.042  -9.823   3.210
   71    H    GLY   9           H        GLY   9  -3.671  -6.021   1.438
   72    HA2  GLY   9           HA2      GLY   9  -5.499  -7.563  -0.101
   73    HA3  GLY   9           HA1      GLY   9  -6.339  -6.263   0.734
   74    H    HIS  10           H        HIS  10  -6.834  -5.433  -1.404
   75    HA   HIS  10           HA       HIS  10  -4.630  -4.453  -3.001
   76    HB2  HIS  10           HB2      HIS  10  -6.755  -5.416  -3.978
   77    HB3  HIS  10           HB1      HIS  10  -7.572  -3.949  -3.455
   78    HD1  HIS  10           HD1      HIS  10  -7.951  -3.975  -6.215
   79    HD2  HIS  10           HD2      HIS  10  -4.196  -2.920  -4.774
   80    HE1  HIS  10           HE1      HIS  10  -6.822  -2.761  -8.103
   81    H    CYS  11           H        CYS  11  -4.021  -3.145  -0.964
   82    HA   CYS  11           HA       CYS  11  -3.684  -1.097  -0.015
   83    HB2  CYS  11           HB2      CYS  11  -4.980   0.031  -2.492
   84    HB3  CYS  11           HB1      CYS  11  -3.779   0.800  -1.459
   85    H    LYS  12           H        LYS  12  -5.323   1.274  -0.536
   86    HA   LYS  12           HA       LYS  12  -7.852   0.554   0.774
   87    HB2  LYS  12           HB2      LYS  12  -5.798   2.525   1.744
   88    HB3  LYS  12           HB1      LYS  12  -7.493   2.711   2.163
   89    HG2  LYS  12           HG2      LYS  12  -7.491   0.560   3.270
   90    HG3  LYS  12           HG1      LYS  12  -5.823   0.281   2.772
   91    HD2  LYS  12           HD2      LYS  12  -6.025   1.042   5.121
   92    HD3  LYS  12           HD1      LYS  12  -5.058   2.126   4.122
   93    HE2  LYS  12           HE2      LYS  12  -6.539   3.402   5.559
   94    HE3  LYS  12           HE1      LYS  12  -6.998   3.608   3.870
   95    HZ1  LYS  12           HZ1      LYS  12  -8.384   2.104   5.992
   96    HZ2  LYS  12           HZ2      LYS  12  -8.639   1.711   4.368
   97    HZ3  LYS  12           HZ3      LYS  12  -9.005   3.264   4.930
   98    H    ARG  13           H        ARG  13  -8.286   0.935  -1.642
   99    HA   ARG  13           HA       ARG  13  -9.441   2.126  -3.189
  100    HB2  ARG  13           HB2      ARG  13  -9.609   4.204  -0.999
  101    HB3  ARG  13           HB1      ARG  13 -10.423   4.344  -2.548
  102    HG2  ARG  13           HG2      ARG  13 -11.720   2.340  -2.060
  103    HG3  ARG  13           HG1      ARG  13 -10.885   2.171  -0.514
  104    HD2  ARG  13           HD2      ARG  13 -11.763   4.351   0.189
  105    HD3  ARG  13           HD1      ARG  13 -12.607   4.503  -1.351
  106    HE   ARG  13           HE       ARG  13 -13.410   2.108  -0.166
  107   HH11  ARG  13          HH11      ARG  13 -13.666   5.550   0.412
  108   HH12  ARG  13          HH12      ARG  13 -15.173   5.432   1.256
  109   HH21  ARG  13          HH21      ARG  13 -15.410   1.942   0.950
  110   HH22  ARG  13          HH22      ARG  13 -16.168   3.373   1.564
  111    H    GLY  14           H        GLY  14  -8.426   5.204  -2.026
  112    HA2  GLY  14           HA2      GLY  14  -6.991   5.745  -4.443
  113    HA3  GLY  14           HA1      GLY  14  -7.209   6.842  -3.090
  114    H    GLY  15           H        GLY  15  -5.461   3.846  -3.904
  115    HA2  GLY  15           HA2      GLY  15  -3.018   5.067  -2.872
  116    HA3  GLY  15           HA1      GLY  15  -3.572   3.603  -2.072
  117    H    ARG  16           H        ARG  16  -1.292   4.497  -3.998
  118    HA   ARG  16           HA       ARG  16  -1.604   2.437  -6.036
  119    HB2  ARG  16           HB2      ARG  16   0.548   4.534  -5.661
  120    HB3  ARG  16           HB1      ARG  16   0.458   3.401  -7.003
  121    HG2  ARG  16           HG2      ARG  16  -1.553   5.546  -6.354
  122    HG3  ARG  16           HG1      ARG  16  -0.363   5.585  -7.657
  123    HD2  ARG  16           HD2      ARG  16  -1.414   3.649  -8.695
  124    HD3  ARG  16           HD1      ARG  16  -2.580   3.558  -7.375
  125    HE   ARG  16           HE       ARG  16  -2.706   6.114  -8.528
  126   HH11  ARG  16          HH11      ARG  16  -3.485   2.791  -9.282
  127   HH12  ARG  16          HH12      ARG  16  -4.771   3.197 -10.368
  128   HH21  ARG  16          HH21      ARG  16  -4.409   6.666  -9.961
  129   HH22  ARG  16          HH22      ARG  16  -5.299   5.410 -10.755
  130    H    VAL  17           H        VAL  17  -0.550   0.565  -5.939
  131    HA   VAL  17           HA       VAL  17   0.615  -0.311  -3.559
  132    HB   VAL  17           HB       VAL  17  -0.350  -1.939  -5.008
  133   HG11  VAL  17          HG11      VAL  17   1.780  -1.698  -7.072
  134   HG12  VAL  17          HG21      VAL  17   0.424  -0.571  -7.111
  135   HG13  VAL  17          3HG1      VAL  17   0.132  -2.306  -7.218
  136   HG21  VAL  17          HG12      VAL  17   2.203  -3.069  -5.509
  137   HG22  VAL  17          HG22      VAL  17   1.066  -3.439  -4.212
  138   HG23  VAL  17          HG23      VAL  17   2.279  -2.178  -3.989
  139    H    ARG  18           H        ARG  18   2.519  -0.053  -2.729
  140    HA   ARG  18           HA       ARG  18   4.627   1.207  -4.284
  141    HB2  ARG  18           HB2      ARG  18   3.972   2.035  -2.002
  142    HB3  ARG  18           HB1      ARG  18   4.582   0.525  -1.336
  143    HG2  ARG  18           HG2      ARG  18   6.212   2.307  -1.102
  144    HG3  ARG  18           HG1      ARG  18   6.810   1.045  -2.184
  145    HD2  ARG  18           HD2      ARG  18   5.996   2.440  -4.103
  146    HD3  ARG  18           HD1      ARG  18   5.662   3.725  -2.945
  147    HE   ARG  18           HE       ARG  18   7.877   4.232  -2.959
  148   HH11  ARG  18          HH11      ARG  18   7.532   0.926  -4.095
  149   HH12  ARG  18          HH12      ARG  18   9.222   0.737  -4.431
  150   HH21  ARG  18          HH21      ARG  18  10.108   3.975  -3.403
  151   HH22  ARG  18          HH22      ARG  18  10.688   2.471  -4.037
  152    H    GLY  19           H        GLY  19   3.752  -1.801  -2.846
  153    HA2  GLY  19           HA2      GLY  19   5.313  -3.482  -4.273
  154    HA3  GLY  19           HA1      GLY  19   6.392  -2.968  -2.981
  155    H    THR  20           H        THR  20   6.415  -5.182  -2.255
  156    HA   THR  20           HA       THR  20   3.914  -6.176  -1.138
  157    HB   THR  20           HB       THR  20   5.474  -8.166  -0.538
  158    HG1  THR  20           HG1      THR  20   7.405  -8.196  -1.511
  159   HG21  THR  20          HG12      THR  20   3.699  -8.044  -2.342
  160   HG22  THR  20          HG22      THR  20   5.006  -9.195  -2.626
  161   HG23  THR  20          HG23      THR  20   4.997  -7.644  -3.467
  162    H    CYS  21           H        CYS  21   3.529  -6.412   0.999
  163    HA   CYS  21           HA       CYS  21   5.442  -5.131   2.821
  164    HB2  CYS  21           HB2      CYS  21   3.122  -4.239   2.766
  165    HB3  CYS  21           HB1      CYS  21   2.529  -5.814   3.283
  166    H    GLY  22           H        GLY  22   6.416  -7.444   2.160
  167    HA2  GLY  22           HA2      GLY  22   7.356  -9.206   3.410
  168    HA3  GLY  22           HA1      GLY  22   6.019  -9.080   4.545
  169    H    ILE  23           H        ILE  23   5.109 -11.049   4.550
  170    HA   ILE  23           HA       ILE  23   4.656 -12.366   1.977
  171    HB   ILE  23           HB       ILE  23   5.840 -13.730   3.575
  172   HG12  ILE  23          HG21      ILE  23   4.300 -15.691   3.703
  173   HG13  ILE  23          HG11      ILE  23   2.985 -14.643   3.182
  174   HG21  ILE  23          HG12      ILE  23   3.738 -12.817   5.423
  175   HG22  ILE  23          HG22      ILE  23   5.436 -13.187   5.720
  176   HG23  ILE  23          HG23      ILE  23   4.257 -14.493   5.601
  177   HD11  ILE  23          HD11      ILE  23   3.796 -14.473   1.038
  178   HD12  ILE  23          HD12      ILE  23   4.233 -16.129   1.460
  179   HD13  ILE  23          HD13      ILE  23   5.449 -14.853   1.518
  180    H    ARG  24           H        ARG  24   2.746 -12.437   1.092
  181    HA   ARG  24           HA       ARG  24   0.529 -12.267   0.684
  182    HB2  ARG  24           HB2      ARG  24   0.254 -13.160   3.558
  183    HB3  ARG  24           HB1      ARG  24  -1.019 -13.194   2.345
  184    HG2  ARG  24           HG2      ARG  24   0.244 -14.809   1.036
  185    HG3  ARG  24           HG1      ARG  24   1.556 -14.751   2.214
  186    HD2  ARG  24           HD2      ARG  24   0.260 -16.701   2.667
  187    HD3  ARG  24           HD1      ARG  24  -0.065 -15.533   3.944
  188    HE   ARG  24           HE       ARG  24  -2.248 -15.525   3.311
  189   HH11  ARG  24          HH11      ARG  24  -0.361 -16.788   0.645
  190   HH12  ARG  24          HH12      ARG  24  -1.741 -17.139  -0.339
  191   HH21  ARG  24          HH21      ARG  24  -4.079 -15.997   2.015
  192   HH22  ARG  24          HH22      ARG  24  -3.862 -16.689   0.443
  193    H    PHE  25           H        PHE  25   1.937  -9.908   1.742
  194    HA   PHE  25           HA       PHE  25  -0.442  -8.375   2.503
  195    HB2  PHE  25           HB2      PHE  25   2.185  -8.459   3.937
  196    HB3  PHE  25           HB1      PHE  25   1.314  -6.934   3.860
  197    HD1  PHE  25           HD2      PHE  25   0.700 -10.521   4.724
  198    HD2  PHE  25           HD1      PHE  25  -0.130  -6.432   5.551
  199    HE1  PHE  25           HE2      PHE  25  -0.655 -11.192   6.664
  200    HE2  PHE  25           HE1      PHE  25  -1.481  -7.093   7.496
  201    HZ   PHE  25           HZ       PHE  25  -1.750  -9.476   8.052
  202    H    LEU  26           H        LEU  26  -0.543  -6.323   1.599
  203    HA   LEU  26           HA       LEU  26   1.573  -5.741  -0.360
  204    HB2  LEU  26           HB2      LEU  26  -1.382  -5.167  -0.431
  205    HB3  LEU  26           HB1      LEU  26  -0.248  -4.372  -1.503
  206    HG   LEU  26           HG       LEU  26   0.432  -6.738  -2.244
  207   HD11  LEU  26          HD11      LEU  26  -1.058  -8.518  -1.905
  208   HD12  LEU  26          HD12      LEU  26  -2.292  -7.465  -1.213
  209   HD13  LEU  26          HD13      LEU  26  -0.817  -7.808  -0.309
  210   HD21  LEU  26          HD21      LEU  26  -0.639  -5.894  -4.001
  211   HD22  LEU  26          HD22      LEU  26  -1.801  -5.046  -2.980
  212   HD23  LEU  26          HD23      LEU  26  -2.074  -6.734  -3.413
  213    H    TYR  27           H        TYR  27   2.497  -3.777  -0.418
  214    HA   TYR  27           HA       TYR  27   1.749  -1.896   1.722
  215    HB2  TYR  27           HB2      TYR  27   4.109  -2.930   1.608
  216    HB3  TYR  27           HB1      TYR  27   4.351  -1.926   0.184
  217    HD1  TYR  27           HD1      TYR  27   2.807  -1.321   3.534
  218    HD2  TYR  27           HD2      TYR  27   5.725  -0.140   0.674
  219    HE1  TYR  27           HE1      TYR  27   3.468   0.543   4.991
  220    HE2  TYR  27           HE2      TYR  27   6.396   1.730   2.125
  221    HH   TYR  27           HH       TYR  27   6.199   2.629   4.185
  222    H    CYS  28           H        CYS  28   0.761  -0.048   1.051
  223    HA   CYS  28           HA       CYS  28   1.298   0.843  -1.709
  224    HB2  CYS  28           HB2      CYS  28  -1.423   0.980  -0.416
  225    HB3  CYS  28           HB1      CYS  28  -1.003   1.341  -2.086
  226    H    CYS  29           H        CYS  29   0.951   3.059  -2.137
  227    HA   CYS  29           HA       CYS  29   0.846   4.791   0.243
  228    HB2  CYS  29           HB2      CYS  29   2.612   5.249  -2.174
  229    HB3  CYS  29           HB1      CYS  29   2.550   6.228  -0.714
  230    HA   PRO  30           HA       PRO  30  -2.541   6.520  -2.084
  231    HB2  PRO  30           HB2      PRO  30  -2.769   8.842  -0.631
  232    HB3  PRO  30           HB1      PRO  30  -3.454   7.289  -0.141
  233    HG2  PRO  30           HG2      PRO  30  -0.920   8.608   0.739
  234    HG3  PRO  30           HG1      PRO  30  -2.107   7.706   1.699
  235    HD2  PRO  30           HD2      PRO  30   0.225   6.611   0.920
  236    HD3  PRO  30           HD1      PRO  30  -1.266   5.655   1.043
  237    H    ARG  31           H        ARG  31   0.318   8.425  -1.288
  238    HA   ARG  31           HA       ARG  31   0.726   9.326  -3.923
  239    HB2  ARG  31           HB2      ARG  31   0.300  11.739  -3.579
  240    HB3  ARG  31           HB1      ARG  31  -1.176  10.787  -3.504
  241    HG2  ARG  31           HG2      ARG  31  -1.019  10.855  -1.019
  242    HG3  ARG  31           HG1      ARG  31   0.351  11.957  -1.187
  243    HD2  ARG  31           HD2      ARG  31  -1.699  13.200  -0.794
  244    HD3  ARG  31           HD1      ARG  31  -1.077  13.529  -2.411
  245    HE   ARG  31           HE       ARG  31  -2.899  11.423  -2.604
  246   HH11  ARG  31          HH11      ARG  31  -2.888  14.831  -1.828
  247   HH12  ARG  31          HH12      ARG  31  -4.511  15.097  -2.368
  248   HH21  ARG  31          HH21      ARG  31  -5.042  11.757  -3.327
  249   HH22  ARG  31          HH22      ARG  31  -5.744  13.337  -3.227
  250    H    ARG  32           H        ARG  32   1.962  11.844  -3.123
  251    HA   ARG  32           HA       ARG  32   4.184  10.779  -1.523
  252    HB2  ARG  32           HB2      ARG  32   4.219  12.890  -3.691
  253    HB3  ARG  32           HB1      ARG  32   5.604  12.455  -2.700
  254    HG2  ARG  32           HG2      ARG  32   5.467  10.154  -3.591
  255    HG3  ARG  32           HG1      ARG  32   4.155  10.675  -4.648
  256    HD2  ARG  32           HD2      ARG  32   6.958  11.791  -4.634
  257    HD3  ARG  32           HD1      ARG  32   6.316  10.647  -5.811
  258    HE   ARG  32           HE       ARG  32   5.986  13.464  -5.820
  259   HH11  ARG  32          HH11      ARG  32   4.280  10.502  -6.584
  260   HH12  ARG  32          HH12      ARG  32   3.262  11.241  -7.774
  261   HH21  ARG  32          HH21      ARG  32   4.634  14.447  -7.389
  262   HH22  ARG  32          HH22      ARG  32   3.465  13.489  -8.232
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1   7.199  11.601   0.835
    2    H2   GLY   1           2HT      GLY   1   7.247  10.451   2.077
    3    H3   GLY   1           3HT      GLY   1   8.632  11.342   1.701
    4    HA2  GLY   1           HA1      GLY   1   8.073  12.814   3.234
    5    HA3  GLY   1           HA2      GLY   1   6.685  13.212   2.229
    6    H    LEU   2           H        LEU   2   4.902  11.382   2.411
    7    HA   LEU   2           HA       LEU   2   4.324  11.220   5.271
    8    HB2  LEU   2           HB2      LEU   2   2.657  12.061   3.528
    9    HB3  LEU   2           HB1      LEU   2   2.516  10.393   3.005
   10    HG   LEU   2           HG       LEU   2   1.655   9.738   5.185
   11   HD11  LEU   2          HD11      LEU   2   2.796  12.240   5.991
   12   HD12  LEU   2          HD12      LEU   2   2.173  10.925   6.987
   13   HD13  LEU   2          HD13      LEU   2   1.088  12.193   6.422
   14   HD21  LEU   2          HD21      LEU   2  -0.003  10.423   3.613
   15   HD22  LEU   2          HD22      LEU   2   0.297  12.127   3.952
   16   HD23  LEU   2          HD23      LEU   2  -0.443  11.103   5.181
   17    H    LEU   3           H        LEU   3   4.127   9.315   6.377
   18    HA   LEU   3           HA       LEU   3   5.618   7.120   5.487
   19    HB2  LEU   3           HB2      LEU   3   4.943   5.989   7.491
   20    HB3  LEU   3           HB1      LEU   3   5.269   7.666   7.865
   21    HG   LEU   3           HG       LEU   3   2.462   6.674   7.411
   22   HD11  LEU   3          HD11      LEU   3   3.241   7.052  10.186
   23   HD12  LEU   3          HD12      LEU   3   4.106   5.724   9.411
   24   HD13  LEU   3          HD13      LEU   3   2.343   5.733   9.431
   25   HD21  LEU   3          HD21      LEU   3   1.881   8.617   8.777
   26   HD22  LEU   3          HD22      LEU   3   2.807   9.094   7.354
   27   HD23  LEU   3          HD23      LEU   3   3.591   9.024   8.933
   28    H    CYS   4           H        CYS   4   5.129   5.248   4.528
   29    HA   CYS   4           HA       CYS   4   2.617   5.030   3.169
   30    HB2  CYS   4           HB2      CYS   4   4.833   2.980   3.310
   31    HB3  CYS   4           HB1      CYS   4   3.567   3.093   2.095
   32    H    TYR   5           H        TYR   5   1.301   3.015   3.275
   33    HA   TYR   5           HA       TYR   5   1.293   1.905   5.995
   34    HB2  TYR   5           HB2      TYR   5  -1.250   1.852   5.742
   35    HB3  TYR   5           HB1      TYR   5  -0.495   3.408   6.054
   36    HD1  TYR   5           HD2      TYR   5  -1.735   1.295   3.237
   37    HD2  TYR   5           HD1      TYR   5  -1.030   5.223   4.701
   38    HE1  TYR   5           HE2      TYR   5  -2.877   2.223   1.272
   39    HE2  TYR   5           HE1      TYR   5  -2.177   6.165   2.740
   40    HH   TYR   5           HH       TYR   5  -2.659   5.388   0.337
   41    H    CYS   6           H        CYS   6   1.008  -0.154   6.278
   42    HA   CYS   6           HA       CYS   6   1.150  -1.896   3.994
   43    HB2  CYS   6           HB2      CYS   6   2.495  -2.319   6.020
   44    HB3  CYS   6           HB1      CYS   6   1.019  -2.505   6.957
   45    H    ARG   7           H        ARG   7  -0.576  -2.970   3.104
   46    HA   ARG   7           HA       ARG   7  -3.065  -3.045   4.682
   47    HB2  ARG   7           HB2      ARG   7  -2.893  -2.373   1.740
   48    HB3  ARG   7           HB1      ARG   7  -4.366  -2.502   2.689
   49    HG2  ARG   7           HG2      ARG   7  -2.198  -0.439   2.999
   50    HG3  ARG   7           HG1      ARG   7  -3.816  -0.188   2.344
   51    HD2  ARG   7           HD2      ARG   7  -3.125  -0.967   5.176
   52    HD3  ARG   7           HD1      ARG   7  -3.677   0.616   4.633
   53    HE   ARG   7           HE       ARG   7  -5.617  -1.197   3.850
   54   HH11  ARG   7          HH11      ARG   7  -4.184  -0.128   6.852
   55   HH12  ARG   7          HH12      ARG   7  -5.624  -0.372   7.785
   56   HH21  ARG   7          HH21      ARG   7  -7.533  -1.533   5.075
   57   HH22  ARG   7          HH22      ARG   7  -7.535  -1.176   6.769
   58    H    LYS   8           H        LYS   8  -4.307  -4.819   4.496
   59    HA   LYS   8           HA       LYS   8  -3.149  -7.131   3.177
   60    HB2  LYS   8           HB2      LYS   8  -3.947  -7.298   5.485
   61    HB3  LYS   8           HB1      LYS   8  -5.567  -6.871   4.980
   62    HG2  LYS   8           HG2      LYS   8  -5.258  -9.287   5.405
   63    HG3  LYS   8           HG1      LYS   8  -5.791  -8.927   3.761
   64    HD2  LYS   8           HD2      LYS   8  -3.549  -9.222   2.925
   65    HD3  LYS   8           HD1      LYS   8  -2.929  -9.433   4.564
   66    HE2  LYS   8           HE2      LYS   8  -4.925 -11.247   3.217
   67    HE3  LYS   8           HE1      LYS   8  -3.196 -11.566   3.349
   68    HZ1  LYS   8           HZ1      LYS   8  -3.620 -12.504   5.295
   69    HZ2  LYS   8           HZ2      LYS   8  -5.240 -12.023   5.253
   70    HZ3  LYS   8           HZ3      LYS   8  -4.070 -10.991   5.904
   71    H    GLY   9           H        GLY   9  -3.823  -5.386   1.349
   72    HA2  GLY   9           HA2      GLY   9  -5.415  -6.712  -0.469
   73    HA3  GLY   9           HA1      GLY   9  -6.485  -5.578   0.350
   74    H    HIS  10           H        HIS  10  -6.694  -4.621  -1.814
   75    HA   HIS  10           HA       HIS  10  -4.414  -3.334  -2.970
   76    HB2  HIS  10           HB2      HIS  10  -5.956  -2.381  -4.609
   77    HB3  HIS  10           HB1      HIS  10  -6.211  -4.106  -4.423
   78    HD1  HIS  10           HD1      HIS  10  -8.401  -2.528  -5.708
   79    HD2  HIS  10           HD2      HIS  10  -8.200  -3.088  -1.594
   80    HE1  HIS  10           HE1      HIS  10 -10.750  -2.219  -4.872
   81    H    CYS  11           H        CYS  11  -3.983  -2.328  -0.768
   82    HA   CYS  11           HA       CYS  11  -3.719  -0.437   0.484
   83    HB2  CYS  11           HB2      CYS  11  -4.908   1.068  -1.840
   84    HB3  CYS  11           HB1      CYS  11  -3.743   1.649  -0.657
   85    H    LYS  12           H        LYS  12  -5.298   1.959   0.348
   86    HA   LYS  12           HA       LYS  12  -7.494   1.157   2.035
   87    HB2  LYS  12           HB2      LYS  12  -6.442   3.830   1.122
   88    HB3  LYS  12           HB1      LYS  12  -7.912   3.682   2.069
   89    HG2  LYS  12           HG2      LYS  12  -6.671   2.662   3.883
   90    HG3  LYS  12           HG1      LYS  12  -5.190   2.729   2.927
   91    HD2  LYS  12           HD2      LYS  12  -5.233   4.560   4.517
   92    HD3  LYS  12           HD1      LYS  12  -5.354   5.186   2.874
   93    HE2  LYS  12           HE2      LYS  12  -7.800   4.682   4.544
   94    HE3  LYS  12           HE1      LYS  12  -6.888   6.183   4.687
   95    HZ1  LYS  12           HZ1      LYS  12  -8.641   6.538   3.148
   96    HZ2  LYS  12           HZ2      LYS  12  -8.267   5.142   2.272
   97    HZ3  LYS  12           HZ3      LYS  12  -7.213   6.464   2.245
   98    H    ARG  13           H        ARG  13  -8.122  -0.019  -0.189
   99    HA   ARG  13           HA       ARG  13  -9.763  -0.327  -1.725
  100    HB2  ARG  13           HB2      ARG  13 -11.215   0.707   0.053
  101    HB3  ARG  13           HB1      ARG  13 -10.970   2.263  -0.726
  102    HG2  ARG  13           HG2      ARG  13 -11.970   1.299  -2.799
  103    HG3  ARG  13           HG1      ARG  13 -12.356  -0.150  -1.871
  104    HD2  ARG  13           HD2      ARG  13 -13.300   2.640  -1.222
  105    HD3  ARG  13           HD1      ARG  13 -14.259   1.407  -2.039
  106    HE   ARG  13           HE       ARG  13 -13.363   0.328   0.370
  107   HH11  ARG  13          HH11      ARG  13 -15.457   2.898  -0.729
  108   HH12  ARG  13          HH12      ARG  13 -16.505   2.819   0.647
  109   HH21  ARG  13          HH21      ARG  13 -14.743   0.205   2.200
  110   HH22  ARG  13          HH22      ARG  13 -16.096   1.280   2.323
  111    H    GLY  14           H        GLY  14  -7.497   0.564  -2.715
  112    HA2  GLY  14           HA2      GLY  14  -8.346   2.099  -5.009
  113    HA3  GLY  14           HA1      GLY  14  -7.170   2.920  -3.991
  114    H    GLY  15           H        GLY  15  -5.287   2.841  -5.035
  115    HA2  GLY  15           HA2      GLY  15  -3.984   0.326  -5.430
  116    HA3  GLY  15           HA1      GLY  15  -4.462   1.058  -6.954
  117    H    ARG  16           H        ARG  16  -2.852   1.981  -3.911
  118    HA   ARG  16           HA       ARG  16  -0.923   3.508  -5.531
  119    HB2  ARG  16           HB2      ARG  16  -2.039   4.100  -2.793
  120    HB3  ARG  16           HB1      ARG  16  -0.584   4.871  -3.405
  121    HG2  ARG  16           HG2      ARG  16  -3.289   5.012  -4.725
  122    HG3  ARG  16           HG1      ARG  16  -2.611   6.252  -3.669
  123    HD2  ARG  16           HD2      ARG  16  -2.214   6.960  -5.903
  124    HD3  ARG  16           HD1      ARG  16  -0.669   6.402  -5.263
  125    HE   ARG  16           HE       ARG  16  -1.982   4.286  -6.608
  126   HH11  ARG  16          HH11      ARG  16  -0.259   7.263  -7.250
  127   HH12  ARG  16          HH12      ARG  16   0.273   6.766  -8.820
  128   HH21  ARG  16          HH21      ARG  16  -1.287   3.620  -8.660
  129   HH22  ARG  16          HH22      ARG  16  -0.317   4.679  -9.631
  130    H    VAL  17           H        VAL  17  -0.698   0.773  -4.983
  131    HA   VAL  17           HA       VAL  17   1.036   0.303  -2.774
  132    HB   VAL  17           HB       VAL  17  -0.308  -1.514  -3.628
  133   HG11  VAL  17          HG11      VAL  17   0.257  -2.547  -5.848
  134   HG12  VAL  17          HG21      VAL  17   1.180  -1.089  -6.207
  135   HG13  VAL  17          3HG1      VAL  17  -0.557  -0.984  -5.926
  136   HG21  VAL  17          HG12      VAL  17   2.139  -1.834  -2.767
  137   HG22  VAL  17          HG22      VAL  17   2.433  -2.363  -4.423
  138   HG23  VAL  17          HG23      VAL  17   1.236  -3.196  -3.431
  139    H    ARG  18           H        ARG  18   3.217   0.278  -2.674
  140    HA   ARG  18           HA       ARG  18   4.680   0.929  -5.144
  141    HB2  ARG  18           HB2      ARG  18   4.902   2.154  -2.417
  142    HB3  ARG  18           HB1      ARG  18   6.295   2.129  -3.490
  143    HG2  ARG  18           HG2      ARG  18   4.927   3.293  -5.204
  144    HG3  ARG  18           HG1      ARG  18   3.629   3.424  -4.014
  145    HD2  ARG  18           HD2      ARG  18   5.049   5.464  -4.203
  146    HD3  ARG  18           HD1      ARG  18   4.985   4.776  -2.582
  147    HE   ARG  18           HE       ARG  18   7.233   4.488  -2.683
  148   HH11  ARG  18          HH11      ARG  18   6.054   4.721  -5.972
  149   HH12  ARG  18          HH12      ARG  18   7.627   4.595  -6.685
  150   HH21  ARG  18          HH21      ARG  18   9.314   4.325  -3.616
  151   HH22  ARG  18          HH22      ARG  18   9.488   4.369  -5.339
  152    H    GLY  19           H        GLY  19   4.200  -1.335  -2.813
  153    HA2  GLY  19           HA2      GLY  19   6.413  -2.890  -3.611
  154    HA3  GLY  19           HA1      GLY  19   6.777  -2.139  -2.065
  155    H    THR  20           H        THR  20   6.826  -4.717  -1.894
  156    HA   THR  20           HA       THR  20   4.178  -5.708  -1.181
  157    HB   THR  20           HB       THR  20   5.573  -7.854  -0.725
  158    HG1  THR  20           HG1      THR  20   7.552  -7.909  -1.763
  159   HG21  THR  20          HG12      THR  20   4.822  -6.640  -3.342
  160   HG22  THR  20          HG22      THR  20   4.166  -8.062  -2.529
  161   HG23  THR  20          HG23      THR  20   5.727  -8.154  -3.347
  162    H    CYS  21           H        CYS  21   3.583  -6.220   0.878
  163    HA   CYS  21           HA       CYS  21   5.409  -5.316   2.998
  164    HB2  CYS  21           HB2      CYS  21   3.207  -4.171   2.815
  165    HB3  CYS  21           HB1      CYS  21   2.412  -5.709   3.125
  166    H    GLY  22           H        GLY  22   6.045  -7.736   2.020
  167    HA2  GLY  22           HA2      GLY  22   6.720  -9.701   3.135
  168    HA3  GLY  22           HA1      GLY  22   5.397  -9.478   4.273
  169    H    ILE  23           H        ILE  23   4.361 -11.399   4.118
  170    HA   ILE  23           HA       ILE  23   3.795 -12.504   1.494
  171    HB   ILE  23           HB       ILE  23   4.566 -14.095   3.094
  172   HG12  ILE  23          HG21      ILE  23   1.584 -14.454   2.721
  173   HG13  ILE  23          HG11      ILE  23   2.817 -14.860   1.533
  174   HG21  ILE  23          HG12      ILE  23   4.111 -13.091   5.176
  175   HG22  ILE  23          HG22      ILE  23   3.190 -14.596   5.154
  176   HG23  ILE  23          HG23      ILE  23   2.376 -13.057   4.870
  177   HD11  ILE  23          HD11      ILE  23   2.300 -16.169   4.182
  178   HD12  ILE  23          HD12      ILE  23   3.765 -16.450   3.242
  179   HD13  ILE  23          HD13      ILE  23   2.191 -16.877   2.570
  180    H    ARG  24           H        ARG  24   2.040 -12.098   0.430
  181    HA   ARG  24           HA       ARG  24  -0.046 -11.461  -0.170
  182    HB2  ARG  24           HB2      ARG  24  -0.738 -12.760   2.466
  183    HB3  ARG  24           HB1      ARG  24  -1.915 -12.298   1.246
  184    HG2  ARG  24           HG2      ARG  24   0.304 -14.302   0.875
  185    HG3  ARG  24           HG1      ARG  24  -1.397 -14.680   1.152
  186    HD2  ARG  24           HD2      ARG  24  -1.994 -13.551  -0.931
  187    HD3  ARG  24           HD1      ARG  24  -0.300 -13.143  -1.202
  188    HE   ARG  24           HE       ARG  24   0.017 -15.233  -2.039
  189   HH11  ARG  24          HH11      ARG  24  -2.916 -15.285  -0.124
  190   HH12  ARG  24          HH12      ARG  24  -3.287 -16.935  -0.496
  191   HH21  ARG  24          HH21      ARG  24  -0.473 -17.415  -2.539
  192   HH22  ARG  24          HH22      ARG  24  -1.894 -18.148  -1.872
  193    H    PHE  25           H        PHE  25   1.462  -9.426   1.063
  194    HA   PHE  25           HA       PHE  25  -0.725  -7.745   2.040
  195    HB2  PHE  25           HB2      PHE  25   1.829  -8.325   3.461
  196    HB3  PHE  25           HB1      PHE  25   1.244  -6.668   3.495
  197    HD1  PHE  25           HD1      PHE  25   0.344 -10.158   4.360
  198    HD2  PHE  25           HD2      PHE  25  -0.483  -6.024   4.920
  199    HE1  PHE  25           HE1      PHE  25  -1.166 -10.715   6.222
  200    HE2  PHE  25           HE2      PHE  25  -1.993  -6.571   6.781
  201    HZ   PHE  25           HZ       PHE  25  -2.340  -8.916   7.434
  202    H    LEU  26           H        LEU  26  -0.674  -5.680   1.256
  203    HA   LEU  26           HA       LEU  26   1.486  -5.112  -0.654
  204    HB2  LEU  26           HB2      LEU  26  -1.368  -4.168  -0.520
  205    HB3  LEU  26           HB1      LEU  26  -0.180  -3.403  -1.552
  206    HG   LEU  26           HG       LEU  26   0.162  -5.702  -2.611
  207   HD11  LEU  26          HD11      LEU  26  -1.078  -6.860  -0.704
  208   HD12  LEU  26          HD12      LEU  26  -1.453  -7.373  -2.350
  209   HD13  LEU  26          HD13      LEU  26  -2.555  -6.299  -1.488
  210   HD21  LEU  26          HD21      LEU  26  -1.113  -3.745  -3.559
  211   HD22  LEU  26          HD22      LEU  26  -2.581  -4.527  -2.974
  212   HD23  LEU  26          HD23      LEU  26  -1.570  -5.333  -4.173
  213    H    TYR  27           H        TYR  27   2.738  -3.376  -0.465
  214    HA   TYR  27           HA       TYR  27   2.343  -1.653   1.876
  215    HB2  TYR  27           HB2      TYR  27   4.545  -2.877   1.458
  216    HB3  TYR  27           HB1      TYR  27   4.775  -1.806   0.081
  217    HD1  TYR  27           HD1      TYR  27   3.550  -1.169   3.556
  218    HD2  TYR  27           HD2      TYR  27   6.480  -0.335   0.585
  219    HE1  TYR  27           HE1      TYR  27   4.576   0.497   5.044
  220    HE2  TYR  27           HE2      TYR  27   7.513   1.334   2.066
  221    HH   TYR  27           HH       TYR  27   7.607   2.059   4.244
  222    H    CYS  28           H        CYS  28   0.957  -0.091   1.279
  223    HA   CYS  28           HA       CYS  28   1.361   1.260  -1.295
  224    HB2  CYS  28           HB2      CYS  28  -1.007   1.384   0.575
  225    HB3  CYS  28           HB1      CYS  28  -0.917   2.068  -1.044
  226    H    CYS  29           H        CYS  29   1.679   3.433  -1.449
  227    HA   CYS  29           HA       CYS  29   2.194   4.838   1.084
  228    HB2  CYS  29           HB2      CYS  29   3.330   5.364  -1.672
  229    HB3  CYS  29           HB1      CYS  29   3.687   6.309  -0.228
  230    HA   PRO  30           HA       PRO  30  -1.272   7.465   0.501
  231    HB2  PRO  30           HB2      PRO  30   0.570   9.666   1.298
  232    HB3  PRO  30           HB1      PRO  30  -1.009   9.223   1.957
  233    HG2  PRO  30           HG2      PRO  30   1.206   8.618   3.285
  234    HG3  PRO  30           HG1      PRO  30  -0.137   7.461   3.204
  235    HD2  PRO  30           HD2      PRO  30   2.456   7.462   1.718
  236    HD3  PRO  30           HD1      PRO  30   1.543   6.098   2.394
  237    H    ARG  31           H        ARG  31   1.747   9.081  -0.578
  238    HA   ARG  31           HA       ARG  31   0.778   9.365  -3.240
  239    HB2  ARG  31           HB2      ARG  31  -0.589  11.107  -2.148
  240    HB3  ARG  31           HB1      ARG  31   0.877  11.881  -1.564
  241    HG2  ARG  31           HG2      ARG  31  -0.020  13.022  -3.518
  242    HG3  ARG  31           HG1      ARG  31   1.571  12.336  -3.850
  243    HD2  ARG  31           HD2      ARG  31   0.534  10.442  -4.979
  244    HD3  ARG  31           HD1      ARG  31  -1.067  11.080  -4.609
  245    HE   ARG  31           HE       ARG  31   0.654  11.875  -6.744
  246   HH11  ARG  31          HH11      ARG  31  -1.868  13.007  -4.594
  247   HH12  ARG  31          HH12      ARG  31  -2.354  14.304  -5.632
  248   HH21  ARG  31          HH21      ARG  31   0.013  13.590  -8.126
  249   HH22  ARG  31          HH22      ARG  31  -1.284  14.635  -7.649
  250    H    ARG  32           H        ARG  32   2.935  10.916  -0.857
  251    HA   ARG  32           HA       ARG  32   5.289  10.087  -2.170
  252    HB2  ARG  32           HB2      ARG  32   6.114  12.229  -2.991
  253    HB3  ARG  32           HB1      ARG  32   4.615  11.813  -3.809
  254    HG2  ARG  32           HG2      ARG  32   3.384  13.367  -2.434
  255    HG3  ARG  32           HG1      ARG  32   4.832  13.720  -1.488
  256    HD2  ARG  32           HD2      ARG  32   5.916  14.596  -3.512
  257    HD3  ARG  32           HD1      ARG  32   4.443  14.279  -4.426
  258    HE   ARG  32           HE       ARG  32   3.789  15.884  -2.232
  259   HH11  ARG  32          HH11      ARG  32   5.616  16.085  -5.203
  260   HH12  ARG  32          HH12      ARG  32   5.367  17.787  -5.401
  261   HH21  ARG  32          HH21      ARG  32   3.447  18.139  -2.480
  262   HH22  ARG  32          HH22      ARG  32   4.127  18.962  -3.844
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  -2.278  10.616  -0.112
    2    H2   GLY   1           2HT      GLY   1  -2.838  12.163   0.283
    3    H3   GLY   1           3HT      GLY   1  -3.764  10.802   0.687
    4    HA2  GLY   1           HA1      GLY   1  -2.305  11.977   2.484
    5    HA3  GLY   1           HA2      GLY   1  -2.436  10.223   2.439
    6    H    LEU   2           H        LEU   2  -0.253  12.229   3.242
    7    HA   LEU   2           HA       LEU   2   1.881  11.762   1.399
    8    HB2  LEU   2           HB2      LEU   2   1.791  12.892   4.188
    9    HB3  LEU   2           HB1      LEU   2   3.299  12.662   3.327
   10    HG   LEU   2           HG       LEU   2   2.715  14.940   3.075
   11   HD11  LEU   2          HD11      LEU   2   1.727  14.538   0.467
   12   HD12  LEU   2          HD12      LEU   2   2.804  13.190   0.833
   13   HD13  LEU   2          HD13      LEU   2   3.387  14.848   0.974
   14   HD21  LEU   2          HD21      LEU   2   0.306  14.631   3.683
   15   HD22  LEU   2          HD22      LEU   2   0.012  14.150   2.011
   16   HD23  LEU   2          HD23      LEU   2   0.603  15.772   2.371
   17    H    LEU   3           H        LEU   3   1.033  10.456   4.583
   18    HA   LEU   3           HA       LEU   3   3.271   8.669   4.616
   19    HB2  LEU   3           HB2      LEU   3   0.844   8.934   6.379
   20    HB3  LEU   3           HB1      LEU   3   2.045   7.683   6.616
   21    HG   LEU   3           HG       LEU   3   2.555   9.389   8.163
   22   HD11  LEU   3          HD11      LEU   3   4.340   8.765   6.051
   23   HD12  LEU   3          HD12      LEU   3   4.706   9.157   7.731
   24   HD13  LEU   3          HD13      LEU   3   4.606  10.442   6.527
   25   HD21  LEU   3          HD21      LEU   3   3.109  11.749   7.108
   26   HD22  LEU   3          HD22      LEU   3   1.478  11.321   7.624
   27   HD23  LEU   3          HD23      LEU   3   1.916  11.225   5.919
   28    H    CYS   4           H        CYS   4   3.400   6.663   3.897
   29    HA   CYS   4           HA       CYS   4   1.162   5.502   2.472
   30    HB2  CYS   4           HB2      CYS   4   3.924   4.344   2.890
   31    HB3  CYS   4           HB1      CYS   4   2.752   3.883   1.663
   32    H    TYR   5           H        TYR   5   0.651   3.119   2.854
   33    HA   TYR   5           HA       TYR   5   1.220   2.201   5.540
   34    HB2  TYR   5           HB2      TYR   5  -1.306   1.810   5.918
   35    HB3  TYR   5           HB1      TYR   5  -0.634   3.406   6.213
   36    HD1  TYR   5           HD1      TYR   5  -1.664   1.817   2.980
   37    HD2  TYR   5           HD2      TYR   5  -2.375   4.880   5.846
   38    HE1  TYR   5           HE1      TYR   5  -3.362   2.801   1.501
   39    HE2  TYR   5           HE2      TYR   5  -4.073   5.870   4.373
   40    HH   TYR   5           HH       TYR   5  -4.949   5.851   2.300
   41    H    CYS   6           H        CYS   6   0.881   0.106   5.961
   42    HA   CYS   6           HA       CYS   6   0.971  -1.661   3.707
   43    HB2  CYS   6           HB2      CYS   6   2.383  -2.068   5.640
   44    HB3  CYS   6           HB1      CYS   6   0.977  -2.143   6.693
   45    H    ARG   7           H        ARG   7  -0.735  -2.785   2.858
   46    HA   ARG   7           HA       ARG   7  -3.189  -2.987   4.486
   47    HB2  ARG   7           HB2      ARG   7  -3.208  -2.527   1.501
   48    HB3  ARG   7           HB1      ARG   7  -4.576  -2.488   2.600
   49    HG2  ARG   7           HG2      ARG   7  -2.341  -0.481   2.416
   50    HG3  ARG   7           HG1      ARG   7  -4.025  -0.252   1.944
   51    HD2  ARG   7           HD2      ARG   7  -3.077  -0.808   4.752
   52    HD3  ARG   7           HD1      ARG   7  -3.451   0.790   4.115
   53    HE   ARG   7           HE       ARG   7  -5.713  -0.704   3.690
   54   HH11  ARG   7          HH11      ARG   7  -3.758   0.115   6.459
   55   HH12  ARG   7          HH12      ARG   7  -5.096   0.195   7.559
   56   HH21  ARG   7          HH21      ARG   7  -7.508  -0.604   5.138
   57   HH22  ARG   7          HH22      ARG   7  -7.237  -0.219   6.802
   58    H    LYS   8           H        LYS   8  -4.180  -4.953   4.448
   59    HA   LYS   8           HA       LYS   8  -2.767  -7.170   3.404
   60    HB2  LYS   8           HB2      LYS   8  -4.088  -7.330   5.466
   61    HB3  LYS   8           HB1      LYS   8  -5.560  -7.024   4.560
   62    HG2  LYS   8           HG2      LYS   8  -5.284  -9.106   3.350
   63    HG3  LYS   8           HG1      LYS   8  -3.752  -9.401   4.176
   64    HD2  LYS   8           HD2      LYS   8  -4.957  -9.446   6.329
   65    HD3  LYS   8           HD1      LYS   8  -6.477  -9.229   5.460
   66    HE2  LYS   8           HE2      LYS   8  -6.107 -11.327   4.272
   67    HE3  LYS   8           HE1      LYS   8  -4.569 -11.539   5.108
   68    HZ1  LYS   8           HZ1      LYS   8  -7.280 -11.556   6.312
   69    HZ2  LYS   8           HZ2      LYS   8  -5.854 -11.537   7.219
   70    HZ3  LYS   8           HZ3      LYS   8  -6.195 -12.850   6.209
   71    H    GLY   9           H        GLY   9  -2.880  -8.054   1.509
   72    HA2  GLY   9           HA2      GLY   9  -3.656  -8.728  -0.558
   73    HA3  GLY   9           HA1      GLY   9  -5.261  -8.193  -0.077
   74    H    HIS  10           H        HIS  10  -5.832  -7.057  -1.887
   75    HA   HIS  10           HA       HIS  10  -4.096  -5.314  -3.285
   76    HB2  HIS  10           HB2      HIS  10  -7.084  -5.656  -3.258
   77    HB3  HIS  10           HB1      HIS  10  -6.340  -4.340  -4.158
   78    HD1  HIS  10           HD1      HIS  10  -7.727  -5.989  -6.021
   79    HD2  HIS  10           HD2      HIS  10  -3.993  -7.177  -4.624
   80    HE1  HIS  10           HE1      HIS  10  -6.867  -7.639  -7.713
   81    H    CYS  11           H        CYS  11  -3.887  -3.097  -3.241
   82    HA   CYS  11           HA       CYS  11  -3.741  -1.799  -0.853
   83    HB2  CYS  11           HB2      CYS  11  -4.285  -0.519  -3.534
   84    HB3  CYS  11           HB1      CYS  11  -3.641   0.297  -2.112
   85    H    LYS  12           H        LYS  12  -4.980  -0.545   0.395
   86    HA   LYS  12           HA       LYS  12  -7.835  -0.343  -0.306
   87    HB2  LYS  12           HB2      LYS  12  -6.566  -0.340   2.444
   88    HB3  LYS  12           HB1      LYS  12  -8.287  -0.262   2.103
   89    HG2  LYS  12           HG2      LYS  12  -6.500  -2.586   1.413
   90    HG3  LYS  12           HG1      LYS  12  -7.534  -2.489   2.839
   91    HD2  LYS  12           HD2      LYS  12  -9.487  -2.205   1.303
   92    HD3  LYS  12           HD1      LYS  12  -8.399  -2.521  -0.050
   93    HE2  LYS  12           HE2      LYS  12  -8.929  -4.400   2.252
   94    HE3  LYS  12           HE1      LYS  12  -9.639  -4.531   0.645
   95    HZ1  LYS  12           HZ1      LYS  12  -7.027  -5.316   1.561
   96    HZ2  LYS  12           HZ2      LYS  12  -6.980  -4.408   0.132
   97    HZ3  LYS  12           HZ3      LYS  12  -7.900  -5.825   0.206
   98    H    ARG  13           H        ARG  13  -8.485   1.642  -0.774
   99    HA   ARG  13           HA       ARG  13  -8.765   3.887  -0.787
  100    HB2  ARG  13           HB2      ARG  13  -8.754   3.811   1.653
  101    HB3  ARG  13           HB1      ARG  13  -6.997   3.883   1.664
  102    HG2  ARG  13           HG2      ARG  13  -7.936   6.046   2.198
  103    HG3  ARG  13           HG1      ARG  13  -7.089   6.115   0.653
  104    HD2  ARG  13           HD2      ARG  13  -9.174   7.322   0.490
  105    HD3  ARG  13           HD1      ARG  13  -9.251   5.872  -0.510
  106    HE   ARG  13           HE       ARG  13 -10.306   5.316   2.043
  107   HH11  ARG  13          HH11      ARG  13 -11.064   7.078  -0.875
  108   HH12  ARG  13          HH12      ARG  13 -12.779   6.977  -0.656
  109   HH21  ARG  13          HH21      ARG  13 -12.578   5.175   2.354
  110   HH22  ARG  13          HH22      ARG  13 -13.643   5.891   1.191
  111    H    GLY  14           H        GLY  14  -5.378   3.030  -0.087
  112    HA2  GLY  14           HA2      GLY  14  -4.171   5.253  -1.283
  113    HA3  GLY  14           HA1      GLY  14  -3.414   3.681  -1.078
  114    H    GLY  15           H        GLY  15  -5.131   2.166  -2.692
  115    HA2  GLY  15           HA2      GLY  15  -5.652   1.651  -4.872
  116    HA3  GLY  15           HA1      GLY  15  -5.364   3.328  -5.295
  117    H    ARG  16           H        ARG  16  -2.791   3.804  -4.899
  118    HA   ARG  16           HA       ARG  16  -1.541   2.017  -6.814
  119    HB2  ARG  16           HB2      ARG  16  -1.435   4.480  -7.123
  120    HB3  ARG  16           HB1      ARG  16  -0.475   4.593  -5.654
  121    HG2  ARG  16           HG2      ARG  16   0.877   4.672  -7.719
  122    HG3  ARG  16           HG1      ARG  16   1.310   3.334  -6.653
  123    HD2  ARG  16           HD2      ARG  16   1.245   2.585  -8.963
  124    HD3  ARG  16           HD1      ARG  16  -0.035   1.811  -8.030
  125    HE   ARG  16           HE       ARG  16  -1.589   2.850  -9.347
  126   HH11  ARG  16          HH11      ARG  16   1.525   4.347  -9.892
  127   HH12  ARG  16          HH12      ARG  16   0.966   5.350 -11.188
  128   HH21  ARG  16          HH21      ARG  16  -2.342   4.174 -11.058
  129   HH22  ARG  16          HH22      ARG  16  -1.244   5.253 -11.855
  130    H    VAL  17           H        VAL  17  -0.330   0.421  -6.246
  131    HA   VAL  17           HA       VAL  17   0.526  -0.017  -3.570
  132    HB   VAL  17           HB       VAL  17  -0.091  -1.916  -4.908
  133   HG11  VAL  17          HG11      VAL  17   1.794  -0.751  -6.850
  134   HG12  VAL  17          HG21      VAL  17   0.295  -1.644  -7.113
  135   HG13  VAL  17          3HG1      VAL  17   1.784  -2.511  -6.736
  136   HG21  VAL  17          HG12      VAL  17   2.418  -3.008  -4.907
  137   HG22  VAL  17          HG22      VAL  17   1.324  -2.938  -3.526
  138   HG23  VAL  17          HG23      VAL  17   2.561  -1.699  -3.735
  139    H    ARG  18           H        ARG  18   2.476   0.165  -2.668
  140    HA   ARG  18           HA       ARG  18   4.502   1.667  -4.154
  141    HB2  ARG  18           HB2      ARG  18   3.666   2.592  -2.008
  142    HB3  ARG  18           HB1      ARG  18   4.235   1.150  -1.184
  143    HG2  ARG  18           HG2      ARG  18   5.740   3.052  -0.887
  144    HG3  ARG  18           HG1      ARG  18   6.528   1.707  -1.717
  145    HD2  ARG  18           HD2      ARG  18   5.254   3.933  -3.264
  146    HD3  ARG  18           HD1      ARG  18   6.876   4.120  -2.595
  147    HE   ARG  18           HE       ARG  18   6.692   1.692  -4.039
  148   HH11  ARG  18          HH11      ARG  18   6.906   5.151  -4.524
  149   HH12  ARG  18          HH12      ARG  18   7.612   5.018  -6.099
  150   HH21  ARG  18          HH21      ARG  18   7.612   1.504  -6.110
  151   HH22  ARG  18          HH22      ARG  18   8.015   2.929  -7.009
  152    H    GLY  19           H        GLY  19   3.861  -1.332  -2.518
  153    HA2  GLY  19           HA2      GLY  19   5.782  -2.831  -3.822
  154    HA3  GLY  19           HA1      GLY  19   6.553  -2.258  -2.349
  155    H    THR  20           H        THR  20   6.611  -4.679  -2.009
  156    HA   THR  20           HA       THR  20   4.083  -5.847  -1.197
  157    HB   THR  20           HB       THR  20   5.730  -7.788  -0.569
  158    HG1  THR  20           HG1      THR  20   7.692  -7.674  -1.595
  159   HG21  THR  20          HG12      THR  20   4.239  -7.141  -2.823
  160   HG22  THR  20          HG22      THR  20   4.934  -8.717  -2.441
  161   HG23  THR  20          HG23      THR  20   5.823  -7.585  -3.461
  162    H    CYS  21           H        CYS  21   3.517  -6.390   0.892
  163    HA   CYS  21           HA       CYS  21   5.243  -5.271   3.005
  164    HB2  CYS  21           HB2      CYS  21   3.066  -4.106   2.712
  165    HB3  CYS  21           HB1      CYS  21   2.241  -5.621   3.061
  166    H    GLY  22           H        GLY  22   5.852  -7.745   2.130
  167    HA2  GLY  22           HA2      GLY  22   6.447  -9.701   3.295
  168    HA3  GLY  22           HA1      GLY  22   5.144  -9.390   4.433
  169    H    ILE  23           H        ILE  23   3.995 -11.252   4.346
  170    HA   ILE  23           HA       ILE  23   3.299 -12.330   1.720
  171    HB   ILE  23           HB       ILE  23   2.405 -14.283   3.031
  172   HG12  ILE  23          HG21      ILE  23   3.866 -12.940   5.320
  173   HG13  ILE  23          HG11      ILE  23   2.116 -13.075   5.184
  174   HG21  ILE  23          HG12      ILE  23   5.089 -14.479   3.906
  175   HG22  ILE  23          HG22      ILE  23   5.079 -13.529   2.421
  176   HG23  ILE  23          HG23      ILE  23   4.362 -15.139   2.441
  177   HD11  ILE  23          HD11      ILE  23   2.930 -15.672   4.921
  178   HD12  ILE  23          HD12      ILE  23   2.353 -14.917   6.407
  179   HD13  ILE  23          HD13      ILE  23   4.085 -15.020   6.084
  180    H    ARG  24           H        ARG  24   1.391 -12.102   0.850
  181    HA   ARG  24           HA       ARG  24  -0.780 -11.587   0.471
  182    HB2  ARG  24           HB2      ARG  24  -1.107 -12.409   3.359
  183    HB3  ARG  24           HB1      ARG  24  -2.432 -12.144   2.236
  184    HG2  ARG  24           HG2      ARG  24  -0.271 -14.215   1.905
  185    HG3  ARG  24           HG1      ARG  24  -1.890 -14.520   2.537
  186    HD2  ARG  24           HD2      ARG  24  -2.851 -13.761   0.410
  187    HD3  ARG  24           HD1      ARG  24  -1.227 -13.484  -0.218
  188    HE   ARG  24           HE       ARG  24  -1.377 -16.132   0.656
  189   HH11  ARG  24          HH11      ARG  24  -2.771 -14.104  -1.829
  190   HH12  ARG  24          HH12      ARG  24  -2.987 -15.400  -2.955
  191   HH21  ARG  24          HH21      ARG  24  -1.661 -17.859  -0.827
  192   HH22  ARG  24          HH22      ARG  24  -2.354 -17.544  -2.382
  193    H    PHE  25           H        PHE  25   1.107  -9.547   1.713
  194    HA   PHE  25           HA       PHE  25  -0.975  -7.569   2.306
  195    HB2  PHE  25           HB2      PHE  25   1.501  -8.146   3.908
  196    HB3  PHE  25           HB1      PHE  25   0.856  -6.513   3.850
  197    HD1  PHE  25           HD1      PHE  25  -0.338 -10.002   4.491
  198    HD2  PHE  25           HD2      PHE  25  -0.578  -5.876   5.499
  199    HE1  PHE  25           HE1      PHE  25  -1.905 -10.541   6.309
  200    HE2  PHE  25           HE2      PHE  25  -2.144  -6.407   7.319
  201    HZ   PHE  25           HZ       PHE  25  -2.813  -8.740   7.723
  202    H    LEU  26           H        LEU  26  -0.652  -5.602   1.370
  203    HA   LEU  26           HA       LEU  26   1.830  -5.286  -0.185
  204    HB2  LEU  26           HB2      LEU  26  -1.015  -4.794  -0.964
  205    HB3  LEU  26           HB1      LEU  26   0.249  -3.818  -1.676
  206    HG   LEU  26           HG       LEU  26   1.332  -5.952  -2.467
  207   HD11  LEU  26          HD11      LEU  26  -1.273  -7.335  -2.136
  208   HD12  LEU  26          HD12      LEU  26  -0.177  -7.280  -0.755
  209   HD13  LEU  26          HD13      LEU  26   0.355  -7.999  -2.275
  210   HD21  LEU  26          HD21      LEU  26   0.373  -5.156  -4.308
  211   HD22  LEU  26          HD22      LEU  26  -1.073  -4.649  -3.433
  212   HD23  LEU  26          HD23      LEU  26  -0.926  -6.309  -4.006
  213    H    TYR  27           H        TYR  27   2.854  -3.405  -0.042
  214    HA   TYR  27           HA       TYR  27   1.887  -1.461   1.909
  215    HB2  TYR  27           HB2      TYR  27   4.264  -2.335   1.928
  216    HB3  TYR  27           HB1      TYR  27   4.513  -1.519   0.391
  217    HD1  TYR  27           HD1      TYR  27   2.913  -0.496   3.616
  218    HD2  TYR  27           HD2      TYR  27   5.866   0.317   0.664
  219    HE1  TYR  27           HE1      TYR  27   3.547   1.550   4.821
  220    HE2  TYR  27           HE2      TYR  27   6.507   2.366   1.861
  221    HH   TYR  27           HH       TYR  27   6.361   3.212   4.275
  222    H    CYS  28           H        CYS  28   0.803   0.339   1.192
  223    HA   CYS  28           HA       CYS  28   1.380   1.221  -1.556
  224    HB2  CYS  28           HB2      CYS  28  -1.428   1.186  -0.482
  225    HB3  CYS  28           HB1      CYS  28  -0.885   1.354  -2.149
  226    H    CYS  29           H        CYS  29   0.924   3.388  -2.035
  227    HA   CYS  29           HA       CYS  29   0.791   5.124   0.341
  228    HB2  CYS  29           HB2      CYS  29   1.997   5.697  -2.378
  229    HB3  CYS  29           HB1      CYS  29   1.993   6.797  -1.003
  230    HA   PRO  30           HA       PRO  30  -3.186   6.258  -1.321
  231    HB2  PRO  30           HB2      PRO  30  -3.712   8.261   0.449
  232    HB3  PRO  30           HB1      PRO  30  -3.895   6.546   0.834
  233    HG2  PRO  30           HG2      PRO  30  -1.654   8.410   1.500
  234    HG3  PRO  30           HG1      PRO  30  -2.409   7.160   2.505
  235    HD2  PRO  30           HD2      PRO  30  -0.040   6.791   1.242
  236    HD3  PRO  30           HD1      PRO  30  -1.184   5.467   1.540
  237    H    ARG  31           H        ARG  31  -3.092   7.270  -3.247
  238    HA   ARG  31           HA       ARG  31  -1.754   9.846  -3.466
  239    HB2  ARG  31           HB2      ARG  31  -1.476   8.062  -5.213
  240    HB3  ARG  31           HB1      ARG  31  -3.168   8.282  -5.636
  241    HG2  ARG  31           HG2      ARG  31  -1.479   9.460  -7.097
  242    HG3  ARG  31           HG1      ARG  31  -2.788  10.456  -6.461
  243    HD2  ARG  31           HD2      ARG  31  -0.684  11.642  -6.280
  244    HD3  ARG  31           HD1      ARG  31  -1.294  11.248  -4.675
  245    HE   ARG  31           HE       ARG  31   0.558   9.959  -4.323
  246   HH11  ARG  31          HH11      ARG  31   0.293  10.612  -7.750
  247   HH12  ARG  31          HH12      ARG  31   1.820   9.896  -8.140
  248   HH21  ARG  31          HH21      ARG  31   2.574   9.004  -4.824
  249   HH22  ARG  31          HH22      ARG  31   3.123   8.975  -6.468
  250    H    ARG  32           H        ARG  32  -3.982   9.725  -1.801
  251    HA   ARG  32           HA       ARG  32  -5.497  11.925  -2.766
  252    HB2  ARG  32           HB2      ARG  32  -6.690  10.062  -3.904
  253    HB3  ARG  32           HB1      ARG  32  -6.954   9.299  -2.343
  254    HG2  ARG  32           HG2      ARG  32  -8.931  10.502  -3.183
  255    HG3  ARG  32           HG1      ARG  32  -8.358  11.118  -1.633
  256    HD2  ARG  32           HD2      ARG  32  -7.206  12.945  -2.799
  257    HD3  ARG  32           HD1      ARG  32  -7.804  12.333  -4.340
  258    HE   ARG  32           HE       ARG  32  -9.230  13.914  -2.434
  259   HH11  ARG  32          HH11      ARG  32  -9.597  11.519  -4.957
  260   HH12  ARG  32          HH12      ARG  32 -11.254  11.913  -5.277
  261   HH21  ARG  32          HH21      ARG  32 -11.422  14.445  -2.845
  262   HH22  ARG  32          HH22      ARG  32 -12.297  13.586  -4.069
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1   8.052   6.776  -1.613
    2    H2   GLY   1           2HT      GLY   1   7.942   8.338  -0.988
    3    H3   GLY   1           3HT      GLY   1   6.889   7.848  -2.226
    4    HA2  GLY   1           HA1      GLY   1   5.503   7.609  -0.470
    5    HA3  GLY   1           HA2      GLY   1   6.244   6.014  -0.504
    6    H    LEU   2           H        LEU   2   5.125   7.840   1.655
    7    HA   LEU   2           HA       LEU   2   7.237   7.306   3.593
    8    HB2  LEU   2           HB2      LEU   2   5.984  10.017   3.146
    9    HB3  LEU   2           HB1      LEU   2   6.786   9.581   4.641
   10    HG   LEU   2           HG       LEU   2   8.111   9.656   1.926
   11   HD11  LEU   2          HD11      LEU   2   7.569  11.888   2.595
   12   HD12  LEU   2          HD12      LEU   2   9.290  11.632   2.882
   13   HD13  LEU   2          HD13      LEU   2   8.155  11.595   4.232
   14   HD21  LEU   2          HD21      LEU   2   9.601   9.619   4.498
   15   HD22  LEU   2          HD22      LEU   2  10.065   9.002   2.913
   16   HD23  LEU   2          HD23      LEU   2   8.920   8.103   3.907
   17    H    LEU   3           H        LEU   3   4.060   8.892   3.308
   18    HA   LEU   3           HA       LEU   3   3.152   7.567   5.735
   19    HB2  LEU   3           HB2      LEU   3   1.749   9.540   3.923
   20    HB3  LEU   3           HB1      LEU   3   1.116   8.934   5.442
   21    HG   LEU   3           HG       LEU   3   3.604  10.620   5.130
   22   HD11  LEU   3          HD11      LEU   3   2.316  12.385   6.160
   23   HD12  LEU   3          HD12      LEU   3   0.906  11.331   6.269
   24   HD13  LEU   3          HD13      LEU   3   1.511  11.836   4.691
   25   HD21  LEU   3          HD21      LEU   3   3.906  10.524   7.413
   26   HD22  LEU   3          HD22      LEU   3   3.381   8.879   7.059
   27   HD23  LEU   3          HD23      LEU   3   2.237  10.045   7.723
   28    H    CYS   4           H        CYS   4   3.687   5.677   4.014
   29    HA   CYS   4           HA       CYS   4   1.370   5.015   2.404
   30    HB2  CYS   4           HB2      CYS   4   3.881   3.408   2.878
   31    HB3  CYS   4           HB1      CYS   4   2.695   3.165   1.600
   32    H    TYR   5           H        TYR   5   0.480   2.781   2.542
   33    HA   TYR   5           HA       TYR   5   0.531   1.655   5.231
   34    HB2  TYR   5           HB2      TYR   5  -2.040   1.421   5.015
   35    HB3  TYR   5           HB1      TYR   5  -1.375   2.970   5.512
   36    HD1  TYR   5           HD1      TYR   5  -2.503   1.169   2.427
   37    HD2  TYR   5           HD2      TYR   5  -2.082   4.894   4.439
   38    HE1  TYR   5           HE1      TYR   5  -3.720   2.282   0.605
   39    HE2  TYR   5           HE2      TYR   5  -3.297   6.018   2.621
   40    HH   TYR   5           HH       TYR   5  -5.048   4.332   0.254
   41    H    CYS   6           H        CYS   6   0.655  -0.471   5.236
   42    HA   CYS   6           HA       CYS   6   0.400  -1.801   2.670
   43    HB2  CYS   6           HB2      CYS   6   1.636  -3.617   3.625
   44    HB3  CYS   6           HB1      CYS   6   2.461  -2.108   3.970
   45    H    ARG   7           H        ARG   7  -1.116  -3.307   2.196
   46    HA   ARG   7           HA       ARG   7  -2.888  -4.234   4.348
   47    HB2  ARG   7           HB2      ARG   7  -3.685  -2.799   1.835
   48    HB3  ARG   7           HB1      ARG   7  -4.764  -3.997   2.529
   49    HG2  ARG   7           HG2      ARG   7  -5.509  -1.955   3.378
   50    HG3  ARG   7           HG1      ARG   7  -4.586  -2.672   4.697
   51    HD2  ARG   7           HD2      ARG   7  -2.640  -1.294   4.019
   52    HD3  ARG   7           HD1      ARG   7  -3.647  -0.524   2.795
   53    HE   ARG   7           HE       ARG   7  -4.591   0.761   4.428
   54   HH11  ARG   7          HH11      ARG   7  -2.837  -1.861   5.958
   55   HH12  ARG   7          HH12      ARG   7  -3.161  -1.302   7.569
   56   HH21  ARG   7          HH21      ARG   7  -4.998   1.508   6.555
   57   HH22  ARG   7          HH22      ARG   7  -4.386   0.618   7.908
   58    H    LYS   8           H        LYS   8  -3.562  -6.318   4.145
   59    HA   LYS   8           HA       LYS   8  -2.135  -7.964   2.310
   60    HB2  LYS   8           HB2      LYS   8  -2.699  -8.615   4.661
   61    HB3  LYS   8           HB1      LYS   8  -4.377  -8.770   4.163
   62    HG2  LYS   8           HG2      LYS   8  -2.254 -10.305   2.731
   63    HG3  LYS   8           HG1      LYS   8  -2.850 -10.869   4.290
   64    HD2  LYS   8           HD2      LYS   8  -4.890 -11.437   3.456
   65    HD3  LYS   8           HD1      LYS   8  -4.883 -10.133   2.265
   66    HE2  LYS   8           HE2      LYS   8  -3.269 -12.679   2.106
   67    HE3  LYS   8           HE1      LYS   8  -4.742 -12.335   1.200
   68    HZ1  LYS   8           HZ1      LYS   8  -3.074 -11.800  -0.287
   69    HZ2  LYS   8           HZ2      LYS   8  -2.065 -11.132   0.898
   70    HZ3  LYS   8           HZ3      LYS   8  -3.441 -10.287   0.382
   71    H    GLY   9           H        GLY   9  -5.502  -7.053   2.676
   72    HA2  GLY   9           HA2      GLY   9  -6.449  -8.683   0.548
   73    HA3  GLY   9           HA1      GLY   9  -7.336  -7.383   1.326
   74    H    HIS  10           H        HIS  10  -6.282  -5.132   0.733
   75    HA   HIS  10           HA       HIS  10  -5.130  -4.787  -1.814
   76    HB2  HIS  10           HB2      HIS  10  -7.367  -5.651  -2.530
   77    HB3  HIS  10           HB1      HIS  10  -8.123  -4.301  -1.697
   78    HD1  HIS  10           HD1      HIS  10  -7.470  -1.846  -2.720
   79    HD2  HIS  10           HD2      HIS  10  -6.691  -5.166  -5.111
   80    HE1  HIS  10           HE1      HIS  10  -7.179  -0.951  -5.050
   81    H    CYS  11           H        CYS  11  -4.758  -2.591  -2.269
   82    HA   CYS  11           HA       CYS  11  -4.374  -0.882  -0.140
   83    HB2  CYS  11           HB2      CYS  11  -4.940   0.097  -2.932
   84    HB3  CYS  11           HB1      CYS  11  -3.871   0.801  -1.724
   85    H    LYS  12           H        LYS  12  -5.500   0.794   0.755
   86    HA   LYS  12           HA       LYS  12  -8.375   0.797   0.252
   87    HB2  LYS  12           HB2      LYS  12  -6.709   1.859   2.534
   88    HB3  LYS  12           HB1      LYS  12  -8.435   2.160   2.389
   89    HG2  LYS  12           HG2      LYS  12  -7.173  -0.571   2.554
   90    HG3  LYS  12           HG1      LYS  12  -7.897   0.297   3.909
   91    HD2  LYS  12           HD2      LYS  12 -10.047   0.337   2.699
   92    HD3  LYS  12           HD1      LYS  12  -9.309  -0.590   1.392
   93    HE2  LYS  12           HE2      LYS  12  -8.883  -2.436   2.917
   94    HE3  LYS  12           HE1      LYS  12  -9.555  -1.506   4.255
   95    HZ1  LYS  12           HZ1      LYS  12 -11.598  -2.113   3.689
   96    HZ2  LYS  12           HZ2      LYS  12 -10.923  -3.201   2.585
   97    HZ3  LYS  12           HZ3      LYS  12 -11.378  -1.653   2.076
   98    H    ARG  13           H        ARG  13  -9.477   2.533  -0.453
   99    HA   ARG  13           HA       ARG  13  -9.930   4.512  -1.448
  100    HB2  ARG  13           HB2      ARG  13  -7.536   5.483   0.129
  101    HB3  ARG  13           HB1      ARG  13  -8.696   6.519  -0.691
  102    HG2  ARG  13           HG2      ARG  13 -10.460   5.791   0.773
  103    HG3  ARG  13           HG1      ARG  13  -9.395   4.604   1.524
  104    HD2  ARG  13           HD2      ARG  13  -9.580   6.518   2.968
  105    HD3  ARG  13           HD1      ARG  13  -7.949   6.450   2.306
  106    HE   ARG  13           HE       ARG  13  -8.311   8.477   1.344
  107   HH11  ARG  13          HH11      ARG  13 -11.436   7.089   2.121
  108   HH12  ARG  13          HH12      ARG  13 -12.326   8.485   1.613
  109   HH21  ARG  13          HH21      ARG  13  -9.488  10.326   0.678
  110   HH22  ARG  13          HH22      ARG  13 -11.217  10.328   0.789
  111    H    GLY  14           H        GLY  14  -7.674   6.471  -2.088
  112    HA2  GLY  14           HA2      GLY  14  -7.079   5.342  -4.682
  113    HA3  GLY  14           HA1      GLY  14  -6.704   6.969  -4.138
  114    H    GLY  15           H        GLY  15  -5.804   3.856  -2.701
  115    HA2  GLY  15           HA2      GLY  15  -3.042   4.741  -2.569
  116    HA3  GLY  15           HA1      GLY  15  -3.708   3.288  -1.842
  117    H    ARG  16           H        ARG  16  -1.395   4.039  -3.766
  118    HA   ARG  16           HA       ARG  16  -1.958   1.963  -5.768
  119    HB2  ARG  16           HB2      ARG  16  -0.062   4.316  -5.880
  120    HB3  ARG  16           HB1      ARG  16  -0.087   3.024  -7.074
  121    HG2  ARG  16           HG2      ARG  16  -2.331   4.934  -6.451
  122    HG3  ARG  16           HG1      ARG  16  -1.318   4.925  -7.897
  123    HD2  ARG  16           HD2      ARG  16  -2.183   2.736  -8.511
  124    HD3  ARG  16           HD1      ARG  16  -3.149   2.685  -7.039
  125    HE   ARG  16           HE       ARG  16  -4.720   3.956  -8.077
  126   HH11  ARG  16          HH11      ARG  16  -1.726   4.277  -9.864
  127   HH12  ARG  16          HH12      ARG  16  -2.425   5.242 -11.120
  128   HH21  ARG  16          HH21      ARG  16  -5.652   5.225  -9.737
  129   HH22  ARG  16          HH22      ARG  16  -4.665   5.783 -11.047
  130    H    VAL  17           H        VAL  17  -0.595   0.276  -5.952
  131    HA   VAL  17           HA       VAL  17   0.902  -0.513  -3.724
  132    HB   VAL  17           HB       VAL  17   1.719  -2.384  -5.162
  133   HG11  VAL  17          HG11      VAL  17  -0.148  -3.348  -4.452
  134   HG12  VAL  17          HG21      VAL  17  -1.004  -2.694  -5.849
  135   HG13  VAL  17          3HG1      VAL  17  -0.942  -1.778  -4.344
  136   HG21  VAL  17          HG12      VAL  17   1.807  -1.157  -7.291
  137   HG22  VAL  17          HG22      VAL  17   0.047  -1.062  -7.299
  138   HG23  VAL  17          HG23      VAL  17   0.846  -2.629  -7.419
  139    H    ARG  18           H        ARG  18   3.013  -0.548  -3.246
  140    HA   ARG  18           HA       ARG  18   4.910   0.653  -5.147
  141    HB2  ARG  18           HB2      ARG  18   4.258   1.520  -2.396
  142    HB3  ARG  18           HB1      ARG  18   5.972   1.424  -2.769
  143    HG2  ARG  18           HG2      ARG  18   5.284   3.648  -3.188
  144    HG3  ARG  18           HG1      ARG  18   5.530   2.883  -4.757
  145    HD2  ARG  18           HD2      ARG  18   3.146   2.563  -5.010
  146    HD3  ARG  18           HD1      ARG  18   2.860   3.206  -3.395
  147    HE   ARG  18           HE       ARG  18   2.997   5.314  -4.256
  148   HH11  ARG  18          HH11      ARG  18   4.403   3.094  -6.567
  149   HH12  ARG  18          HH12      ARG  18   4.708   4.320  -7.750
  150   HH21  ARG  18          HH21      ARG  18   3.377   6.931  -5.800
  151   HH22  ARG  18          HH22      ARG  18   4.122   6.516  -7.313
  152    H    GLY  19           H        GLY  19   4.290  -1.550  -2.500
  153    HA2  GLY  19           HA2      GLY  19   6.433  -3.267  -3.346
  154    HA3  GLY  19           HA1      GLY  19   6.755  -2.484  -1.805
  155    H    THR  20           H        THR  20   6.710  -4.453  -0.683
  156    HA   THR  20           HA       THR  20   4.006  -5.556  -0.331
  157    HB   THR  20           HB       THR  20   5.284  -7.739   0.262
  158    HG1  THR  20           HG1      THR  20   7.273  -7.953  -0.747
  159   HG21  THR  20          HG12      THR  20   4.815  -6.678  -2.509
  160   HG22  THR  20          HG22      THR  20   3.841  -7.821  -1.582
  161   HG23  THR  20          HG23      THR  20   5.400  -8.320  -2.239
  162    H    CYS  21           H        CYS  21   3.378  -6.042   1.742
  163    HA   CYS  21           HA       CYS  21   5.008  -4.889   3.870
  164    HB2  CYS  21           HB2      CYS  21   2.527  -4.414   3.601
  165    HB3  CYS  21           HB1      CYS  21   2.243  -6.066   4.128
  166    H    GLY  22           H        GLY  22   6.073  -7.210   2.782
  167    HA2  GLY  22           HA2      GLY  22   7.201  -8.932   4.017
  168    HA3  GLY  22           HA1      GLY  22   5.779  -9.065   5.044
  169    H    ILE  23           H        ILE  23   5.136 -11.116   4.773
  170    HA   ILE  23           HA       ILE  23   5.161 -12.326   2.144
  171    HB   ILE  23           HB       ILE  23   5.933 -13.720   3.913
  172   HG12  ILE  23          HG21      ILE  23   3.149 -14.633   3.154
  173   HG13  ILE  23          HG11      ILE  23   4.583 -14.814   2.150
  174   HG21  ILE  23          HG12      ILE  23   4.083 -14.412   5.675
  175   HG22  ILE  23          HG22      ILE  23   3.496 -12.786   5.323
  176   HG23  ILE  23          HG23      ILE  23   5.137 -13.019   5.924
  177   HD11  ILE  23          HD11      ILE  23   3.586 -16.592   4.065
  178   HD12  ILE  23          HD12      ILE  23   5.071 -15.924   4.743
  179   HD13  ILE  23          HD13      ILE  23   5.098 -16.709   3.164
  180    H    ARG  24           H        ARG  24   3.549 -12.198   0.791
  181    HA   ARG  24           HA       ARG  24   1.502 -12.023  -0.149
  182    HB2  ARG  24           HB2      ARG  24   0.939 -13.540   2.345
  183    HB3  ARG  24           HB1      ARG  24  -0.432 -12.922   1.439
  184    HG2  ARG  24           HG2      ARG  24  -0.045 -15.156   0.736
  185    HG3  ARG  24           HG1      ARG  24   0.461 -14.093  -0.574
  186    HD2  ARG  24           HD2      ARG  24   2.792 -14.343   0.122
  187    HD3  ARG  24           HD1      ARG  24   2.287 -15.394   1.445
  188    HE   ARG  24           HE       ARG  24   1.314 -16.443  -0.971
  189   HH11  ARG  24          HH11      ARG  24   4.342 -15.979   0.718
  190   HH12  ARG  24          HH12      ARG  24   5.127 -17.319  -0.046
  191   HH21  ARG  24          HH21      ARG  24   2.340 -18.221  -1.983
  192   HH22  ARG  24          HH22      ARG  24   3.984 -18.600  -1.590
  193    H    PHE  25           H        PHE  25   2.470  -9.745   1.486
  194    HA   PHE  25           HA       PHE  25  -0.143  -8.450   1.931
  195    HB2  PHE  25           HB2      PHE  25   2.392  -8.279   3.524
  196    HB3  PHE  25           HB1      PHE  25   1.319  -6.890   3.460
  197    HD1  PHE  25           HD2      PHE  25   0.904 -10.583   3.937
  198    HD2  PHE  25           HD1      PHE  25   0.013  -6.653   5.298
  199    HE1  PHE  25           HE2      PHE  25  -0.424 -11.527   5.779
  200    HE2  PHE  25           HE1      PHE  25  -1.313  -7.588   7.145
  201    HZ   PHE  25           HZ       PHE  25  -1.534 -10.028   7.387
  202    H    LEU  26           H        LEU  26  -0.435  -6.460   0.937
  203    HA   LEU  26           HA       LEU  26   1.720  -5.660  -0.885
  204    HB2  LEU  26           HB2      LEU  26  -1.232  -5.040  -0.896
  205    HB3  LEU  26           HB1      LEU  26  -0.086  -4.310  -2.001
  206    HG   LEU  26           HG       LEU  26   0.471  -6.710  -2.731
  207   HD11  LEU  26          HD11      LEU  26  -1.213  -7.385  -0.661
  208   HD12  LEU  26          HD12      LEU  26  -0.689  -8.450  -1.966
  209   HD13  LEU  26          HD13      LEU  26  -2.223  -7.590  -2.093
  210   HD21  LEU  26          HD21      LEU  26  -0.708  -5.139  -4.140
  211   HD22  LEU  26          HD22      LEU  26  -2.223  -5.493  -3.312
  212   HD23  LEU  26          HD23      LEU  26  -1.438  -6.738  -4.283
  213    H    TYR  27           H        TYR  27   2.735  -3.759  -0.729
  214    HA   TYR  27           HA       TYR  27   1.937  -1.954   1.451
  215    HB2  TYR  27           HB2      TYR  27   4.287  -2.864   1.350
  216    HB3  TYR  27           HB1      TYR  27   4.508  -1.982  -0.154
  217    HD1  TYR  27           HD1      TYR  27   2.727  -0.746   2.860
  218    HD2  TYR  27           HD2      TYR  27   6.237  -0.521   0.471
  219    HE1  TYR  27           HE1      TYR  27   3.475   1.203   4.156
  220    HE2  TYR  27           HE2      TYR  27   6.993   1.434   1.754
  221    HH   TYR  27           HH       TYR  27   6.356   2.261   4.398
  222    H    CYS  28           H        CYS  28   0.646  -0.334   0.820
  223    HA   CYS  28           HA       CYS  28   0.985   0.730  -1.906
  224    HB2  CYS  28           HB2      CYS  28  -1.502   0.986  -0.231
  225    HB3  CYS  28           HB1      CYS  28  -1.333   1.180  -1.972
  226    H    CYS  29           H        CYS  29   0.914   2.920  -2.270
  227    HA   CYS  29           HA       CYS  29   1.104   4.654   0.108
  228    HB2  CYS  29           HB2      CYS  29   2.600   4.921  -2.514
  229    HB3  CYS  29           HB1      CYS  29   2.647   6.089  -1.199
  230    HA   PRO  30           HA       PRO  30  -2.427   6.738  -1.535
  231    HB2  PRO  30           HB2      PRO  30  -1.188   9.217  -0.475
  232    HB3  PRO  30           HB1      PRO  30  -2.772   8.513  -0.133
  233    HG2  PRO  30           HG2      PRO  30  -0.799   8.394   1.659
  234    HG3  PRO  30           HG1      PRO  30  -1.929   7.045   1.442
  235    HD2  PRO  30           HD2      PRO  30   0.891   7.331   0.491
  236    HD3  PRO  30           HD1      PRO  30   0.049   5.896   1.113
  237    H    ARG  31           H        ARG  31   0.703   8.380  -1.964
  238    HA   ARG  31           HA       ARG  31   0.011   8.867  -4.753
  239    HB2  ARG  31           HB2      ARG  31   0.612  11.005  -2.739
  240    HB3  ARG  31           HB1      ARG  31   1.114  11.227  -4.407
  241    HG2  ARG  31           HG2      ARG  31  -0.915  12.248  -4.471
  242    HG3  ARG  31           HG1      ARG  31  -1.401  10.607  -4.892
  243    HD2  ARG  31           HD2      ARG  31  -2.020  10.188  -2.567
  244    HD3  ARG  31           HD1      ARG  31  -1.511  11.818  -2.130
  245    HE   ARG  31           HE       ARG  31  -3.491  12.614  -2.936
  246   HH11  ARG  31          HH11      ARG  31  -3.059   9.338  -4.121
  247   HH12  ARG  31          HH12      ARG  31  -4.597   9.296  -4.921
  248   HH21  ARG  31          HH21      ARG  31  -5.522  12.551  -3.993
  249   HH22  ARG  31          HH22      ARG  31  -5.995  11.124  -4.854
  250    H    ARG  32           H        ARG  32   2.571  10.774  -3.784
  251    HA   ARG  32           HA       ARG  32   4.484   9.251  -5.211
  252    HB2  ARG  32           HB2      ARG  32   4.863  11.602  -3.346
  253    HB3  ARG  32           HB1      ARG  32   6.094  10.958  -4.421
  254    HG2  ARG  32           HG2      ARG  32   4.782  11.572  -6.354
  255    HG3  ARG  32           HG1      ARG  32   3.465  12.123  -5.316
  256    HD2  ARG  32           HD2      ARG  32   4.736  14.027  -6.078
  257    HD3  ARG  32           HD1      ARG  32   4.979  13.814  -4.346
  258    HE   ARG  32           HE       ARG  32   7.196  13.491  -4.742
  259   HH11  ARG  32          HH11      ARG  32   5.482  13.015  -7.757
  260   HH12  ARG  32          HH12      ARG  32   6.921  12.799  -8.695
  261   HH21  ARG  32          HH21      ARG  32   9.103  13.209  -5.974
  262   HH22  ARG  32          HH22      ARG  32   8.988  12.910  -7.677
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1   1.727  14.158   0.287
    2    H2   GLY   1           2HT      GLY   1   1.503  13.091  -1.013
    3    H3   GLY   1           3HT      GLY   1   2.839  14.132  -0.988
    4    HA2  GLY   1           HA1      GLY   1   2.873  11.569  -0.181
    5    HA3  GLY   1           HA2      GLY   1   4.050  12.792   0.288
    6    H    LEU   2           H        LEU   2   2.753  10.401   1.668
    7    HA   LEU   2           HA       LEU   2   2.615  11.586   4.254
    8    HB2  LEU   2           HB2      LEU   2   0.358  11.071   4.844
    9    HB3  LEU   2           HB1      LEU   2   0.317  12.056   3.397
   10    HG   LEU   2           HG       LEU   2   0.045   9.050   3.322
   11   HD11  LEU   2          HD11      LEU   2  -1.773   9.760   4.652
   12   HD12  LEU   2          HD12      LEU   2  -2.409   9.565   3.020
   13   HD13  LEU   2          HD13      LEU   2  -2.056  11.177   3.641
   14   HD21  LEU   2          HD21      LEU   2   0.659  10.465   1.250
   15   HD22  LEU   2          HD22      LEU   2  -1.012  11.025   1.329
   16   HD23  LEU   2          HD23      LEU   2  -0.665   9.308   1.120
   17    H    LEU   3           H        LEU   3   1.426   9.583   5.679
   18    HA   LEU   3           HA       LEU   3   3.394   7.535   5.527
   19    HB2  LEU   3           HB2      LEU   3   0.872   7.711   7.176
   20    HB3  LEU   3           HB1      LEU   3   2.129   6.508   7.392
   21    HG   LEU   3           HG       LEU   3   2.471   9.485   7.774
   22   HD11  LEU   3          HD11      LEU   3   2.659   8.947  10.141
   23   HD12  LEU   3          HD12      LEU   3   2.338   7.248   9.790
   24   HD13  LEU   3          HD13      LEU   3   1.087   8.459   9.505
   25   HD21  LEU   3          HD21      LEU   3   4.498   7.777   8.924
   26   HD22  LEU   3          HD22      LEU   3   4.673   9.170   7.857
   27   HD23  LEU   3          HD23      LEU   3   4.396   7.567   7.176
   28    H    CYS   4           H        CYS   4   3.344   5.655   4.517
   29    HA   CYS   4           HA       CYS   4   0.889   4.863   3.131
   30    HB2  CYS   4           HB2      CYS   4   3.665   3.746   2.724
   31    HB3  CYS   4           HB1      CYS   4   2.278   3.590   1.653
   32    H    TYR   5           H        TYR   5   0.385   2.494   3.107
   33    HA   TYR   5           HA       TYR   5   1.456   1.025   5.381
   34    HB2  TYR   5           HB2      TYR   5  -0.968   0.450   6.052
   35    HB3  TYR   5           HB1      TYR   5  -0.309   2.004   6.542
   36    HD1  TYR   5           HD1      TYR   5  -1.940   0.772   3.391
   37    HD2  TYR   5           HD2      TYR   5  -1.950   3.615   6.555
   38    HE1  TYR   5           HE1      TYR   5  -3.847   1.915   2.349
   39    HE2  TYR   5           HE2      TYR   5  -3.860   4.768   5.519
   40    HH   TYR   5           HH       TYR   5  -4.957   4.002   2.324
   41    H    CYS   6           H        CYS   6   1.173  -1.171   5.365
   42    HA   CYS   6           HA       CYS   6   0.645  -2.242   2.720
   43    HB2  CYS   6           HB2      CYS   6   1.658  -4.331   3.695
   44    HB3  CYS   6           HB1      CYS   6   2.726  -2.938   3.593
   45    H    ARG   7           H        ARG   7  -1.201  -3.283   2.245
   46    HA   ARG   7           HA       ARG   7  -2.780  -4.417   4.467
   47    HB2  ARG   7           HB2      ARG   7  -3.993  -3.062   2.050
   48    HB3  ARG   7           HB1      ARG   7  -4.837  -3.663   3.467
   49    HG2  ARG   7           HG2      ARG   7  -3.031  -1.266   3.284
   50    HG3  ARG   7           HG1      ARG   7  -4.764  -1.296   3.613
   51    HD2  ARG   7           HD2      ARG   7  -2.590  -2.388   5.397
   52    HD3  ARG   7           HD1      ARG   7  -3.477  -0.889   5.647
   53    HE   ARG   7           HE       ARG   7  -5.389  -2.864   5.519
   54   HH11  ARG   7          HH11      ARG   7  -2.557  -2.250   7.470
   55   HH12  ARG   7          HH12      ARG   7  -3.219  -2.964   8.904
   56   HH21  ARG   7          HH21      ARG   7  -6.281  -3.824   7.419
   57   HH22  ARG   7          HH22      ARG   7  -5.342  -3.863   8.873
   58    H    LYS   8           H        LYS   8  -3.765  -6.378   4.046
   59    HA   LYS   8           HA       LYS   8  -2.630  -7.990   2.032
   60    HB2  LYS   8           HB2      LYS   8  -3.448  -8.839   4.224
   61    HB3  LYS   8           HB1      LYS   8  -5.097  -8.567   3.678
   62    HG2  LYS   8           HG2      LYS   8  -4.788 -10.187   1.888
   63    HG3  LYS   8           HG1      LYS   8  -3.118 -10.439   2.391
   64    HD2  LYS   8           HD2      LYS   8  -4.449 -12.234   3.262
   65    HD3  LYS   8           HD1      LYS   8  -3.971 -11.200   4.607
   66    HE2  LYS   8           HE2      LYS   8  -6.156 -10.126   4.576
   67    HE3  LYS   8           HE1      LYS   8  -6.634 -11.109   3.193
   68    HZ1  LYS   8           HZ1      LYS   8  -5.956 -12.132   5.899
   69    HZ2  LYS   8           HZ2      LYS   8  -6.390 -13.086   4.571
   70    HZ3  LYS   8           HZ3      LYS   8  -7.512 -12.013   5.242
   71    H    GLY   9           H        GLY   9  -5.534  -6.117   2.165
   72    HA2  GLY   9           HA2      GLY   9  -6.717  -7.377  -0.151
   73    HA3  GLY   9           HA1      GLY   9  -7.344  -5.978   0.706
   74    H    HIS  10           H        HIS  10  -7.756  -5.066  -1.405
   75    HA   HIS  10           HA       HIS  10  -5.503  -4.408  -3.085
   76    HB2  HIS  10           HB2      HIS  10  -7.813  -4.900  -3.975
   77    HB3  HIS  10           HB1      HIS  10  -8.333  -3.362  -3.299
   78    HD1  HIS  10           HD1      HIS  10  -8.891  -3.052  -5.990
   79    HD2  HIS  10           HD2      HIS  10  -4.907  -2.870  -4.814
   80    HE1  HIS  10           HE1      HIS  10  -7.681  -1.926  -7.884
   81    H    CYS  11           H        CYS  11  -4.676  -3.404  -0.887
   82    HA   CYS  11           HA       CYS  11  -3.930  -1.536   0.185
   83    HB2  CYS  11           HB2      CYS  11  -4.969   0.030  -2.175
   84    HB3  CYS  11           HB1      CYS  11  -3.647   0.459  -1.096
   85    H    LYS  12           H        LYS  12  -5.057   1.123  -0.027
   86    HA   LYS  12           HA       LYS  12  -7.818   0.972   0.789
   87    HB2  LYS  12           HB2      LYS  12  -5.611   1.424   2.771
   88    HB3  LYS  12           HB1      LYS  12  -7.140   2.263   2.979
   89    HG2  LYS  12           HG2      LYS  12  -6.811  -0.726   2.812
   90    HG3  LYS  12           HG1      LYS  12  -6.991   0.201   4.301
   91    HD2  LYS  12           HD2      LYS  12  -9.013   0.058   2.063
   92    HD3  LYS  12           HD1      LYS  12  -9.110  -0.822   3.588
   93    HE2  LYS  12           HE2      LYS  12  -9.079   2.183   3.299
   94    HE3  LYS  12           HE1      LYS  12 -10.517   1.201   3.573
   95    HZ1  LYS  12           HZ1      LYS  12  -8.311   1.815   5.421
   96    HZ2  LYS  12           HZ2      LYS  12  -9.196   0.389   5.627
   97    HZ3  LYS  12           HZ3      LYS  12  -9.982   1.884   5.684
   98    H    ARG  13           H        ARG  13  -8.838   2.846   0.409
   99    HA   ARG  13           HA       ARG  13  -9.273   5.008  -0.096
  100    HB2  ARG  13           HB2      ARG  13  -7.802   5.737   1.675
  101    HB3  ARG  13           HB1      ARG  13  -6.389   5.492   0.658
  102    HG2  ARG  13           HG2      ARG  13  -7.044   7.301  -0.780
  103    HG3  ARG  13           HG1      ARG  13  -8.572   7.485   0.083
  104    HD2  ARG  13           HD2      ARG  13  -5.868   7.818   1.369
  105    HD3  ARG  13           HD1      ARG  13  -6.799   9.152   0.689
  106    HE   ARG  13           HE       ARG  13  -8.473   7.837   2.459
  107   HH11  ARG  13          HH11      ARG  13  -5.426   9.541   2.619
  108   HH12  ARG  13          HH12      ARG  13  -5.690  10.139   4.223
  109   HH21  ARG  13          HH21      ARG  13  -8.839   8.624   4.580
  110   HH22  ARG  13          HH22      ARG  13  -7.640   9.614   5.343
  111    H    GLY  14           H        GLY  14  -6.400   3.567  -1.498
  112    HA2  GLY  14           HA2      GLY  14  -7.313   4.388  -4.123
  113    HA3  GLY  14           HA1      GLY  14  -5.762   5.055  -3.631
  114    H    GLY  15           H        GLY  15  -4.563   3.961  -5.176
  115    HA2  GLY  15           HA2      GLY  15  -4.052   1.171  -4.511
  116    HA3  GLY  15           HA1      GLY  15  -4.605   1.494  -6.149
  117    H    ARG  16           H        ARG  16  -2.420   3.360  -4.088
  118    HA   ARG  16           HA       ARG  16  -0.474   3.408  -6.249
  119    HB2  ARG  16           HB2      ARG  16  -1.051   5.489  -4.998
  120    HB3  ARG  16           HB1      ARG  16  -0.368   4.768  -3.548
  121    HG2  ARG  16           HG2      ARG  16   1.816   4.613  -4.698
  122    HG3  ARG  16           HG1      ARG  16   1.107   5.451  -6.082
  123    HD2  ARG  16           HD2      ARG  16   0.612   7.376  -4.678
  124    HD3  ARG  16           HD1      ARG  16   1.270   6.536  -3.275
  125    HE   ARG  16           HE       ARG  16   3.228   6.643  -5.290
  126   HH11  ARG  16          HH11      ARG  16   1.540   8.700  -3.035
  127   HH12  ARG  16          HH12      ARG  16   2.804   9.893  -2.952
  128   HH21  ARG  16          HH21      ARG  16   4.935   8.192  -5.171
  129   HH22  ARG  16          HH22      ARG  16   4.750   9.579  -4.151
  130    H    VAL  17           H        VAL  17  -0.245   1.043  -5.939
  131    HA   VAL  17           HA       VAL  17   0.972  -0.038  -3.626
  132    HB   VAL  17           HB       VAL  17   1.200  -1.191  -6.401
  133   HG11  VAL  17          HG11      VAL  17   2.231  -2.064  -4.029
  134   HG12  VAL  17          HG21      VAL  17   1.897  -3.080  -5.431
  135   HG13  VAL  17          3HG1      VAL  17   0.714  -2.958  -4.128
  136   HG21  VAL  17          HG12      VAL  17  -1.100  -0.778  -6.246
  137   HG22  VAL  17          HG22      VAL  17  -1.147  -1.183  -4.530
  138   HG23  VAL  17          HG23      VAL  17  -0.920  -2.455  -5.729
  139    H    ARG  18           H        ARG  18   3.020  -0.197  -3.027
  140    HA   ARG  18           HA       ARG  18   5.098   0.785  -4.872
  141    HB2  ARG  18           HB2      ARG  18   4.813   1.056  -1.888
  142    HB3  ARG  18           HB1      ARG  18   6.369   1.247  -2.685
  143    HG2  ARG  18           HG2      ARG  18   5.557   3.108  -3.956
  144    HG3  ARG  18           HG1      ARG  18   3.918   2.859  -3.350
  145    HD2  ARG  18           HD2      ARG  18   5.071   4.694  -2.195
  146    HD3  ARG  18           HD1      ARG  18   4.629   3.383  -1.103
  147    HE   ARG  18           HE       ARG  18   7.269   3.023  -2.037
  148   HH11  ARG  18          HH11      ARG  18   5.376   5.013   0.131
  149   HH12  ARG  18          HH12      ARG  18   6.700   5.342   1.199
  150   HH21  ARG  18          HH21      ARG  18   9.033   3.462  -0.630
  151   HH22  ARG  18          HH22      ARG  18   8.786   4.466   0.758
  152    H    GLY  19           H        GLY  19   4.006  -1.763  -2.828
  153    HA2  GLY  19           HA2      GLY  19   5.668  -3.701  -3.899
  154    HA3  GLY  19           HA1      GLY  19   6.502  -3.080  -2.486
  155    H    THR  20           H        THR  20   6.357  -4.876  -1.263
  156    HA   THR  20           HA       THR  20   3.658  -5.586  -0.350
  157    HB   THR  20           HB       THR  20   4.632  -7.929   0.037
  158    HG1  THR  20           HG1      THR  20   6.309  -7.629  -2.116
  159   HG21  THR  20          HG12      THR  20   3.802  -6.721  -2.547
  160   HG22  THR  20          HG22      THR  20   3.027  -7.983  -1.587
  161   HG23  THR  20          HG23      THR  20   4.434  -8.368  -2.580
  162    H    CYS  21           H        CYS  21   3.560  -6.395   1.831
  163    HA   CYS  21           HA       CYS  21   5.485  -5.064   3.556
  164    HB2  CYS  21           HB2      CYS  21   2.832  -5.231   3.742
  165    HB3  CYS  21           HB1      CYS  21   3.235  -6.686   4.644
  166    H    GLY  22           H        GLY  22   6.538  -7.250   2.148
  167    HA2  GLY  22           HA2      GLY  22   7.964  -9.000   2.621
  168    HA3  GLY  22           HA1      GLY  22   7.520  -8.889   4.304
  169    H    ILE  23           H        ILE  23   5.070  -9.379   4.470
  170    HA   ILE  23           HA       ILE  23   4.751 -12.148   3.687
  171    HB   ILE  23           HB       ILE  23   2.623 -11.973   5.052
  172   HG12  ILE  23          HG21      ILE  23   3.830  -9.279   5.731
  173   HG13  ILE  23          HG11      ILE  23   2.294  -9.556   4.917
  174   HG21  ILE  23          HG12      ILE  23   5.405 -11.733   6.029
  175   HG22  ILE  23          HG22      ILE  23   4.230 -13.028   6.251
  176   HG23  ILE  23          HG23      ILE  23   4.118 -11.562   7.225
  177   HD11  ILE  23          HD11      ILE  23   2.411 -10.921   7.461
  178   HD12  ILE  23          HD12      ILE  23   1.225  -9.771   6.845
  179   HD13  ILE  23          HD13      ILE  23   2.695  -9.188   7.626
  180    H    ARG  24           H        ARG  24   1.931 -12.224   3.571
  181    HA   ARG  24           HA       ARG  24   1.590 -11.482   0.808
  182    HB2  ARG  24           HB2      ARG  24  -0.274 -12.873   2.732
  183    HB3  ARG  24           HB1      ARG  24  -0.615 -12.617   1.027
  184    HG2  ARG  24           HG2      ARG  24   1.690 -14.218   2.130
  185    HG3  ARG  24           HG1      ARG  24   0.190 -14.883   1.483
  186    HD2  ARG  24           HD2      ARG  24   1.745 -15.058  -0.272
  187    HD3  ARG  24           HD1      ARG  24   0.757 -13.657  -0.675
  188    HE   ARG  24           HE       ARG  24   2.617 -12.349  -0.530
  189   HH11  ARG  24          HH11      ARG  24   3.317 -15.398   1.049
  190   HH12  ARG  24          HH12      ARG  24   4.965 -14.988   1.394
  191   HH21  ARG  24          HH21      ARG  24   4.786 -11.797  -0.053
  192   HH22  ARG  24          HH22      ARG  24   5.799 -12.930   0.778
  193    H    PHE  25           H        PHE  25   1.920  -9.171   2.026
  194    HA   PHE  25           HA       PHE  25  -0.760  -7.948   1.998
  195    HB2  PHE  25           HB2      PHE  25   1.513  -7.439   3.914
  196    HB3  PHE  25           HB1      PHE  25   0.307  -6.203   3.592
  197    HD1  PHE  25           HD2      PHE  25   0.190  -9.882   4.261
  198    HD2  PHE  25           HD1      PHE  25  -1.184  -5.993   5.294
  199    HE1  PHE  25           HE2      PHE  25  -1.275 -10.860   5.979
  200    HE2  PHE  25           HE1      PHE  25  -2.646  -6.960   7.020
  201    HZ   PHE  25           HZ       PHE  25  -2.695  -9.399   7.361
  202    H    LEU  26           H        LEU  26  -0.931  -6.163   0.707
  203    HA   LEU  26           HA       LEU  26   1.405  -5.486  -0.893
  204    HB2  LEU  26           HB2      LEU  26  -1.493  -4.674  -1.110
  205    HB3  LEU  26           HB1      LEU  26  -0.240  -4.081  -2.177
  206    HG   LEU  26           HG       LEU  26   0.188  -6.538  -2.773
  207   HD11  LEU  26          HD11      LEU  26  -2.614  -6.903  -1.748
  208   HD12  LEU  26          HD12      LEU  26  -1.189  -7.376  -0.823
  209   HD13  LEU  26          HD13      LEU  26  -1.512  -8.125  -2.386
  210   HD21  LEU  26          HD21      LEU  26  -2.532  -5.674  -3.634
  211   HD22  LEU  26          HD22      LEU  26  -1.212  -6.354  -4.583
  212   HD23  LEU  26          HD23      LEU  26  -1.135  -4.679  -4.042
  213    H    TYR  27           H        TYR  27   2.571  -3.706  -0.644
  214    HA   TYR  27           HA       TYR  27   1.832  -1.817   1.452
  215    HB2  TYR  27           HB2      TYR  27   4.131  -2.733   1.386
  216    HB3  TYR  27           HB1      TYR  27   4.356  -2.035  -0.213
  217    HD1  TYR  27           HD2      TYR  27   3.020  -0.712   3.028
  218    HD2  TYR  27           HD1      TYR  27   5.823  -0.275  -0.142
  219    HE1  TYR  27           HE2      TYR  27   3.854   1.360   4.058
  220    HE2  TYR  27           HE1      TYR  27   6.665   1.796   0.879
  221    HH   TYR  27           HH       TYR  27   5.795   2.766   4.060
  222    H    CYS  28           H        CYS  28   0.563  -0.162   0.861
  223    HA   CYS  28           HA       CYS  28   1.147   1.194  -1.687
  224    HB2  CYS  28           HB2      CYS  28  -1.685   1.019  -0.767
  225    HB3  CYS  28           HB1      CYS  28  -1.047   1.190  -2.395
  226    H    CYS  29           H        CYS  29   0.545   3.389  -1.780
  227    HA   CYS  29           HA       CYS  29   0.373   4.673   0.853
  228    HB2  CYS  29           HB2      CYS  29   1.078   5.856  -1.845
  229    HB3  CYS  29           HB1      CYS  29   1.093   6.721  -0.311
  230    HA   PRO  30           HA       PRO  30  -3.907   5.618   0.386
  231    HB2  PRO  30           HB2      PRO  30  -3.162   8.300   1.451
  232    HB3  PRO  30           HB1      PRO  30  -4.401   7.170   2.008
  233    HG2  PRO  30           HG2      PRO  30  -2.127   7.436   3.353
  234    HG3  PRO  30           HG1      PRO  30  -2.866   5.838   3.134
  235    HD2  PRO  30           HD2      PRO  30  -0.513   7.048   1.746
  236    HD3  PRO  30           HD1      PRO  30  -0.779   5.369   2.263
  237    H    ARG  31           H        ARG  31  -1.677   8.232  -0.560
  238    HA   ARG  31           HA       ARG  31  -3.002   8.495  -3.109
  239    HB2  ARG  31           HB2      ARG  31  -3.227  10.596  -0.985
  240    HB3  ARG  31           HB1      ARG  31  -3.087  11.096  -2.665
  241    HG2  ARG  31           HG2      ARG  31  -5.069   9.737  -3.207
  242    HG3  ARG  31           HG1      ARG  31  -5.222   9.321  -1.499
  243    HD2  ARG  31           HD2      ARG  31  -5.567  11.642  -0.924
  244    HD3  ARG  31           HD1      ARG  31  -5.287  12.129  -2.594
  245    HE   ARG  31           HE       ARG  31  -7.389  10.285  -2.560
  246   HH11  ARG  31          HH11      ARG  31  -6.713  13.544  -1.474
  247   HH12  ARG  31          HH12      ARG  31  -8.356  14.073  -1.613
  248   HH21  ARG  31          HH21      ARG  31  -9.564  10.976  -2.747
  249   HH22  ARG  31          HH22      ARG  31  -9.983  12.606  -2.339
  250    H    ARG  32           H        ARG  32  -1.863  11.161  -3.538
  251    HA   ARG  32           HA       ARG  32   0.800  10.331  -4.235
  252    HB2  ARG  32           HB2      ARG  32  -0.610  12.982  -4.602
  253    HB3  ARG  32           HB1      ARG  32   0.968  12.582  -5.265
  254    HG2  ARG  32           HG2      ARG  32  -0.050  10.787  -6.585
  255    HG3  ARG  32           HG1      ARG  32  -1.630  11.217  -5.933
  256    HD2  ARG  32           HD2      ARG  32  -1.467  12.218  -8.082
  257    HD3  ARG  32           HD1      ARG  32  -1.302  13.509  -6.898
  258    HE   ARG  32           HE       ARG  32   0.763  12.485  -8.683
  259   HH11  ARG  32          HH11      ARG  32  -0.105  14.682  -6.099
  260   HH12  ARG  32          HH12      ARG  32   1.341  15.623  -6.236
  261   HH21  ARG  32          HH21      ARG  32   2.672  13.731  -8.877
  262   HH22  ARG  32          HH22      ARG  32   2.925  15.081  -7.822
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  -0.788  13.154   0.194
    2    H2   GLY   1           2HT      GLY   1  -2.158  12.723   1.093
    3    H3   GLY   1           3HT      GLY   1  -1.636  11.737  -0.175
    4    HA2  GLY   1           HA1      GLY   1  -0.213  12.220   2.385
    5    HA3  GLY   1           HA2      GLY   1  -0.995  10.725   1.884
    6    H    LEU   2           H        LEU   2   1.913  11.883   2.385
    7    HA   LEU   2           HA       LEU   2   3.185  11.069  -0.093
    8    HB2  LEU   2           HB2      LEU   2   4.400  12.013   2.504
    9    HB3  LEU   2           HB1      LEU   2   5.268  11.761   1.002
   10    HG   LEU   2           HG       LEU   2   3.099  13.819   1.435
   11   HD11  LEU   2          HD11      LEU   2   4.829  15.456   1.444
   12   HD12  LEU   2          HD12      LEU   2   6.056  14.246   1.071
   13   HD13  LEU   2          HD13      LEU   2   5.251  14.229   2.640
   14   HD21  LEU   2          HD21      LEU   2   2.941  13.628  -0.802
   15   HD22  LEU   2          HD22      LEU   2   4.499  12.816  -0.949
   16   HD23  LEU   2          HD23      LEU   2   4.432  14.571  -0.795
   17    H    LEU   3           H        LEU   3   3.081  10.016   3.291
   18    HA   LEU   3           HA       LEU   3   4.758   7.742   2.786
   19    HB2  LEU   3           HB2      LEU   3   4.736   8.916   4.960
   20    HB3  LEU   3           HB1      LEU   3   3.076   8.407   5.203
   21    HG   LEU   3           HG       LEU   3   3.834   6.041   5.189
   22   HD11  LEU   3          HD11      LEU   3   6.004   6.797   3.898
   23   HD12  LEU   3          HD12      LEU   3   6.012   5.393   4.966
   24   HD13  LEU   3          HD13      LEU   3   6.647   6.938   5.534
   25   HD21  LEU   3          HD21      LEU   3   4.411   6.045   7.411
   26   HD22  LEU   3          HD22      LEU   3   3.719   7.659   7.244
   27   HD23  LEU   3          HD23      LEU   3   5.469   7.446   7.247
   28    H    CYS   4           H        CYS   4   4.180   5.732   2.310
   29    HA   CYS   4           HA       CYS   4   1.377   5.159   1.778
   30    HB2  CYS   4           HB2      CYS   4   3.840   3.470   1.279
   31    HB3  CYS   4           HB1      CYS   4   2.220   3.112   0.711
   32    H    TYR   5           H        TYR   5   0.565   2.938   2.432
   33    HA   TYR   5           HA       TYR   5   1.776   1.997   4.914
   34    HB2  TYR   5           HB2      TYR   5  -0.521   1.714   5.923
   35    HB3  TYR   5           HB1      TYR   5   0.077   3.358   5.826
   36    HD1  TYR   5           HD1      TYR   5  -1.672   1.259   3.250
   37    HD2  TYR   5           HD2      TYR   5  -1.770   4.716   5.723
   38    HE1  TYR   5           HE1      TYR   5  -3.786   1.943   2.199
   39    HE2  TYR   5           HE2      TYR   5  -3.882   5.412   4.677
   40    HH   TYR   5           HH       TYR   5  -5.551   3.346   2.348
   41    H    CYS   6           H        CYS   6   1.604  -0.162   5.317
   42    HA   CYS   6           HA       CYS   6   0.858  -1.702   2.984
   43    HB2  CYS   6           HB2      CYS   6   2.107  -3.494   3.906
   44    HB3  CYS   6           HB1      CYS   6   3.053  -2.031   4.110
   45    H    ARG   7           H        ARG   7  -0.942  -2.881   2.820
   46    HA   ARG   7           HA       ARG   7  -2.451  -3.478   5.284
   47    HB2  ARG   7           HB2      ARG   7  -3.747  -2.693   2.670
   48    HB3  ARG   7           HB1      ARG   7  -4.533  -2.934   4.220
   49    HG2  ARG   7           HG2      ARG   7  -2.707  -0.678   3.433
   50    HG3  ARG   7           HG1      ARG   7  -4.439  -0.598   3.755
   51    HD2  ARG   7           HD2      ARG   7  -2.295  -1.291   5.757
   52    HD3  ARG   7           HD1      ARG   7  -3.120   0.257   5.619
   53    HE   ARG   7           HE       ARG   7  -5.184  -1.363   6.012
   54   HH11  ARG   7          HH11      ARG   7  -2.067  -1.315   7.585
   55   HH12  ARG   7          HH12      ARG   7  -2.691  -1.745   9.145
   56   HH21  ARG   7          HH21      ARG   7  -6.034  -1.935   8.081
   57   HH22  ARG   7          HH22      ARG   7  -4.955  -2.101   9.425
   58    H    LYS   8           H        LYS   8  -3.713  -5.378   5.216
   59    HA   LYS   8           HA       LYS   8  -2.637  -7.461   3.614
   60    HB2  LYS   8           HB2      LYS   8  -3.583  -7.742   5.934
   61    HB3  LYS   8           HB1      LYS   8  -5.185  -7.530   5.243
   62    HG2  LYS   8           HG2      LYS   8  -4.911  -9.513   3.898
   63    HG3  LYS   8           HG1      LYS   8  -3.248  -9.699   4.461
   64    HD2  LYS   8           HD2      LYS   8  -4.191  -9.857   6.800
   65    HD3  LYS   8           HD1      LYS   8  -5.788  -9.973   6.057
   66    HE2  LYS   8           HE2      LYS   8  -4.942 -12.189   6.546
   67    HE3  LYS   8           HE1      LYS   8  -5.036 -11.951   4.801
   68    HZ1  LYS   8           HZ1      LYS   8  -2.574 -11.743   6.453
   69    HZ2  LYS   8           HZ2      LYS   8  -2.654 -11.485   4.783
   70    HZ3  LYS   8           HZ3      LYS   8  -2.969 -13.021   5.418
   71    H    GLY   9           H        GLY   9  -3.063  -7.670   1.559
   72    HA2  GLY   9           HA2      GLY   9  -4.807  -8.357  -0.058
   73    HA3  GLY   9           HA1      GLY   9  -5.780  -7.035   0.583
   74    H    HIS  10           H        HIS  10  -5.562  -6.854  -2.002
   75    HA   HIS  10           HA       HIS  10  -3.168  -5.553  -2.892
   76    HB2  HIS  10           HB2      HIS  10  -4.669  -6.935  -4.364
   77    HB3  HIS  10           HB1      HIS  10  -5.845  -5.628  -4.295
   78    HD1  HIS  10           HD1      HIS  10  -5.304  -5.883  -7.014
   79    HD2  HIS  10           HD2      HIS  10  -2.444  -4.043  -4.623
   80    HE1  HIS  10           HE1      HIS  10  -3.835  -4.590  -8.593
   81    H    CYS  11           H        CYS  11  -3.311  -3.950  -1.066
   82    HA   CYS  11           HA       CYS  11  -3.397  -1.765  -0.456
   83    HB2  CYS  11           HB2      CYS  11  -4.739  -1.212  -3.106
   84    HB3  CYS  11           HB1      CYS  11  -3.914  -0.052  -2.072
   85    H    LYS  12           H        LYS  12  -4.794  -0.314   0.578
   86    HA   LYS  12           HA       LYS  12  -7.662  -0.903   0.362
   87    HB2  LYS  12           HB2      LYS  12  -6.090  -0.662   2.936
   88    HB3  LYS  12           HB1      LYS  12  -7.847  -0.646   2.851
   89    HG2  LYS  12           HG2      LYS  12  -6.031  -2.911   2.052
   90    HG3  LYS  12           HG1      LYS  12  -7.070  -2.839   3.477
   91    HD2  LYS  12           HD2      LYS  12  -9.044  -2.921   2.170
   92    HD3  LYS  12           HD1      LYS  12  -8.156  -2.609   0.679
   93    HE2  LYS  12           HE2      LYS  12  -8.773  -4.931   0.753
   94    HE3  LYS  12           HE1      LYS  12  -7.027  -4.795   0.945
   95    HZ1  LYS  12           HZ1      LYS  12  -8.138  -4.730   3.488
   96    HZ2  LYS  12           HZ2      LYS  12  -7.206  -5.961   2.796
   97    HZ3  LYS  12           HZ3      LYS  12  -8.894  -5.999   2.668
   98    H    ARG  13           H        ARG  13  -8.675   0.861  -0.198
   99    HA   ARG  13           HA       ARG  13  -9.247   3.029  -0.524
  100    HB2  ARG  13           HB2      ARG  13  -8.059   3.337   2.240
  101    HB3  ARG  13           HB1      ARG  13  -9.027   4.558   1.426
  102    HG2  ARG  13           HG2      ARG  13  -9.952   1.805   2.224
  103    HG3  ARG  13           HG1      ARG  13 -10.355   3.317   3.037
  104    HD2  ARG  13           HD2      ARG  13 -11.053   2.638   0.180
  105    HD3  ARG  13           HD1      ARG  13 -12.155   2.511   1.548
  106    HE   ARG  13           HE       ARG  13 -11.452   4.878   0.117
  107   HH11  ARG  13          HH11      ARG  13 -12.439   3.696   3.263
  108   HH12  ARG  13          HH12      ARG  13 -13.104   5.213   3.769
  109   HH21  ARG  13          HH21      ARG  13 -12.325   6.885   0.781
  110   HH22  ARG  13          HH22      ARG  13 -13.040   7.031   2.351
  111    H    GLY  14           H        GLY  14  -6.929   2.326  -1.780
  112    HA2  GLY  14           HA2      GLY  14  -5.493   4.883  -1.755
  113    HA3  GLY  14           HA1      GLY  14  -4.569   3.394  -1.635
  114    H    GLY  15           H        GLY  15  -3.545   3.196  -3.518
  115    HA2  GLY  15           HA2      GLY  15  -4.769   2.332  -5.822
  116    HA3  GLY  15           HA1      GLY  15  -4.661   4.078  -5.994
  117    H    ARG  16           H        ARG  16  -2.229   4.613  -4.829
  118    HA   ARG  16           HA       ARG  16  -0.475   3.495  -6.850
  119    HB2  ARG  16           HB2      ARG  16   1.157   5.232  -5.977
  120    HB3  ARG  16           HB1      ARG  16  -0.303   5.838  -6.741
  121    HG2  ARG  16           HG2      ARG  16  -1.275   6.243  -4.516
  122    HG3  ARG  16           HG1      ARG  16   0.228   5.681  -3.778
  123    HD2  ARG  16           HD2      ARG  16   1.439   7.471  -4.995
  124    HD3  ARG  16           HD1      ARG  16  -0.104   8.060  -5.608
  125    HE   ARG  16           HE       ARG  16   1.024   8.554  -3.042
  126   HH11  ARG  16          HH11      ARG  16  -2.037   8.198  -4.713
  127   HH12  ARG  16          HH12      ARG  16  -2.935   9.062  -3.511
  128   HH21  ARG  16          HH21      ARG  16  -0.165   9.716  -1.472
  129   HH22  ARG  16          HH22      ARG  16  -1.885   9.929  -1.672
  130    H    VAL  17           H        VAL  17   0.181   1.539  -6.317
  131    HA   VAL  17           HA       VAL  17   1.176   0.965  -3.635
  132    HB   VAL  17           HB       VAL  17  -0.242  -0.751  -4.492
  133   HG11  VAL  17          HG11      VAL  17  -0.340  -0.436  -6.797
  134   HG12  VAL  17          HG21      VAL  17   0.477  -1.990  -6.627
  135   HG13  VAL  17          3HG1      VAL  17   1.411  -0.536  -6.981
  136   HG21  VAL  17          HG12      VAL  17   1.024  -2.586  -4.038
  137   HG22  VAL  17          HG22      VAL  17   2.127  -1.330  -3.475
  138   HG23  VAL  17          HG23      VAL  17   2.358  -2.058  -5.065
  139    H    ARG  18           H        ARG  18   3.303   0.415  -3.196
  140    HA   ARG  18           HA       ARG  18   5.191   0.297  -5.381
  141    HB2  ARG  18           HB2      ARG  18   6.655   2.064  -4.247
  142    HB3  ARG  18           HB1      ARG  18   5.277   2.624  -5.177
  143    HG2  ARG  18           HG2      ARG  18   5.265   3.936  -3.252
  144    HG3  ARG  18           HG1      ARG  18   4.025   2.717  -2.958
  145    HD2  ARG  18           HD2      ARG  18   5.398   3.058  -0.978
  146    HD3  ARG  18           HD1      ARG  18   5.609   1.429  -1.615
  147    HE   ARG  18           HE       ARG  18   7.807   1.893  -1.975
  148   HH11  ARG  18          HH11      ARG  18   6.103   4.927  -1.553
  149   HH12  ARG  18          HH12      ARG  18   7.537   5.894  -1.622
  150   HH21  ARG  18          HH21      ARG  18   9.709   3.168  -2.062
  151   HH22  ARG  18          HH22      ARG  18   9.595   4.889  -1.910
  152    H    GLY  19           H        GLY  19   4.161  -1.388  -3.107
  153    HA2  GLY  19           HA2      GLY  19   6.618  -2.665  -2.536
  154    HA3  GLY  19           HA1      GLY  19   6.163  -1.682  -1.155
  155    H    THR  20           H        THR  20   6.252  -3.913  -0.211
  156    HA   THR  20           HA       THR  20   3.544  -5.011  -0.149
  157    HB   THR  20           HB       THR  20   4.647  -7.336   0.049
  158    HG1  THR  20           HG1      THR  20   6.618  -7.080  -1.568
  159   HG21  THR  20          HG12      THR  20   3.379  -7.244  -1.838
  160   HG22  THR  20          HG22      THR  20   4.966  -7.306  -2.605
  161   HG23  THR  20          HG23      THR  20   4.140  -5.760  -2.410
  162    H    CYS  21           H        CYS  21   3.135  -6.242   1.840
  163    HA   CYS  21           HA       CYS  21   4.987  -5.465   4.002
  164    HB2  CYS  21           HB2      CYS  21   2.576  -4.459   3.870
  165    HB3  CYS  21           HB1      CYS  21   2.088  -6.025   4.500
  166    H    GLY  22           H        GLY  22   5.277  -7.813   2.497
  167    HA2  GLY  22           HA2      GLY  22   6.031  -9.916   3.357
  168    HA3  GLY  22           HA1      GLY  22   4.774  -9.822   4.583
  169    H    ILE  23           H        ILE  23   3.809 -11.777   4.144
  170    HA   ILE  23           HA       ILE  23   3.046 -12.455   1.449
  171    HB   ILE  23           HB       ILE  23   3.771 -14.260   2.840
  172   HG12  ILE  23          HG21      ILE  23   0.773 -14.442   2.461
  173   HG13  ILE  23          HG11      ILE  23   1.978 -14.744   1.214
  174   HG21  ILE  23          HG12      ILE  23   1.554 -13.496   4.733
  175   HG22  ILE  23          HG22      ILE  23   3.288 -13.355   5.024
  176   HG23  ILE  23          HG23      ILE  23   2.546 -14.948   4.865
  177   HD11  ILE  23          HD11      ILE  23   1.715 -16.321   3.762
  178   HD12  ILE  23          HD12      ILE  23   2.798 -16.660   2.412
  179   HD13  ILE  23          HD13      ILE  23   1.053 -16.799   2.198
  180    H    ARG  24           H        ARG  24   1.249 -11.935   0.483
  181    HA   ARG  24           HA       ARG  24  -0.845 -11.213   0.021
  182    HB2  ARG  24           HB2      ARG  24  -1.515 -12.378   2.731
  183    HB3  ARG  24           HB1      ARG  24  -2.682 -11.925   1.496
  184    HG2  ARG  24           HG2      ARG  24  -0.572 -14.051   1.180
  185    HG3  ARG  24           HG1      ARG  24  -2.263 -14.346   1.584
  186    HD2  ARG  24           HD2      ARG  24  -1.332 -12.953  -0.922
  187    HD3  ARG  24           HD1      ARG  24  -1.704 -14.673  -0.826
  188    HE   ARG  24           HE       ARG  24  -3.903 -13.198   0.122
  189   HH11  ARG  24          HH11      ARG  24  -2.217 -13.896  -2.861
  190   HH12  ARG  24          HH12      ARG  24  -3.619 -13.693  -3.858
  191   HH21  ARG  24          HH21      ARG  24  -5.768 -12.930  -1.188
  192   HH22  ARG  24          HH22      ARG  24  -5.644 -13.142  -2.903
  193    H    PHE  25           H        PHE  25   0.950  -9.370   1.166
  194    HA   PHE  25           HA       PHE  25  -0.952  -7.433   2.279
  195    HB2  PHE  25           HB2      PHE  25   1.701  -8.241   3.421
  196    HB3  PHE  25           HB1      PHE  25   1.171  -6.577   3.580
  197    HD1  PHE  25           HD2      PHE  25  -0.009 -10.054   4.253
  198    HD2  PHE  25           HD1      PHE  25  -0.029  -5.964   5.423
  199    HE1  PHE  25           HE2      PHE  25  -1.230 -10.649   6.302
  200    HE2  PHE  25           HE1      PHE  25  -1.241  -6.553   7.480
  201    HZ   PHE  25           HZ       PHE  25  -1.847  -8.899   7.920
  202    H    LEU  26           H        LEU  26  -0.884  -5.575   1.122
  203    HA   LEU  26           HA       LEU  26   1.472  -5.143  -0.595
  204    HB2  LEU  26           HB2      LEU  26  -1.431  -4.582  -0.984
  205    HB3  LEU  26           HB1      LEU  26  -0.266  -3.543  -1.770
  206    HG   LEU  26           HG       LEU  26  -1.026  -5.243  -3.308
  207   HD11  LEU  26          HD11      LEU  26   1.801  -5.743  -2.401
  208   HD12  LEU  26          HD12      LEU  26   1.267  -4.502  -3.533
  209   HD13  LEU  26          HD13      LEU  26   1.124  -6.207  -3.962
  210   HD21  LEU  26          HD21      LEU  26  -0.399  -7.072  -1.056
  211   HD22  LEU  26          HD22      LEU  26  -0.125  -7.657  -2.699
  212   HD23  LEU  26          HD23      LEU  26  -1.730  -7.108  -2.213
  213    H    TYR  27           H        TYR  27   2.541  -3.260  -0.564
  214    HA   TYR  27           HA       TYR  27   1.815  -1.331   1.531
  215    HB2  TYR  27           HB2      TYR  27   4.107  -2.335   1.568
  216    HB3  TYR  27           HB1      TYR  27   4.411  -1.625  -0.011
  217    HD1  TYR  27           HD2      TYR  27   3.122  -0.435   3.297
  218    HD2  TYR  27           HD1      TYR  27   5.758   0.229   0.030
  219    HE1  TYR  27           HE2      TYR  27   3.957   1.598   4.392
  220    HE2  TYR  27           HE1      TYR  27   6.603   2.265   1.117
  221    HH   TYR  27           HH       TYR  27   5.144   3.503   4.076
  222    H    CYS  28           H        CYS  28   0.415   0.082   0.673
  223    HA   CYS  28           HA       CYS  28   1.186   1.439  -1.828
  224    HB2  CYS  28           HB2      CYS  28  -1.703   1.048  -1.196
  225    HB3  CYS  28           HB1      CYS  28  -0.904   1.168  -2.760
  226    H    CYS  29           H        CYS  29   0.345   3.587  -2.059
  227    HA   CYS  29           HA       CYS  29   0.065   4.934   0.504
  228    HB2  CYS  29           HB2      CYS  29   0.742   5.775  -2.265
  229    HB3  CYS  29           HB1      CYS  29  -0.060   6.961  -1.243
  230    HA   PRO  30           HA       PRO  30  -4.318   5.235   0.479
  231    HB2  PRO  30           HB2      PRO  30  -4.543   7.770   1.571
  232    HB3  PRO  30           HB1      PRO  30  -4.311   6.286   2.497
  233    HG2  PRO  30           HG2      PRO  30  -2.301   8.325   1.645
  234    HG3  PRO  30           HG1      PRO  30  -2.427   7.445   3.180
  235    HD2  PRO  30           HD2      PRO  30  -0.633   6.746   1.322
  236    HD3  PRO  30           HD1      PRO  30  -1.470   5.523   2.300
  237    H    ARG  31           H        ARG  31  -6.031   6.214  -0.605
  238    HA   ARG  31           HA       ARG  31  -5.318   7.650  -3.006
  239    HB2  ARG  31           HB2      ARG  31  -7.172   5.845  -2.685
  240    HB3  ARG  31           HB1      ARG  31  -8.138   7.180  -2.072
  241    HG2  ARG  31           HG2      ARG  31  -7.793   8.374  -4.197
  242    HG3  ARG  31           HG1      ARG  31  -6.894   6.983  -4.807
  243    HD2  ARG  31           HD2      ARG  31  -8.946   5.598  -4.349
  244    HD3  ARG  31           HD1      ARG  31  -9.802   7.106  -4.030
  245    HE   ARG  31           HE       ARG  31  -9.897   7.490  -6.278
  246   HH11  ARG  31          HH11      ARG  31  -7.545   4.962  -5.677
  247   HH12  ARG  31          HH12      ARG  31  -7.252   4.660  -7.359
  248   HH21  ARG  31          HH21      ARG  31  -9.503   7.100  -8.501
  249   HH22  ARG  31          HH22      ARG  31  -8.365   5.880  -8.969
  250    H    ARG  32           H        ARG  32  -4.475   9.190  -1.112
  251    HA   ARG  32           HA       ARG  32  -5.874  11.640  -1.380
  252    HB2  ARG  32           HB2      ARG  32  -6.241  11.960   1.101
  253    HB3  ARG  32           HB1      ARG  32  -7.328  10.799   0.348
  254    HG2  ARG  32           HG2      ARG  32  -5.897   8.968   1.161
  255    HG3  ARG  32           HG1      ARG  32  -4.871  10.153   1.966
  256    HD2  ARG  32           HD2      ARG  32  -6.650  10.807   3.420
  257    HD3  ARG  32           HD1      ARG  32  -7.815   9.842   2.512
  258    HE   ARG  32           HE       ARG  32  -5.840   8.103   3.378
  259   HH11  ARG  32          HH11      ARG  32  -8.208  10.214   4.834
  260   HH12  ARG  32          HH12      ARG  32  -8.430   9.221   6.236
  261   HH21  ARG  32          HH21      ARG  32  -6.127   6.769   5.212
  262   HH22  ARG  32          HH22      ARG  32  -7.237   7.248   6.452
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1  -3.647  12.249   4.076
    2    H2   GLY   1           2HT      GLY   1  -4.428  11.988   5.550
    3    H3   GLY   1           3HT      GLY   1  -4.546  10.834   4.315
    4    HA2  GLY   1           HA1      GLY   1  -2.295  11.433   6.114
    5    HA3  GLY   1           HA2      GLY   1  -2.964   9.872   5.655
    6    H    LEU   2           H        LEU   2  -0.241  11.462   5.446
    7    HA   LEU   2           HA       LEU   2   0.272  11.012   2.606
    8    HB2  LEU   2           HB2      LEU   2   1.778  12.451   4.771
    9    HB3  LEU   2           HB1      LEU   2   2.554  12.029   3.259
   10    HG   LEU   2           HG       LEU   2   1.865  14.302   3.108
   11   HD11  LEU   2          HD11      LEU   2   1.139  12.409   1.288
   12   HD12  LEU   2          HD12      LEU   2   1.068  14.152   1.033
   13   HD13  LEU   2          HD13      LEU   2  -0.375  13.277   1.544
   14   HD21  LEU   2          HD21      LEU   2  -0.832  14.523   3.184
   15   HD22  LEU   2          HD22      LEU   2   0.238  14.897   4.535
   16   HD23  LEU   2          HD23      LEU   2  -0.558  13.326   4.449
   17    H    LEU   3           H        LEU   3   1.267   9.905   5.780
   18    HA   LEU   3           HA       LEU   3   3.438   8.312   5.025
   19    HB2  LEU   3           HB2      LEU   3   1.528   7.943   7.332
   20    HB3  LEU   3           HB1      LEU   3   3.078   7.143   7.167
   21    HG   LEU   3           HG       LEU   3   2.674  10.121   7.455
   22   HD11  LEU   3          HD11      LEU   3   3.079   7.934   9.381
   23   HD12  LEU   3          HD12      LEU   3   2.348   9.523   9.599
   24   HD13  LEU   3          HD13      LEU   3   4.102   9.352   9.607
   25   HD21  LEU   3          HD21      LEU   3   4.642   9.548   6.115
   26   HD22  LEU   3          HD22      LEU   3   5.207   8.484   7.404
   27   HD23  LEU   3          HD23      LEU   3   5.095  10.222   7.681
   28    H    CYS   4           H        CYS   4   3.629   6.340   4.202
   29    HA   CYS   4           HA       CYS   4   1.396   5.063   2.987
   30    HB2  CYS   4           HB2      CYS   4   4.160   3.917   3.379
   31    HB3  CYS   4           HB1      CYS   4   2.985   3.479   2.145
   32    H    TYR   5           H        TYR   5   0.843   2.750   3.338
   33    HA   TYR   5           HA       TYR   5   1.443   1.733   5.988
   34    HB2  TYR   5           HB2      TYR   5  -1.071   1.314   6.355
   35    HB3  TYR   5           HB1      TYR   5  -0.428   2.916   6.675
   36    HD1  TYR   5           HD2      TYR   5  -1.516   1.293   3.469
   37    HD2  TYR   5           HD1      TYR   5  -2.109   4.432   6.277
   38    HE1  TYR   5           HE2      TYR   5  -3.234   2.267   2.007
   39    HE2  TYR   5           HE1      TYR   5  -3.831   5.413   4.825
   40    HH   TYR   5           HH       TYR   5  -4.892   5.285   2.882
   41    H    CYS   6           H        CYS   6   1.146  -0.388   6.313
   42    HA   CYS   6           HA       CYS   6   1.178  -2.033   3.952
   43    HB2  CYS   6           HB2      CYS   6   2.725  -2.508   5.761
   44    HB3  CYS   6           HB1      CYS   6   1.395  -2.673   6.900
   45    H    ARG   7           H        ARG   7  -0.592  -3.061   3.132
   46    HA   ARG   7           HA       ARG   7  -2.887  -3.480   4.935
   47    HB2  ARG   7           HB2      ARG   7  -3.119  -2.599   2.051
   48    HB3  ARG   7           HB1      ARG   7  -4.442  -2.866   3.173
   49    HG2  ARG   7           HG2      ARG   7  -2.394  -0.665   3.244
   50    HG3  ARG   7           HG1      ARG   7  -4.123  -0.521   2.939
   51    HD2  ARG   7           HD2      ARG   7  -2.826  -1.365   5.526
   52    HD3  ARG   7           HD1      ARG   7  -3.574   0.195   5.199
   53    HE   ARG   7           HE       ARG   7  -5.529  -1.685   4.728
   54   HH11  ARG   7          HH11      ARG   7  -3.499  -0.785   7.421
   55   HH12  ARG   7          HH12      ARG   7  -4.677  -1.190   8.627
   56   HH21  ARG   7          HH21      ARG   7  -7.103  -2.241   6.318
   57   HH22  ARG   7          HH22      ARG   7  -6.733  -2.021   7.995
   58    H    LYS   8           H        LYS   8  -3.662  -5.478   4.924
   59    HA   LYS   8           HA       LYS   8  -2.561  -7.434   3.101
   60    HB2  LYS   8           HB2      LYS   8  -2.812  -7.983   5.464
   61    HB3  LYS   8           HB1      LYS   8  -4.546  -7.737   5.362
   62    HG2  LYS   8           HG2      LYS   8  -4.606  -9.594   3.673
   63    HG3  LYS   8           HG1      LYS   8  -2.913  -9.905   4.065
   64    HD2  LYS   8           HD2      LYS   8  -4.332 -11.398   5.333
   65    HD3  LYS   8           HD1      LYS   8  -3.553 -10.249   6.423
   66    HE2  LYS   8           HE2      LYS   8  -5.594  -8.896   6.449
   67    HE3  LYS   8           HE1      LYS   8  -6.370 -10.045   5.360
   68    HZ1  LYS   8           HZ1      LYS   8  -6.722 -10.197   7.922
   69    HZ2  LYS   8           HZ2      LYS   8  -5.250 -11.028   7.886
   70    HZ3  LYS   8           HZ3      LYS   8  -6.568 -11.604   6.998
   71    H    GLY   9           H        GLY   9  -3.462  -6.706   1.164
   72    HA2  GLY   9           HA2      GLY   9  -5.687  -7.985   0.209
   73    HA3  GLY   9           HA1      GLY   9  -6.299  -6.455   0.821
   74    H    HIS  10           H        HIS  10  -6.304  -4.791  -0.525
   75    HA   HIS  10           HA       HIS  10  -4.330  -4.645  -2.668
   76    HB2  HIS  10           HB2      HIS  10  -7.315  -4.719  -3.090
   77    HB3  HIS  10           HB1      HIS  10  -6.229  -3.980  -4.262
   78    HD1  HIS  10           HD1      HIS  10  -4.101  -5.828  -4.827
   79    HD2  HIS  10           HD2      HIS  10  -7.870  -7.252  -3.803
   80    HE1  HIS  10           HE1      HIS  10  -4.188  -8.184  -5.697
   81    H    CYS  11           H        CYS  11  -4.076  -3.138  -0.575
   82    HA   CYS  11           HA       CYS  11  -3.796  -1.009   0.147
   83    HB2  CYS  11           HB2      CYS  11  -4.766  -0.211  -2.604
   84    HB3  CYS  11           HB1      CYS  11  -3.868   0.801  -1.479
   85    H    LYS  12           H        LYS  12  -5.169   1.326  -0.354
   86    HA   LYS  12           HA       LYS  12  -8.004   0.968  -0.024
   87    HB2  LYS  12           HB2      LYS  12  -6.242   1.808   2.275
   88    HB3  LYS  12           HB1      LYS  12  -7.903   2.368   2.160
   89    HG2  LYS  12           HG2      LYS  12  -7.031  -0.513   2.278
   90    HG3  LYS  12           HG1      LYS  12  -7.693   0.422   3.621
   91    HD2  LYS  12           HD2      LYS  12  -9.795   0.684   2.452
   92    HD3  LYS  12           HD1      LYS  12  -9.137  -0.114   1.023
   93    HE2  LYS  12           HE2      LYS  12  -8.816  -2.166   2.373
   94    HE3  LYS  12           HE1      LYS  12  -9.590  -1.356   3.733
   95    HZ1  LYS  12           HZ1      LYS  12 -10.893  -1.787   1.102
   96    HZ2  LYS  12           HZ2      LYS  12 -11.620  -1.202   2.512
   97    HZ3  LYS  12           HZ3      LYS  12 -11.095  -2.808   2.436
   98    H    ARG  13           H        ARG  13  -9.113   2.905  -0.406
   99    HA   ARG  13           HA       ARG  13  -9.492   5.029  -1.131
  100    HB2  ARG  13           HB2      ARG  13  -6.617   5.510  -0.340
  101    HB3  ARG  13           HB1      ARG  13  -7.671   6.755  -0.986
  102    HG2  ARG  13           HG2      ARG  13  -8.148   5.219   1.560
  103    HG3  ARG  13           HG1      ARG  13  -7.492   6.853   1.452
  104    HD2  ARG  13           HD2      ARG  13  -9.647   7.404   0.155
  105    HD3  ARG  13           HD1      ARG  13 -10.261   5.888   0.814
  106    HE   ARG  13           HE       ARG  13 -10.533   6.930   2.824
  107   HH11  ARG  13          HH11      ARG  13  -8.324   8.831   0.896
  108   HH12  ARG  13          HH12      ARG  13  -8.169  10.107   2.072
  109   HH21  ARG  13          HH21      ARG  13 -10.337   8.615   4.385
  110   HH22  ARG  13          HH22      ARG  13  -9.313   9.972   4.045
  111    H    GLY  14           H        GLY  14  -6.861   3.160  -2.329
  112    HA2  GLY  14           HA2      GLY  14  -7.510   3.386  -5.004
  113    HA3  GLY  14           HA1      GLY  14  -6.324   4.649  -4.688
  114    H    GLY  15           H        GLY  15  -6.106   2.215  -6.341
  115    HA2  GLY  15           HA2      GLY  15  -4.417   0.356  -4.973
  116    HA3  GLY  15           HA1      GLY  15  -4.690   0.435  -6.706
  117    H    ARG  16           H        ARG  16  -3.244   2.638  -4.315
  118    HA   ARG  16           HA       ARG  16  -1.077   3.217  -6.168
  119    HB2  ARG  16           HB2      ARG  16  -1.721   4.371  -3.446
  120    HB3  ARG  16           HB1      ARG  16  -0.425   4.926  -4.496
  121    HG2  ARG  16           HG2      ARG  16  -2.083   5.549  -6.193
  122    HG3  ARG  16           HG1      ARG  16  -3.372   5.023  -5.110
  123    HD2  ARG  16           HD2      ARG  16  -2.679   6.698  -3.469
  124    HD3  ARG  16           HD1      ARG  16  -1.377   7.214  -4.538
  125    HE   ARG  16           HE       ARG  16  -2.886   8.451  -5.709
  126   HH11  ARG  16          HH11      ARG  16  -4.654   6.119  -3.792
  127   HH12  ARG  16          HH12      ARG  16  -6.214   6.699  -4.278
  128   HH21  ARG  16          HH21      ARG  16  -4.943   9.229  -6.358
  129   HH22  ARG  16          HH22      ARG  16  -6.376   8.472  -5.744
  130    H    VAL  17           H        VAL  17  -0.542   0.846  -5.854
  131    HA   VAL  17           HA       VAL  17   0.601  -0.110  -3.483
  132    HB   VAL  17           HB       VAL  17   1.723  -1.812  -4.938
  133   HG11  VAL  17          HG11      VAL  17  -0.935  -1.979  -6.038
  134   HG12  VAL  17          HG21      VAL  17  -0.980  -1.467  -4.351
  135   HG13  VAL  17          3HG1      VAL  17  -0.169  -2.969  -4.795
  136   HG21  VAL  17          HG12      VAL  17   0.349  -0.320  -7.174
  137   HG22  VAL  17          HG22      VAL  17   1.184  -1.866  -7.320
  138   HG23  VAL  17          HG23      VAL  17   2.091  -0.409  -6.911
  139    H    ARG  18           H        ARG  18   2.529   0.076  -2.585
  140    HA   ARG  18           HA       ARG  18   4.520   1.765  -3.930
  141    HB2  ARG  18           HB2      ARG  18   3.657   2.462  -1.681
  142    HB3  ARG  18           HB1      ARG  18   4.354   0.996  -1.009
  143    HG2  ARG  18           HG2      ARG  18   5.805   2.876  -0.596
  144    HG3  ARG  18           HG1      ARG  18   6.583   1.749  -1.711
  145    HD2  ARG  18           HD2      ARG  18   5.894   3.168  -3.595
  146    HD3  ARG  18           HD1      ARG  18   5.151   4.297  -2.465
  147    HE   ARG  18           HE       ARG  18   7.908   4.118  -3.146
  148   HH11  ARG  18          HH11      ARG  18   5.733   4.952  -0.524
  149   HH12  ARG  18          HH12      ARG  18   6.901   5.932   0.300
  150   HH21  ARG  18          HH21      ARG  18   9.446   5.418  -2.059
  151   HH22  ARG  18          HH22      ARG  18   9.012   6.201  -0.576
  152    H    GLY  19           H        GLY  19   3.979  -1.316  -2.371
  153    HA2  GLY  19           HA2      GLY  19   5.859  -2.732  -3.841
  154    HA3  GLY  19           HA1      GLY  19   6.662  -2.225  -2.359
  155    H    THR  20           H        THR  20   6.759  -4.650  -2.129
  156    HA   THR  20           HA       THR  20   4.254  -5.862  -1.291
  157    HB   THR  20           HB       THR  20   5.871  -7.857  -0.860
  158    HG1  THR  20           HG1      THR  20   7.821  -7.719  -1.909
  159   HG21  THR  20          HG12      THR  20   5.815  -8.430  -3.297
  160   HG22  THR  20          HG22      THR  20   5.232  -6.796  -3.612
  161   HG23  THR  20          HG23      THR  20   4.264  -7.905  -2.643
  162    H    CYS  21           H        CYS  21   3.753  -6.428   0.778
  163    HA   CYS  21           HA       CYS  21   5.554  -5.403   2.869
  164    HB2  CYS  21           HB2      CYS  21   3.300  -4.370   2.751
  165    HB3  CYS  21           HB1      CYS  21   2.585  -5.954   3.033
  166    H    GLY  22           H        GLY  22   6.259  -7.787   1.805
  167    HA2  GLY  22           HA2      GLY  22   7.040  -9.765   2.819
  168    HA3  GLY  22           HA1      GLY  22   5.785  -9.604   4.041
  169    H    ILE  23           H        ILE  23   4.715 -11.507   3.896
  170    HA   ILE  23           HA       ILE  23   3.926 -12.431   1.236
  171    HB   ILE  23           HB       ILE  23   3.311 -14.563   2.286
  172   HG12  ILE  23          HG21      ILE  23   2.850 -13.558   4.584
  173   HG13  ILE  23          HG11      ILE  23   3.699 -15.096   4.560
  174   HG21  ILE  23          HG12      ILE  23   5.371 -14.958   1.544
  175   HG22  ILE  23          HG22      ILE  23   5.854 -14.864   3.238
  176   HG23  ILE  23          HG23      ILE  23   5.999 -13.446   2.199
  177   HD11  ILE  23          HD11      ILE  23   4.539 -12.501   5.580
  178   HD12  ILE  23          HD12      ILE  23   5.758 -13.298   4.585
  179   HD13  ILE  23          HD13      ILE  23   5.094 -14.123   5.996
  180    H    ARG  24           H        ARG  24   1.967 -12.234   0.507
  181    HA   ARG  24           HA       ARG  24  -0.238 -11.792   0.298
  182    HB2  ARG  24           HB2      ARG  24  -0.403 -12.890   3.107
  183    HB3  ARG  24           HB1      ARG  24  -1.768 -12.642   2.026
  184    HG2  ARG  24           HG2      ARG  24  -0.731 -14.244   0.439
  185    HG3  ARG  24           HG1      ARG  24   0.517 -14.562   1.645
  186    HD2  ARG  24           HD2      ARG  24  -1.165 -16.272   1.796
  187    HD3  ARG  24           HD1      ARG  24  -1.257 -15.252   3.230
  188    HE   ARG  24           HE       ARG  24  -3.046 -14.239   1.345
  189   HH11  ARG  24          HH11      ARG  24  -2.632 -17.106   3.300
  190   HH12  ARG  24          HH12      ARG  24  -4.326 -17.456   3.386
  191   HH21  ARG  24          HH21      ARG  24  -5.289 -14.688   1.447
  192   HH22  ARG  24          HH22      ARG  24  -5.844 -16.076   2.324
  193    H    PHE  25           H        PHE  25   1.549  -9.732   1.469
  194    HA   PHE  25           HA       PHE  25  -0.572  -7.977   2.474
  195    HB2  PHE  25           HB2      PHE  25   2.132  -8.432   3.710
  196    HB3  PHE  25           HB1      PHE  25   1.332  -6.877   3.875
  197    HD1  PHE  25           HD1      PHE  25   0.599 -10.511   4.362
  198    HD2  PHE  25           HD2      PHE  25   0.059  -6.521   5.733
  199    HE1  PHE  25           HE1      PHE  25  -0.634 -11.353   6.314
  200    HE2  PHE  25           HE2      PHE  25  -1.175  -7.355   7.689
  201    HZ   PHE  25           HZ       PHE  25  -1.525  -9.775   7.981
  202    H    LEU  26           H        LEU  26  -0.544  -5.963   1.562
  203    HA   LEU  26           HA       LEU  26   1.674  -5.433  -0.300
  204    HB2  LEU  26           HB2      LEU  26  -1.259  -4.835  -0.501
  205    HB3  LEU  26           HB1      LEU  26  -0.091  -3.925  -1.435
  206    HG   LEU  26           HG       LEU  26   0.686  -6.131  -2.407
  207   HD11  LEU  26          HD11      LEU  26  -0.143  -7.723  -0.869
  208   HD12  LEU  26          HD12      LEU  26  -1.071  -7.934  -2.354
  209   HD13  LEU  26          HD13      LEU  26  -1.783  -7.086  -0.983
  210   HD21  LEU  26          HD21      LEU  26  -2.137  -5.901  -3.184
  211   HD22  LEU  26          HD22      LEU  26  -0.674  -5.784  -4.161
  212   HD23  LEU  26          HD23      LEU  26  -1.218  -4.396  -3.217
  213    H    TYR  27           H        TYR  27   2.726  -3.559  -0.200
  214    HA   TYR  27           HA       TYR  27   2.050  -1.729   1.983
  215    HB2  TYR  27           HB2      TYR  27   4.385  -2.657   1.714
  216    HB3  TYR  27           HB1      TYR  27   4.502  -1.769   0.201
  217    HD1  TYR  27           HD2      TYR  27   3.168  -0.782   3.551
  218    HD2  TYR  27           HD1      TYR  27   6.041  -0.081   0.493
  219    HE1  TYR  27           HE2      TYR  27   3.992   1.180   4.782
  220    HE2  TYR  27           HE1      TYR  27   6.874   1.881   1.716
  221    HH   TYR  27           HH       TYR  27   6.447   2.462   4.775
  222    H    CYS  28           H        CYS  28   0.922   0.095   1.491
  223    HA   CYS  28           HA       CYS  28   1.193   1.158  -1.245
  224    HB2  CYS  28           HB2      CYS  28  -1.423   1.139   0.247
  225    HB3  CYS  28           HB1      CYS  28  -1.140   1.464  -1.460
  226    H    CYS  29           H        CYS  29   0.668   3.403  -1.499
  227    HA   CYS  29           HA       CYS  29   0.924   4.941   1.005
  228    HB2  CYS  29           HB2      CYS  29   2.010   5.642  -1.732
  229    HB3  CYS  29           HB1      CYS  29   2.153   6.637  -0.287
  230    HA   PRO  30           HA       PRO  30  -2.879   6.743  -0.458
  231    HB2  PRO  30           HB2      PRO  30  -3.427   8.200   1.728
  232    HB3  PRO  30           HB1      PRO  30  -3.553   6.438   1.731
  233    HG2  PRO  30           HG2      PRO  30  -1.444   8.191   2.881
  234    HG3  PRO  30           HG1      PRO  30  -2.062   6.640   3.469
  235    HD2  PRO  30           HD2      PRO  30   0.303   7.041   2.017
  236    HD3  PRO  30           HD1      PRO  30  -0.497   5.485   2.308
  237    H    ARG  31           H        ARG  31  -3.212   9.438   0.999
  238    HA   ARG  31           HA       ARG  31  -1.275  11.248   0.088
  239    HB2  ARG  31           HB2      ARG  31  -2.225  10.501  -2.140
  240    HB3  ARG  31           HB1      ARG  31  -3.747  11.237  -1.653
  241    HG2  ARG  31           HG2      ARG  31  -2.482  12.729  -3.091
  242    HG3  ARG  31           HG1      ARG  31  -2.638  13.409  -1.467
  243    HD2  ARG  31           HD2      ARG  31  -0.381  12.556  -0.934
  244    HD3  ARG  31           HD1      ARG  31  -0.232  11.979  -2.593
  245    HE   ARG  31           HE       ARG  31  -0.851  14.707  -2.660
  246   HH11  ARG  31          HH11      ARG  31   1.753  12.594  -1.681
  247   HH12  ARG  31          HH12      ARG  31   2.995  13.766  -1.969
  248   HH21  ARG  31          HH21      ARG  31   0.784  16.274  -3.047
  249   HH22  ARG  31          HH22      ARG  31   2.441  15.870  -2.751
  250    H    ARG  32           H        ARG  32  -4.728  10.746   0.629
  251    HA   ARG  32           HA       ARG  32  -4.718  12.851   2.615
  252    HB2  ARG  32           HB2      ARG  32  -6.797  13.878   1.623
  253    HB3  ARG  32           HB1      ARG  32  -5.315  14.170   0.723
  254    HG2  ARG  32           HG2      ARG  32  -5.919  12.526  -0.918
  255    HG3  ARG  32           HG1      ARG  32  -7.328  12.042   0.028
  256    HD2  ARG  32           HD2      ARG  32  -6.877  14.762  -1.192
  257    HD3  ARG  32           HD1      ARG  32  -7.934  13.510  -1.843
  258    HE   ARG  32           HE       ARG  32  -8.701  14.000   0.797
  259   HH11  ARG  32          HH11      ARG  32  -8.641  15.660  -2.280
  260   HH12  ARG  32          HH12      ARG  32 -10.015  16.651  -1.927
  261   HH21  ARG  32          HH21      ARG  32 -10.525  15.306   1.278
  262   HH22  ARG  32          HH22      ARG  32 -11.093  16.449   0.106
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1   6.541  10.503  -0.984
    2    H2   GLY   1           2HT      GLY   1   8.071  10.580  -0.258
    3    H3   GLY   1           3HT      GLY   1   6.732  11.250   0.526
    4    HA2  GLY   1           HA1      GLY   1   5.999   8.659   0.096
    5    HA3  GLY   1           HA2      GLY   1   7.695   8.568   0.563
    6    H    LEU   2           H        LEU   2   7.730   7.991   2.622
    7    HA   LEU   2           HA       LEU   2   7.586   8.106   4.874
    8    HB2  LEU   2           HB2      LEU   2   6.175  10.731   4.398
    9    HB3  LEU   2           HB1      LEU   2   6.692  10.137   5.964
   10    HG   LEU   2           HG       LEU   2   8.532  10.797   3.661
   11   HD11  LEU   2          HD11      LEU   2   9.137  12.758   4.848
   12   HD12  LEU   2          HD12      LEU   2   8.189  12.278   6.256
   13   HD13  LEU   2          HD13      LEU   2   7.375  12.738   4.761
   14   HD21  LEU   2          HD21      LEU   2  10.286  10.602   5.441
   15   HD22  LEU   2          HD22      LEU   2   9.524   9.079   4.982
   16   HD23  LEU   2          HD23      LEU   2   9.058   9.882   6.482
   17    H    LEU   3           H        LEU   3   4.495   9.432   3.651
   18    HA   LEU   3           HA       LEU   3   2.989   7.958   5.593
   19    HB2  LEU   3           HB2      LEU   3   2.167   9.541   3.160
   20    HB3  LEU   3           HB1      LEU   3   1.015   8.720   4.192
   21    HG   LEU   3           HG       LEU   3   1.993  10.130   6.106
   22   HD11  LEU   3          HD11      LEU   3   3.460  11.769   5.719
   23   HD12  LEU   3          HD12      LEU   3   2.681  12.240   4.208
   24   HD13  LEU   3          HD13      LEU   3   3.821  10.894   4.231
   25   HD21  LEU   3          HD21      LEU   3   0.595  11.768   4.029
   26   HD22  LEU   3          HD22      LEU   3   0.372  11.758   5.778
   27   HD23  LEU   3          HD23      LEU   3  -0.214  10.407   4.806
   28    H    CYS   4           H        CYS   4   2.839   5.837   5.465
   29    HA   CYS   4           HA       CYS   4   1.890   4.585   3.022
   30    HB2  CYS   4           HB2      CYS   4   4.448   3.719   4.390
   31    HB3  CYS   4           HB1      CYS   4   3.632   2.820   3.122
   32    H    TYR   5           H        TYR   5   1.401   2.211   3.467
   33    HA   TYR   5           HA       TYR   5   1.090   1.493   6.234
   34    HB2  TYR   5           HB2      TYR   5  -1.392   1.106   6.025
   35    HB3  TYR   5           HB1      TYR   5  -0.881   2.780   6.163
   36    HD1  TYR   5           HD1      TYR   5  -1.826   0.237   3.591
   37    HD2  TYR   5           HD2      TYR   5  -1.722   4.348   4.677
   38    HE1  TYR   5           HE1      TYR   5  -3.159   0.791   1.605
   39    HE2  TYR   5           HE2      TYR   5  -3.050   4.910   2.687
   40    HH   TYR   5           HH       TYR   5  -3.788   4.116   0.679
   41    H    CYS   6           H        CYS   6   1.134  -0.554   6.593
   42    HA   CYS   6           HA       CYS   6   1.397  -2.361   4.330
   43    HB2  CYS   6           HB2      CYS   6   3.145  -2.493   5.980
   44    HB3  CYS   6           HB1      CYS   6   1.970  -2.641   7.279
   45    H    ARG   7           H        ARG   7  -0.314  -3.557   3.707
   46    HA   ARG   7           HA       ARG   7  -2.171  -4.576   5.708
   47    HB2  ARG   7           HB2      ARG   7  -2.985  -2.705   3.489
   48    HB3  ARG   7           HB1      ARG   7  -4.126  -3.754   4.318
   49    HG2  ARG   7           HG2      ARG   7  -4.019  -2.560   6.270
   50    HG3  ARG   7           HG1      ARG   7  -2.407  -1.933   5.926
   51    HD2  ARG   7           HD2      ARG   7  -4.040  -0.157   5.760
   52    HD3  ARG   7           HD1      ARG   7  -3.350  -0.501   4.178
   53    HE   ARG   7           HE       ARG   7  -6.087  -1.026   5.034
   54   HH11  ARG   7          HH11      ARG   7  -3.643  -1.279   2.535
   55   HH12  ARG   7          HH12      ARG   7  -4.771  -1.703   1.289
   56   HH21  ARG   7          HH21      ARG   7  -7.583  -1.571   3.370
   57   HH22  ARG   7          HH22      ARG   7  -7.004  -1.839   1.756
   58    H    LYS   8           H        LYS   8  -3.174  -6.436   5.121
   59    HA   LYS   8           HA       LYS   8  -2.194  -7.782   2.759
   60    HB2  LYS   8           HB2      LYS   8  -2.464  -8.850   5.022
   61    HB3  LYS   8           HB1      LYS   8  -4.200  -8.788   4.778
   62    HG2  LYS   8           HG2      LYS   8  -3.897 -10.162   2.728
   63    HG3  LYS   8           HG1      LYS   8  -2.191 -10.325   3.145
   64    HD2  LYS   8           HD2      LYS   8  -3.438 -12.272   3.894
   65    HD3  LYS   8           HD1      LYS   8  -2.825 -11.365   5.278
   66    HE2  LYS   8           HE2      LYS   8  -5.022 -10.323   5.564
   67    HE3  LYS   8           HE1      LYS   8  -5.631 -11.221   4.175
   68    HZ1  LYS   8           HZ1      LYS   8  -5.970 -13.007   5.424
   69    HZ2  LYS   8           HZ2      LYS   8  -5.690 -12.038   6.781
   70    HZ3  LYS   8           HZ3      LYS   8  -4.423 -12.936   6.111
   71    H    GLY   9           H        GLY   9  -3.524  -5.719   1.866
   72    HA2  GLY   9           HA2      GLY   9  -5.579  -6.805   0.248
   73    HA3  GLY   9           HA1      GLY   9  -6.286  -5.842   1.538
   74    H    HIS  10           H        HIS  10  -6.537  -5.248  -1.188
   75    HA   HIS  10           HA       HIS  10  -4.773  -3.491  -2.330
   76    HB2  HIS  10           HB2      HIS  10  -6.527  -2.717  -3.716
   77    HB3  HIS  10           HB1      HIS  10  -6.936  -4.380  -3.325
   78    HD1  HIS  10           HD1      HIS  10  -8.664  -4.447  -1.056
   79    HD2  HIS  10           HD2      HIS  10  -8.656  -1.090  -3.507
   80    HE1  HIS  10           HE1      HIS  10 -10.845  -3.285  -0.611
   81    H    CYS  11           H        CYS  11  -4.513  -1.283  -2.396
   82    HA   CYS  11           HA       CYS  11  -4.423   0.076   0.014
   83    HB2  CYS  11           HB2      CYS  11  -4.576   1.516  -2.613
   84    HB3  CYS  11           HB1      CYS  11  -3.576   1.874  -1.208
   85    H    LYS  12           H        LYS  12  -5.445   2.128   0.584
   86    HA   LYS  12           HA       LYS  12  -8.285   1.899   0.577
   87    HB2  LYS  12           HB2      LYS  12  -6.435   4.077   1.556
   88    HB3  LYS  12           HB1      LYS  12  -8.178   4.112   1.774
   89    HG2  LYS  12           HG2      LYS  12  -6.455   1.870   2.790
   90    HG3  LYS  12           HG1      LYS  12  -6.822   3.312   3.738
   91    HD2  LYS  12           HD2      LYS  12  -8.876   1.432   2.572
   92    HD3  LYS  12           HD1      LYS  12  -8.325   1.415   4.248
   93    HE2  LYS  12           HE2      LYS  12  -9.707   3.714   2.861
   94    HE3  LYS  12           HE1      LYS  12 -10.454   2.604   4.007
   95    HZ1  LYS  12           HZ1      LYS  12  -8.105   4.260   4.722
   96    HZ2  LYS  12           HZ2      LYS  12  -9.169   3.452   5.760
   97    HZ3  LYS  12           HZ3      LYS  12  -9.692   4.818   4.910
   98    H    ARG  13           H        ARG  13  -9.723   2.740  -0.742
   99    HA   ARG  13           HA       ARG  13 -10.718   3.865  -2.424
  100    HB2  ARG  13           HB2      ARG  13  -9.022   5.831  -1.081
  101    HB3  ARG  13           HB1      ARG  13  -9.417   6.262  -2.738
  102    HG2  ARG  13           HG2      ARG  13 -11.590   5.378  -0.895
  103    HG3  ARG  13           HG1      ARG  13 -10.951   7.019  -0.777
  104    HD2  ARG  13           HD2      ARG  13 -12.903   6.946  -2.237
  105    HD3  ARG  13           HD1      ARG  13 -11.457   7.391  -3.140
  106    HE   ARG  13           HE       ARG  13 -11.616   5.438  -4.340
  107   HH11  ARG  13          HH11      ARG  13 -13.931   5.393  -1.712
  108   HH12  ARG  13          HH12      ARG  13 -14.686   3.921  -2.226
  109   HH21  ARG  13          HH21      ARG  13 -12.603   3.491  -5.024
  110   HH22  ARG  13          HH22      ARG  13 -13.928   2.835  -4.119
  111    H    GLY  14           H        GLY  14  -8.251   2.217  -3.063
  112    HA2  GLY  14           HA2      GLY  14  -8.274   2.446  -5.788
  113    HA3  GLY  14           HA1      GLY  14  -7.023   3.568  -5.277
  114    H    GLY  15           H        GLY  15  -5.224   2.597  -5.938
  115    HA2  GLY  15           HA2      GLY  15  -4.343   0.246  -4.530
  116    HA3  GLY  15           HA1      GLY  15  -4.599  -0.016  -6.250
  117    H    ARG  16           H        ARG  16  -3.162   2.559  -4.252
  118    HA   ARG  16           HA       ARG  16  -1.043   2.879  -6.210
  119    HB2  ARG  16           HB2      ARG  16  -2.215   4.830  -5.079
  120    HB3  ARG  16           HB1      ARG  16  -1.363   4.378  -3.607
  121    HG2  ARG  16           HG2      ARG  16   0.776   4.735  -4.717
  122    HG3  ARG  16           HG1      ARG  16  -0.062   5.158  -6.211
  123    HD2  ARG  16           HD2      ARG  16  -0.282   6.638  -3.591
  124    HD3  ARG  16           HD1      ARG  16   0.685   7.143  -4.974
  125    HE   ARG  16           HE       ARG  16  -2.101   7.547  -4.602
  126   HH11  ARG  16          HH11      ARG  16   0.288   6.931  -7.091
  127   HH12  ARG  16          HH12      ARG  16  -0.655   7.644  -8.355
  128   HH21  ARG  16          HH21      ARG  16  -3.348   8.492  -6.268
  129   HH22  ARG  16          HH22      ARG  16  -2.729   8.538  -7.885
  130    H    VAL  17           H        VAL  17  -0.569   0.542  -5.570
  131    HA   VAL  17           HA       VAL  17   0.788  -0.006  -3.134
  132    HB   VAL  17           HB       VAL  17   1.036  -1.513  -5.745
  133   HG11  VAL  17          HG11      VAL  17   1.082  -2.973  -3.208
  134   HG12  VAL  17          HG21      VAL  17   2.438  -1.869  -3.440
  135   HG13  VAL  17          3HG1      VAL  17   2.114  -3.129  -4.630
  136   HG21  VAL  17          HG12      VAL  17  -1.080  -1.641  -3.614
  137   HG22  VAL  17          HG22      VAL  17  -0.761  -2.987  -4.710
  138   HG23  VAL  17          HG23      VAL  17  -1.281  -1.430  -5.353
  139    H    ARG  18           H        ARG  18   2.876   0.279  -2.598
  140    HA   ARG  18           HA       ARG  18   4.654   1.346  -4.680
  141    HB2  ARG  18           HB2      ARG  18   4.777   1.656  -1.676
  142    HB3  ARG  18           HB1      ARG  18   5.977   2.288  -2.797
  143    HG2  ARG  18           HG2      ARG  18   3.068   3.061  -2.683
  144    HG3  ARG  18           HG1      ARG  18   4.434   4.029  -2.125
  145    HD2  ARG  18           HD2      ARG  18   4.238   3.074  -4.964
  146    HD3  ARG  18           HD1      ARG  18   3.438   4.551  -4.434
  147    HE   ARG  18           HE       ARG  18   6.247   4.165  -4.890
  148   HH11  ARG  18          HH11      ARG  18   3.869   6.053  -3.152
  149   HH12  ARG  18          HH12      ARG  18   4.915   7.424  -2.944
  150   HH21  ARG  18          HH21      ARG  18   7.637   5.993  -4.597
  151   HH22  ARG  18          HH22      ARG  18   7.027   7.398  -3.764
  152    H    GLY  19           H        GLY  19   4.162  -1.241  -2.472
  153    HA2  GLY  19           HA2      GLY  19   6.170  -2.826  -3.676
  154    HA3  GLY  19           HA1      GLY  19   6.745  -2.218  -2.129
  155    H    THR  20           H        THR  20   6.768  -4.664  -1.837
  156    HA   THR  20           HA       THR  20   4.129  -5.640  -1.016
  157    HB   THR  20           HB       THR  20   5.454  -7.865  -0.820
  158    HG1  THR  20           HG1      THR  20   7.299  -7.938  -2.132
  159   HG21  THR  20          HG12      THR  20   4.658  -8.462  -2.877
  160   HG22  THR  20          HG22      THR  20   5.289  -7.014  -3.663
  161   HG23  THR  20          HG23      THR  20   3.818  -6.922  -2.695
  162    H    CYS  21           H        CYS  21   3.743  -6.274   1.074
  163    HA   CYS  21           HA       CYS  21   5.822  -5.518   3.012
  164    HB2  CYS  21           HB2      CYS  21   3.618  -4.336   3.121
  165    HB3  CYS  21           HB1      CYS  21   2.865  -5.879   3.508
  166    H    GLY  22           H        GLY  22   6.270  -7.890   1.834
  167    HA2  GLY  22           HA2      GLY  22   7.033  -9.902   2.850
  168    HA3  GLY  22           HA1      GLY  22   5.731  -9.764   4.023
  169    H    ILE  23           H        ILE  23   4.646 -11.632   3.757
  170    HA   ILE  23           HA       ILE  23   4.069 -12.597   1.078
  171    HB   ILE  23           HB       ILE  23   3.366 -13.829   3.745
  172   HG12  ILE  23          HG21      ILE  23   5.612 -14.505   1.830
  173   HG13  ILE  23          HG11      ILE  23   5.812 -13.619   3.337
  174   HG21  ILE  23          HG12      ILE  23   2.614 -15.704   2.632
  175   HG22  ILE  23          HG22      ILE  23   3.518 -15.327   1.166
  176   HG23  ILE  23          HG23      ILE  23   2.061 -14.416   1.562
  177   HD11  ILE  23          HD11      ILE  23   5.326 -15.507   4.634
  178   HD12  ILE  23          HD12      ILE  23   6.380 -16.091   3.347
  179   HD13  ILE  23          HD13      ILE  23   4.642 -16.378   3.262
  180    H    ARG  24           H        ARG  24   2.352 -11.957   0.040
  181    HA   ARG  24           HA       ARG  24   0.244 -11.406  -0.533
  182    HB2  ARG  24           HB2      ARG  24  -0.429 -12.597   2.152
  183    HB3  ARG  24           HB1      ARG  24  -1.632 -12.087   0.976
  184    HG2  ARG  24           HG2      ARG  24   0.459 -14.214   0.549
  185    HG3  ARG  24           HG1      ARG  24  -1.251 -14.490   0.887
  186    HD2  ARG  24           HD2      ARG  24  -0.185 -13.003  -1.512
  187    HD3  ARG  24           HD1      ARG  24  -0.668 -14.697  -1.517
  188    HE   ARG  24           HE       ARG  24  -2.383 -12.404  -1.619
  189   HH11  ARG  24          HH11      ARG  24  -2.202 -15.770  -0.671
  190   HH12  ARG  24          HH12      ARG  24  -3.914 -16.020  -0.737
  191   HH21  ARG  24          HH21      ARG  24  -4.652 -12.725  -1.708
  192   HH22  ARG  24          HH22      ARG  24  -5.312 -14.281  -1.330
  193    H    PHE  25           H        PHE  25   1.839  -9.767   1.816
  194    HA   PHE  25           HA       PHE  25  -0.364  -7.933   2.372
  195    HB2  PHE  25           HB2      PHE  25   2.383  -8.270   3.532
  196    HB3  PHE  25           HB1      PHE  25   1.505  -6.761   3.754
  197    HD1  PHE  25           HD2      PHE  25   0.777 -10.423   4.020
  198    HD2  PHE  25           HD1      PHE  25   0.413  -6.548   5.735
  199    HE1  PHE  25           HE2      PHE  25  -0.408 -11.392   5.945
  200    HE2  PHE  25           HE1      PHE  25  -0.770  -7.509   7.666
  201    HZ   PHE  25           HZ       PHE  25  -1.185  -9.933   7.769
  202    H    LEU  26           H        LEU  26  -0.526  -5.942   1.525
  203    HA   LEU  26           HA       LEU  26   1.424  -5.231  -0.545
  204    HB2  LEU  26           HB2      LEU  26  -1.422  -4.341  -0.080
  205    HB3  LEU  26           HB1      LEU  26  -0.375  -3.618  -1.281
  206    HG   LEU  26           HG       LEU  26  -1.772  -5.132  -2.435
  207   HD11  LEU  26          HD11      LEU  26  -0.178  -6.870  -3.247
  208   HD12  LEU  26          HD12      LEU  26   0.941  -6.348  -1.989
  209   HD13  LEU  26          HD13      LEU  26   0.454  -5.225  -3.258
  210   HD21  LEU  26          HD21      LEU  26  -2.436  -7.211  -1.762
  211   HD22  LEU  26          HD22      LEU  26  -2.207  -6.438  -0.193
  212   HD23  LEU  26          HD23      LEU  26  -0.962  -7.507  -0.840
  213    H    TYR  27           H        TYR  27   2.631  -3.438  -0.422
  214    HA   TYR  27           HA       TYR  27   2.337  -1.780   1.982
  215    HB2  TYR  27           HB2      TYR  27   4.545  -2.898   1.519
  216    HB3  TYR  27           HB1      TYR  27   4.679  -1.917   0.066
  217    HD1  TYR  27           HD1      TYR  27   3.668  -1.143   3.584
  218    HD2  TYR  27           HD2      TYR  27   6.305  -0.308   0.352
  219    HE1  TYR  27           HE1      TYR  27   4.714   0.646   4.907
  220    HE2  TYR  27           HE2      TYR  27   7.358   1.484   1.665
  221    HH   TYR  27           HH       TYR  27   7.032   2.848   3.512
  222    H    CYS  28           H        CYS  28   0.697  -0.446   1.310
  223    HA   CYS  28           HA       CYS  28   1.023   1.044  -1.183
  224    HB2  CYS  28           HB2      CYS  28  -1.273   1.009   0.780
  225    HB3  CYS  28           HB1      CYS  28  -1.268   1.814  -0.783
  226    H    CYS  29           H        CYS  29   0.981   3.309  -1.279
  227    HA   CYS  29           HA       CYS  29   1.336   4.722   1.274
  228    HB2  CYS  29           HB2      CYS  29   3.053   5.170  -1.183
  229    HB3  CYS  29           HB1      CYS  29   3.158   6.060   0.332
  230    HA   PRO  30           HA       PRO  30  -1.728   7.173  -0.915
  231    HB2  PRO  30           HB2      PRO  30  -2.532   8.652   1.172
  232    HB3  PRO  30           HB1      PRO  30  -2.952   6.940   1.040
  233    HG2  PRO  30           HG2      PRO  30  -0.811   8.243   2.675
  234    HG3  PRO  30           HG1      PRO  30  -1.921   6.935   3.123
  235    HD2  PRO  30           HD2      PRO  30   0.680   6.544   2.326
  236    HD3  PRO  30           HD1      PRO  30  -0.604   5.331   2.165
  237    H    ARG  31           H        ARG  31   1.201   7.859  -0.724
  238    HA   ARG  31           HA       ARG  31   0.978  10.636  -1.497
  239    HB2  ARG  31           HB2      ARG  31   2.629   9.736   0.870
  240    HB3  ARG  31           HB1      ARG  31   3.001  11.202  -0.022
  241    HG2  ARG  31           HG2      ARG  31   0.392  10.652   1.380
  242    HG3  ARG  31           HG1      ARG  31   1.718  11.612   2.038
  243    HD2  ARG  31           HD2      ARG  31   1.517  13.114   0.054
  244    HD3  ARG  31           HD1      ARG  31   0.082  12.208  -0.425
  245    HE   ARG  31           HE       ARG  31   0.256  14.222   1.588
  246   HH11  ARG  31          HH11      ARG  31  -1.486  11.316   0.673
  247   HH12  ARG  31          HH12      ARG  31  -2.879  11.708   1.631
  248   HH21  ARG  31          HH21      ARG  31  -1.585  14.727   2.849
  249   HH22  ARG  31          HH22      ARG  31  -2.933  13.643   2.868
  250    H    ARG  32           H        ARG  32   2.662  11.246  -2.879
  251    HA   ARG  32           HA       ARG  32   3.928   9.150  -4.292
  252    HB2  ARG  32           HB2      ARG  32   3.301  11.279  -5.355
  253    HB3  ARG  32           HB1      ARG  32   4.468  12.129  -4.352
  254    HG2  ARG  32           HG2      ARG  32   5.298  11.776  -6.620
  255    HG3  ARG  32           HG1      ARG  32   6.293  10.942  -5.424
  256    HD2  ARG  32           HD2      ARG  32   5.201   8.839  -5.941
  257    HD3  ARG  32           HD1      ARG  32   4.117   9.652  -7.068
  258    HE   ARG  32           HE       ARG  32   6.768   8.758  -7.583
  259   HH11  ARG  32          HH11      ARG  32   4.483  11.279  -8.411
  260   HH12  ARG  32          HH12      ARG  32   5.201  11.606  -9.953
  261   HH21  ARG  32          HH21      ARG  32   7.723   9.184  -9.620
  262   HH22  ARG  32          HH22      ARG  32   7.049  10.408 -10.644
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1   8.593  10.385   0.382
    2    H2   GLY   1           2HT      GLY   1   8.301   9.897   1.981
    3    H3   GLY   1           3HT      GLY   1   9.177  11.308   1.681
    4    HA2  GLY   1           HA1      GLY   1   7.369  12.555   1.439
    5    HA3  GLY   1           HA2      GLY   1   6.595  11.328   0.447
    6    H    LEU   2           H        LEU   2   4.682  10.887   1.302
    7    HA   LEU   2           HA       LEU   2   4.113  11.128   4.097
    8    HB2  LEU   2           HB2      LEU   2   2.470   9.901   1.879
    9    HB3  LEU   2           HB1      LEU   2   1.884  10.307   3.480
   10    HG   LEU   2           HG       LEU   2   2.884  12.302   1.443
   11   HD11  LEU   2          HD11      LEU   2   0.360  12.953   1.641
   12   HD12  LEU   2          HD12      LEU   2   0.170  11.270   2.137
   13   HD13  LEU   2          HD13      LEU   2   0.861  11.652   0.559
   14   HD21  LEU   2          HD21      LEU   2   1.268  13.430   3.495
   15   HD22  LEU   2          HD22      LEU   2   2.952  13.775   3.099
   16   HD23  LEU   2          HD23      LEU   2   2.561  12.497   4.251
   17    H    LEU   3           H        LEU   3   3.230   9.378   5.396
   18    HA   LEU   3           HA       LEU   3   4.924   7.095   5.365
   19    HB2  LEU   3           HB2      LEU   3   2.521   7.806   7.041
   20    HB3  LEU   3           HB1      LEU   3   3.426   6.323   7.258
   21    HG   LEU   3           HG       LEU   3   5.473   7.817   7.632
   22   HD11  LEU   3          HD11      LEU   3   4.365   9.871   6.731
   23   HD12  LEU   3          HD12      LEU   3   5.123  10.068   8.311
   24   HD13  LEU   3          HD13      LEU   3   3.372   9.897   8.188
   25   HD21  LEU   3          HD21      LEU   3   3.224   7.218   9.416
   26   HD22  LEU   3          HD22      LEU   3   4.308   8.486   9.987
   27   HD23  LEU   3          HD23      LEU   3   4.947   6.887   9.603
   28    H    CYS   4           H        CYS   4   4.565   5.069   4.691
   29    HA   CYS   4           HA       CYS   4   2.308   4.590   2.955
   30    HB2  CYS   4           HB2      CYS   4   4.599   2.776   3.725
   31    HB3  CYS   4           HB1      CYS   4   3.436   2.472   2.445
   32    H    TYR   5           H        TYR   5   1.152   2.441   3.131
   33    HA   TYR   5           HA       TYR   5   0.858   1.570   5.904
   34    HB2  TYR   5           HB2      TYR   5  -1.638   1.524   5.619
   35    HB3  TYR   5           HB1      TYR   5  -0.924   3.120   5.750
   36    HD1  TYR   5           HD2      TYR   5  -2.542   0.734   3.451
   37    HD2  TYR   5           HD1      TYR   5  -1.089   4.699   3.950
   38    HE1  TYR   5           HE2      TYR   5  -3.745   1.422   1.422
   39    HE2  TYR   5           HE1      TYR   5  -2.296   5.402   1.927
   40    HH   TYR   5           HH       TYR   5  -4.705   3.584   0.487
   41    H    CYS   6           H        CYS   6   0.855  -0.454   6.183
   42    HA   CYS   6           HA       CYS   6   0.893  -2.245   3.913
   43    HB2  CYS   6           HB2      CYS   6   2.591  -2.596   5.557
   44    HB3  CYS   6           HB1      CYS   6   1.413  -2.599   6.858
   45    H    ARG   7           H        ARG   7  -0.963  -3.077   3.205
   46    HA   ARG   7           HA       ARG   7  -2.970  -3.974   5.152
   47    HB2  ARG   7           HB2      ARG   7  -3.698  -2.362   2.695
   48    HB3  ARG   7           HB1      ARG   7  -4.813  -3.025   3.873
   49    HG2  ARG   7           HG2      ARG   7  -2.822  -0.818   4.339
   50    HG3  ARG   7           HG1      ARG   7  -4.568  -0.648   4.182
   51    HD2  ARG   7           HD2      ARG   7  -3.052  -2.034   6.382
   52    HD3  ARG   7           HD1      ARG   7  -3.983  -0.545   6.503
   53    HE   ARG   7           HE       ARG   7  -5.700  -2.564   5.619
   54   HH11  ARG   7          HH11      ARG   7  -3.830  -1.760   8.456
   55   HH12  ARG   7          HH12      ARG   7  -4.909  -2.541   9.561
   56   HH21  ARG   7          HH21      ARG   7  -7.141  -3.620   7.070
   57   HH22  ARG   7          HH22      ARG   7  -6.800  -3.605   8.768
   58    H    LYS   8           H        LYS   8  -4.119  -5.780   4.515
   59    HA   LYS   8           HA       LYS   8  -3.074  -7.156   2.185
   60    HB2  LYS   8           HB2      LYS   8  -3.243  -8.375   4.337
   61    HB3  LYS   8           HB1      LYS   8  -4.989  -8.160   4.299
   62    HG2  LYS   8           HG2      LYS   8  -5.191  -9.522   2.354
   63    HG3  LYS   8           HG1      LYS   8  -3.441  -9.584   2.151
   64    HD2  LYS   8           HD2      LYS   8  -3.268 -10.778   4.308
   65    HD3  LYS   8           HD1      LYS   8  -5.031 -10.778   4.420
   66    HE2  LYS   8           HE2      LYS   8  -4.122 -12.905   3.550
   67    HE3  LYS   8           HE1      LYS   8  -5.203 -12.101   2.412
   68    HZ1  LYS   8           HZ1      LYS   8  -3.553 -11.789   0.946
   69    HZ2  LYS   8           HZ2      LYS   8  -2.771 -13.031   1.784
   70    HZ3  LYS   8           HZ3      LYS   8  -2.400 -11.415   2.127
   71    H    GLY   9           H        GLY   9  -4.110  -7.115   0.319
   72    HA2  GLY   9           HA2      GLY   9  -6.553  -7.679  -0.454
   73    HA3  GLY   9           HA1      GLY   9  -6.847  -6.090   0.243
   74    H    HIS  10           H        HIS  10  -6.406  -4.323  -0.919
   75    HA   HIS  10           HA       HIS  10  -4.583  -4.342  -3.128
   76    HB2  HIS  10           HB2      HIS  10  -6.225  -3.743  -4.872
   77    HB3  HIS  10           HB1      HIS  10  -6.487  -5.367  -4.257
   78    HD1  HIS  10           HD1      HIS  10  -8.840  -4.498  -5.615
   79    HD2  HIS  10           HD2      HIS  10  -8.156  -3.227  -1.716
   80    HE1  HIS  10           HE1      HIS  10 -11.088  -3.807  -4.727
   81    H    CYS  11           H        CYS  11  -4.680  -2.944  -0.773
   82    HA   CYS  11           HA       CYS  11  -4.300  -0.869   0.037
   83    HB2  CYS  11           HB2      CYS  11  -4.731   0.041  -2.810
   84    HB3  CYS  11           HB1      CYS  11  -4.089   1.037  -1.509
   85    H    LYS  12           H        LYS  12  -5.402   0.921   0.855
   86    HA   LYS  12           HA       LYS  12  -8.305   0.815   0.420
   87    HB2  LYS  12           HB2      LYS  12  -6.740   1.934   2.761
   88    HB3  LYS  12           HB1      LYS  12  -8.493   1.908   2.627
   89    HG2  LYS  12           HG2      LYS  12  -6.757  -0.550   2.661
   90    HG3  LYS  12           HG1      LYS  12  -7.559   0.126   4.077
   91    HD2  LYS  12           HD2      LYS  12  -9.217  -0.452   1.674
   92    HD3  LYS  12           HD1      LYS  12  -8.644  -1.818   2.630
   93    HE2  LYS  12           HE2      LYS  12 -10.824  -1.188   3.417
   94    HE3  LYS  12           HE1      LYS  12  -9.635  -0.764   4.644
   95    HZ1  LYS  12           HZ1      LYS  12  -9.770   1.514   4.028
   96    HZ2  LYS  12           HZ2      LYS  12 -11.354   0.957   4.235
   97    HZ3  LYS  12           HZ3      LYS  12 -10.731   1.169   2.679
   98    H    ARG  13           H        ARG  13  -9.329   2.531  -0.414
   99    HA   ARG  13           HA       ARG  13  -9.741   4.561  -1.328
  100    HB2  ARG  13           HB2      ARG  13  -9.168   5.383   0.952
  101    HB3  ARG  13           HB1      ARG  13  -7.498   5.564   0.439
  102    HG2  ARG  13           HG2      ARG  13  -8.625   7.700   0.411
  103    HG3  ARG  13           HG1      ARG  13  -8.194   7.217  -1.230
  104    HD2  ARG  13           HD2      ARG  13 -10.494   6.431  -1.586
  105    HD3  ARG  13           HD1      ARG  13 -10.917   6.954   0.045
  106    HE   ARG  13           HE       ARG  13  -9.821   9.131  -1.331
  107   HH11  ARG  13          HH11      ARG  13 -12.682   7.122  -1.390
  108   HH12  ARG  13          HH12      ARG  13 -13.701   8.359  -2.045
  109   HH21  ARG  13          HH21      ARG  13 -11.157  10.775  -2.206
  110   HH22  ARG  13          HH22      ARG  13 -12.829  10.444  -2.512
  111    H    GLY  14           H        GLY  14  -8.529   3.048  -3.016
  112    HA2  GLY  14           HA2      GLY  14  -7.598   3.630  -5.136
  113    HA3  GLY  14           HA1      GLY  14  -6.586   4.815  -4.325
  114    H    GLY  15           H        GLY  15  -6.211   2.306  -6.095
  115    HA2  GLY  15           HA2      GLY  15  -4.600   0.546  -4.500
  116    HA3  GLY  15           HA1      GLY  15  -4.793   0.496  -6.243
  117    H    ARG  16           H        ARG  16  -3.295   2.553  -3.741
  118    HA   ARG  16           HA       ARG  16  -1.238   3.341  -5.635
  119    HB2  ARG  16           HB2      ARG  16  -1.794   4.167  -2.788
  120    HB3  ARG  16           HB1      ARG  16  -0.360   4.684  -3.659
  121    HG2  ARG  16           HG2      ARG  16  -1.790   6.468  -3.939
  122    HG3  ARG  16           HG1      ARG  16  -2.036   5.553  -5.428
  123    HD2  ARG  16           HD2      ARG  16  -4.163   6.282  -4.501
  124    HD3  ARG  16           HD1      ARG  16  -4.034   4.524  -4.462
  125    HE   ARG  16           HE       ARG  16  -4.137   4.597  -2.181
  126   HH11  ARG  16          HH11      ARG  16  -3.487   7.826  -3.365
  127   HH12  ARG  16          HH12      ARG  16  -3.555   8.554  -1.797
  128   HH21  ARG  16          HH21      ARG  16  -4.183   5.537  -0.108
  129   HH22  ARG  16          HH22      ARG  16  -3.957   7.249   0.065
  130    H    VAL  17           H        VAL  17  -0.845   0.820  -5.549
  131    HA   VAL  17           HA       VAL  17   0.717  -0.167  -3.370
  132    HB   VAL  17           HB       VAL  17   0.718  -1.228  -6.199
  133   HG11  VAL  17          HG11      VAL  17   2.437  -2.073  -4.598
  134   HG12  VAL  17          HG21      VAL  17   1.354  -3.312  -5.232
  135   HG13  VAL  17          3HG1      VAL  17   1.122  -2.690  -3.598
  136   HG21  VAL  17          HG12      VAL  17  -1.329  -2.091  -5.979
  137   HG22  VAL  17          HG22      VAL  17  -1.541  -0.934  -4.665
  138   HG23  VAL  17          HG23      VAL  17  -1.036  -2.588  -4.313
  139    H    ARG  18           H        ARG  18   2.839   0.152  -2.970
  140    HA   ARG  18           HA       ARG  18   4.529   1.025  -5.212
  141    HB2  ARG  18           HB2      ARG  18   4.152   2.359  -2.577
  142    HB3  ARG  18           HB1      ARG  18   5.765   2.355  -3.274
  143    HG2  ARG  18           HG2      ARG  18   4.801   4.364  -3.977
  144    HG3  ARG  18           HG1      ARG  18   4.697   3.299  -5.377
  145    HD2  ARG  18           HD2      ARG  18   2.355   2.771  -4.711
  146    HD3  ARG  18           HD1      ARG  18   2.492   3.988  -3.442
  147    HE   ARG  18           HE       ARG  18   2.230   5.618  -5.016
  148   HH11  ARG  18          HH11      ARG  18   2.808   2.566  -6.638
  149   HH12  ARG  18          HH12      ARG  18   2.656   3.237  -8.230
  150   HH21  ARG  18          HH21      ARG  18   2.015   6.506  -7.120
  151   HH22  ARG  18          HH22      ARG  18   2.199   5.482  -8.504
  152    H    GLY  19           H        GLY  19   3.980  -1.329  -3.088
  153    HA2  GLY  19           HA2      GLY  19   6.425  -2.626  -3.491
  154    HA3  GLY  19           HA1      GLY  19   6.483  -1.853  -1.912
  155    H    THR  20           H        THR  20   6.741  -4.370  -1.617
  156    HA   THR  20           HA       THR  20   4.073  -5.515  -1.159
  157    HB   THR  20           HB       THR  20   5.442  -7.687  -0.899
  158    HG1  THR  20           HG1      THR  20   7.529  -7.251  -1.013
  159   HG21  THR  20          HG12      THR  20   4.633  -6.244  -3.334
  160   HG22  THR  20          HG22      THR  20   4.211  -7.866  -2.785
  161   HG23  THR  20          HG23      THR  20   5.753  -7.581  -3.592
  162    H    CYS  21           H        CYS  21   3.507  -6.185   0.883
  163    HA   CYS  21           HA       CYS  21   5.383  -5.439   3.016
  164    HB2  CYS  21           HB2      CYS  21   3.220  -4.282   3.045
  165    HB3  CYS  21           HB1      CYS  21   2.388  -5.832   3.115
  166    H    GLY  22           H        GLY  22   6.506  -7.135   3.753
  167    HA2  GLY  22           HA2      GLY  22   6.976  -9.235   4.579
  168    HA3  GLY  22           HA1      GLY  22   5.254  -9.408   4.880
  169    H    ILE  23           H        ILE  23   4.555 -11.196   3.984
  170    HA   ILE  23           HA       ILE  23   5.119 -11.670   1.166
  171    HB   ILE  23           HB       ILE  23   6.750 -13.020   2.476
  172   HG12  ILE  23          HG21      ILE  23   6.287 -15.194   1.361
  173   HG13  ILE  23          HG11      ILE  23   4.676 -14.612   0.953
  174   HG21  ILE  23          HG12      ILE  23   5.359 -15.161   3.454
  175   HG22  ILE  23          HG22      ILE  23   4.337 -13.799   3.908
  176   HG23  ILE  23          HG23      ILE  23   6.025 -13.841   4.413
  177   HD11  ILE  23          HD11      ILE  23   6.470 -12.661   0.037
  178   HD12  ILE  23          HD12      ILE  23   5.510 -13.788  -0.920
  179   HD13  ILE  23          HD13      ILE  23   7.145 -14.223  -0.426
  180    H    ARG  24           H        ARG  24   2.876 -10.597   2.419
  181    HA   ARG  24           HA       ARG  24   0.822 -12.180   1.290
  182    HB2  ARG  24           HB2      ARG  24  -0.440 -12.755   3.321
  183    HB3  ARG  24           HB1      ARG  24   1.123 -13.558   3.267
  184    HG2  ARG  24           HG2      ARG  24   2.024 -11.881   4.814
  185    HG3  ARG  24           HG1      ARG  24   0.437 -11.112   4.886
  186    HD2  ARG  24           HD2      ARG  24  -0.488 -13.276   5.718
  187    HD3  ARG  24           HD1      ARG  24   1.162 -13.892   5.797
  188    HE   ARG  24           HE       ARG  24   1.023 -11.478   7.224
  189   HH11  ARG  24          HH11      ARG  24  -0.077 -14.794   7.444
  190   HH12  ARG  24          HH12      ARG  24  -0.170 -14.788   9.173
  191   HH21  ARG  24          HH21      ARG  24   0.906 -11.461   9.511
  192   HH22  ARG  24          HH22      ARG  24   0.392 -12.886  10.353
  193    H    PHE  25           H        PHE  25   1.922  -9.261   2.297
  194    HA   PHE  25           HA       PHE  25  -0.768  -8.085   2.226
  195    HB2  PHE  25           HB2      PHE  25   1.483  -7.538   4.125
  196    HB3  PHE  25           HB1      PHE  25   0.409  -6.224   3.673
  197    HD1  PHE  25           HD1      PHE  25  -0.157  -9.823   4.541
  198    HD2  PHE  25           HD2      PHE  25  -1.035  -5.743   5.353
  199    HE1  PHE  25           HE1      PHE  25  -1.770 -10.516   6.262
  200    HE2  PHE  25           HE2      PHE  25  -2.649  -6.426   7.075
  201    HZ   PHE  25           HZ       PHE  25  -3.021  -8.815   7.526
  202    H    LEU  26           H        LEU  26  -0.786  -5.836   1.461
  203    HA   LEU  26           HA       LEU  26   1.307  -5.419  -0.554
  204    HB2  LEU  26           HB2      LEU  26  -1.514  -4.377  -0.336
  205    HB3  LEU  26           HB1      LEU  26  -0.362  -3.747  -1.493
  206    HG   LEU  26           HG       LEU  26  -0.170  -6.142  -2.373
  207   HD11  LEU  26          HD11      LEU  26  -2.885  -6.587  -1.237
  208   HD12  LEU  26          HD12      LEU  26  -1.474  -6.952  -0.241
  209   HD13  LEU  26          HD13      LEU  26  -1.685  -7.755  -1.797
  210   HD21  LEU  26          HD21      LEU  26  -1.233  -4.612  -3.763
  211   HD22  LEU  26          HD22      LEU  26  -2.587  -4.396  -2.652
  212   HD23  LEU  26          HD23      LEU  26  -2.430  -5.894  -3.570
  213    H    TYR  27           H        TYR  27   2.592  -3.651  -0.514
  214    HA   TYR  27           HA       TYR  27   2.331  -1.879   1.802
  215    HB2  TYR  27           HB2      TYR  27   4.515  -3.098   1.141
  216    HB3  TYR  27           HB1      TYR  27   4.632  -1.900  -0.141
  217    HD1  TYR  27           HD1      TYR  27   3.586  -1.602   3.432
  218    HD2  TYR  27           HD2      TYR  27   6.346  -0.447   0.407
  219    HE1  TYR  27           HE1      TYR  27   4.664  -0.060   5.013
  220    HE2  TYR  27           HE2      TYR  27   7.431   1.100   1.980
  221    HH   TYR  27           HH       TYR  27   7.652   1.254   4.548
  222    H    CYS  28           H        CYS  28   0.777  -0.462   1.228
  223    HA   CYS  28           HA       CYS  28   0.896   0.846  -1.368
  224    HB2  CYS  28           HB2      CYS  28  -1.144   1.246   0.810
  225    HB3  CYS  28           HB1      CYS  28  -1.309   1.613  -0.905
  226    H    CYS  29           H        CYS  29   1.306   2.962  -1.696
  227    HA   CYS  29           HA       CYS  29   1.809   4.678   0.638
  228    HB2  CYS  29           HB2      CYS  29   3.601   4.570  -1.799
  229    HB3  CYS  29           HB1      CYS  29   3.827   5.569  -0.371
  230    HA   PRO  30           HA       PRO  30  -0.987   7.182  -1.838
  231    HB2  PRO  30           HB2      PRO  30  -0.163   9.291   0.074
  232    HB3  PRO  30           HB1      PRO  30  -1.782   8.698  -0.310
  233    HG2  PRO  30           HG2      PRO  30  -0.599   8.104   2.016
  234    HG3  PRO  30           HG1      PRO  30  -1.633   6.933   1.177
  235    HD2  PRO  30           HD2      PRO  30   1.353   7.062   1.331
  236    HD3  PRO  30           HD1      PRO  30   0.280   5.646   1.367
  237    H    ARG  31           H        ARG  31   2.018   8.469  -0.549
  238    HA   ARG  31           HA       ARG  31   3.152   9.122  -3.066
  239    HB2  ARG  31           HB2      ARG  31   1.796  11.262  -1.487
  240    HB3  ARG  31           HB1      ARG  31   3.371  11.647  -2.162
  241    HG2  ARG  31           HG2      ARG  31   2.620  11.426  -4.357
  242    HG3  ARG  31           HG1      ARG  31   1.192  10.507  -3.873
  243    HD2  ARG  31           HD2      ARG  31   0.648  12.814  -4.538
  244    HD3  ARG  31           HD1      ARG  31   0.223  12.476  -2.863
  245    HE   ARG  31           HE       ARG  31   2.805  13.604  -2.981
  246   HH11  ARG  31          HH11      ARG  31  -0.561  14.461  -3.383
  247   HH12  ARG  31          HH12      ARG  31  -0.337  16.115  -2.921
  248   HH21  ARG  31          HH21      ARG  31   3.117  15.794  -2.359
  249   HH22  ARG  31          HH22      ARG  31   1.765  16.875  -2.334
  250    H    ARG  32           H        ARG  32   5.267   8.683  -2.670
  251    HA   ARG  32           HA       ARG  32   6.353   9.485  -0.071
  252    HB2  ARG  32           HB2      ARG  32   7.561   7.345   0.118
  253    HB3  ARG  32           HB1      ARG  32   5.820   7.122   0.138
  254    HG2  ARG  32           HG2      ARG  32   6.407   5.429  -1.257
  255    HG3  ARG  32           HG1      ARG  32   6.187   6.715  -2.444
  256    HD2  ARG  32           HD2      ARG  32   8.603   7.156  -2.397
  257    HD3  ARG  32           HD1      ARG  32   8.811   5.854  -1.227
  258    HE   ARG  32           HE       ARG  32   8.600   5.600  -4.043
  259   HH11  ARG  32          HH11      ARG  32   7.750   3.973  -1.057
  260   HH12  ARG  32          HH12      ARG  32   7.682   2.400  -1.780
  261   HH21  ARG  32          HH21      ARG  32   8.514   3.513  -5.000
  262   HH22  ARG  32          HH22      ARG  32   8.113   2.136  -4.024
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1   5.593  13.138   3.357
    2    H2   GLY   1           2HT      GLY   1   6.708  13.111   4.630
    3    H3   GLY   1           3HT      GLY   1   5.722  14.463   4.405
    4    HA2  GLY   1           HA1      GLY   1   4.738  13.347   6.181
    5    HA3  GLY   1           HA2      GLY   1   3.765  12.936   4.774
    6    H    LEU   2           H        LEU   2   5.170  11.018   3.517
    7    HA   LEU   2           HA       LEU   2   5.570   8.786   3.480
    8    HB2  LEU   2           HB2      LEU   2   6.753   9.449   6.167
    9    HB3  LEU   2           HB1      LEU   2   6.739   7.810   5.553
   10    HG   LEU   2           HG       LEU   2   8.879   8.664   5.072
   11   HD11  LEU   2          HD11      LEU   2   8.996   8.023   2.936
   12   HD12  LEU   2          HD12      LEU   2   7.847   9.247   2.396
   13   HD13  LEU   2          HD13      LEU   2   7.262   7.739   3.100
   14   HD21  LEU   2          HD21      LEU   2   9.224  10.775   3.809
   15   HD22  LEU   2          HD22      LEU   2   8.534  11.007   5.415
   16   HD23  LEU   2          HD23      LEU   2   7.503  11.113   3.988
   17    H    LEU   3           H        LEU   3   3.009   9.515   4.067
   18    HA   LEU   3           HA       LEU   3   2.025   8.018   6.317
   19    HB2  LEU   3           HB2      LEU   3  -0.220   8.643   5.456
   20    HB3  LEU   3           HB1      LEU   3   0.831  10.005   5.773
   21    HG   LEU   3           HG       LEU   3   0.569   8.916   2.987
   22   HD11  LEU   3          HD11      LEU   3  -1.417  10.464   4.553
   23   HD12  LEU   3          HD12      LEU   3  -1.657   9.316   3.236
   24   HD13  LEU   3          HD13      LEU   3  -1.125  10.961   2.886
   25   HD21  LEU   3          HD21      LEU   3   1.223  11.121   2.340
   26   HD22  LEU   3          HD22      LEU   3   2.339  10.586   3.598
   27   HD23  LEU   3          HD23      LEU   3   1.046  11.720   3.989
   28    H    CYS   4           H        CYS   4   3.382   6.203   5.070
   29    HA   CYS   4           HA       CYS   4   1.891   4.771   3.072
   30    HB2  CYS   4           HB2      CYS   4   4.270   3.916   4.725
   31    HB3  CYS   4           HB1      CYS   4   3.622   3.040   3.349
   32    H    TYR   5           H        TYR   5   1.304   2.455   3.414
   33    HA   TYR   5           HA       TYR   5   0.752   1.609   6.096
   34    HB2  TYR   5           HB2      TYR   5  -1.739   1.378   5.685
   35    HB3  TYR   5           HB1      TYR   5  -1.145   3.001   5.997
   36    HD1  TYR   5           HD2      TYR   5  -1.929   0.740   3.121
   37    HD2  TYR   5           HD1      TYR   5  -1.870   4.715   4.626
   38    HE1  TYR   5           HE2      TYR   5  -3.054   1.520   1.085
   39    HE2  TYR   5           HE1      TYR   5  -3.004   5.507   2.592
   40    HH   TYR   5           HH       TYR   5  -4.008   4.909   0.690
   41    H    CYS   6           H        CYS   6   0.552  -0.475   6.322
   42    HA   CYS   6           HA       CYS   6   0.977  -2.129   3.975
   43    HB2  CYS   6           HB2      CYS   6   2.392  -2.425   5.961
   44    HB3  CYS   6           HB1      CYS   6   0.970  -2.795   6.925
   45    H    ARG   7           H        ARG   7  -0.699  -3.145   3.006
   46    HA   ARG   7           HA       ARG   7  -3.028  -3.890   4.650
   47    HB2  ARG   7           HB2      ARG   7  -3.253  -2.636   1.907
   48    HB3  ARG   7           HB1      ARG   7  -4.580  -3.135   2.941
   49    HG2  ARG   7           HG2      ARG   7  -2.657  -0.875   3.449
   50    HG3  ARG   7           HG1      ARG   7  -4.347  -0.735   2.968
   51    HD2  ARG   7           HD2      ARG   7  -3.286  -1.846   5.563
   52    HD3  ARG   7           HD1      ARG   7  -4.120  -0.312   5.335
   53    HE   ARG   7           HE       ARG   7  -5.869  -2.214   4.413
   54   HH11  ARG   7          HH11      ARG   7  -4.194  -1.615   7.419
   55   HH12  ARG   7          HH12      ARG   7  -5.456  -2.261   8.414
   56   HH21  ARG   7          HH21      ARG   7  -7.555  -3.085   5.720
   57   HH22  ARG   7          HH22      ARG   7  -7.374  -3.103   7.442
   58    H    LYS   8           H        LYS   8  -3.766  -5.890   4.272
   59    HA   LYS   8           HA       LYS   8  -2.376  -7.631   2.508
   60    HB2  LYS   8           HB2      LYS   8  -3.214  -8.548   4.549
   61    HB3  LYS   8           HB1      LYS   8  -4.843  -7.986   4.211
   62    HG2  LYS   8           HG2      LYS   8  -5.080  -9.596   2.433
   63    HG3  LYS   8           HG1      LYS   8  -3.397 -10.091   2.612
   64    HD2  LYS   8           HD2      LYS   8  -5.478 -10.343   4.780
   65    HD3  LYS   8           HD1      LYS   8  -5.040 -11.643   3.671
   66    HE2  LYS   8           HE2      LYS   8  -2.736 -11.557   4.475
   67    HE3  LYS   8           HE1      LYS   8  -3.159 -10.241   5.567
   68    HZ1  LYS   8           HZ1      LYS   8  -4.865 -12.501   5.913
   69    HZ2  LYS   8           HZ2      LYS   8  -3.934 -11.672   7.055
   70    HZ3  LYS   8           HZ3      LYS   8  -3.239 -12.912   6.137
   71    H    GLY   9           H        GLY   9  -5.295  -5.806   2.322
   72    HA2  GLY   9           HA2      GLY   9  -6.365  -7.161   0.025
   73    HA3  GLY   9           HA1      GLY   9  -6.967  -5.669   0.729
   74    H    HIS  10           H        HIS  10  -6.643  -3.847  -0.367
   75    HA   HIS  10           HA       HIS  10  -4.381  -3.629  -2.196
   76    HB2  HIS  10           HB2      HIS  10  -7.268  -3.324  -3.027
   77    HB3  HIS  10           HB1      HIS  10  -5.934  -2.646  -3.953
   78    HD1  HIS  10           HD1      HIS  10  -3.967  -4.790  -4.258
   79    HD2  HIS  10           HD2      HIS  10  -8.039  -5.618  -4.197
   80    HE1  HIS  10           HE1      HIS  10  -4.217  -7.006  -5.413
   81    H    CYS  11           H        CYS  11  -3.944  -2.315  -0.195
   82    HA   CYS  11           HA       CYS  11  -3.568  -0.272   0.739
   83    HB2  CYS  11           HB2      CYS  11  -4.824   0.891  -1.746
   84    HB3  CYS  11           HB1      CYS  11  -3.701   1.682  -0.648
   85    H    LYS  12           H        LYS  12  -5.207   2.089   0.269
   86    HA   LYS  12           HA       LYS  12  -7.767   1.291   1.450
   87    HB2  LYS  12           HB2      LYS  12  -5.642   2.927   2.688
   88    HB3  LYS  12           HB1      LYS  12  -7.267   3.584   2.816
   89    HG2  LYS  12           HG2      LYS  12  -6.465   0.813   3.681
   90    HG3  LYS  12           HG1      LYS  12  -6.611   2.208   4.754
   91    HD2  LYS  12           HD2      LYS  12  -8.829   1.015   3.086
   92    HD3  LYS  12           HD1      LYS  12  -8.622   0.812   4.827
   93    HE2  LYS  12           HE2      LYS  12  -8.930   3.193   5.171
   94    HE3  LYS  12           HE1      LYS  12  -9.033   3.456   3.430
   95    HZ1  LYS  12           HZ1      LYS  12 -11.226   3.362   3.930
   96    HZ2  LYS  12           HZ2      LYS  12 -11.015   2.341   5.262
   97    HZ3  LYS  12           HZ3      LYS  12 -10.967   1.706   3.694
   98    H    ARG  13           H        ARG  13  -7.432   1.960  -1.183
   99    HA   ARG  13           HA       ARG  13  -9.266   4.102  -1.458
  100    HB2  ARG  13           HB2      ARG  13  -7.072   5.335  -1.095
  101    HB3  ARG  13           HB1      ARG  13  -6.549   4.677  -2.641
  102    HG2  ARG  13           HG2      ARG  13  -8.426   5.786  -3.750
  103    HG3  ARG  13           HG1      ARG  13  -8.947   6.448  -2.199
  104    HD2  ARG  13           HD2      ARG  13  -6.726   7.572  -2.019
  105    HD3  ARG  13           HD1      ARG  13  -6.371   7.024  -3.656
  106    HE   ARG  13           HE       ARG  13  -7.934   9.266  -2.918
  107   HH11  ARG  13          HH11      ARG  13  -7.788   6.712  -5.316
  108   HH12  ARG  13          HH12      ARG  13  -8.651   7.612  -6.515
  109   HH21  ARG  13          HH21      ARG  13  -9.071  10.457  -4.505
  110   HH22  ARG  13          HH22      ARG  13  -9.381   9.747  -6.054
  111    H    GLY  14           H        GLY  14  -6.890   1.983  -2.989
  112    HA2  GLY  14           HA2      GLY  14  -8.678   0.798  -4.732
  113    HA3  GLY  14           HA1      GLY  14  -7.999   2.165  -5.602
  114    H    GLY  15           H        GLY  15  -5.462   2.251  -5.305
  115    HA2  GLY  15           HA2      GLY  15  -4.103  -0.229  -5.022
  116    HA3  GLY  15           HA1      GLY  15  -4.400   0.119  -6.717
  117    H    ARG  16           H        ARG  16  -3.432   2.120  -3.935
  118    HA   ARG  16           HA       ARG  16  -1.395   3.396  -5.586
  119    HB2  ARG  16           HB2      ARG  16  -2.959   4.668  -4.024
  120    HB3  ARG  16           HB1      ARG  16  -2.054   3.969  -2.690
  121    HG2  ARG  16           HG2      ARG  16  -1.225   6.165  -3.079
  122    HG3  ARG  16           HG1      ARG  16   0.002   5.019  -3.621
  123    HD2  ARG  16           HD2      ARG  16  -0.774   5.305  -5.934
  124    HD3  ARG  16           HD1      ARG  16  -1.972   6.473  -5.379
  125    HE   ARG  16           HE       ARG  16  -0.333   8.056  -5.279
  126   HH11  ARG  16          HH11      ARG  16   1.179   4.906  -5.472
  127   HH12  ARG  16          HH12      ARG  16   2.784   5.539  -5.562
  128   HH21  ARG  16          HH21      ARG  16   1.783   8.902  -5.381
  129   HH22  ARG  16          HH22      ARG  16   3.131   7.826  -5.513
  130    H    VAL  17           H        VAL  17  -0.899   0.763  -5.203
  131    HA   VAL  17           HA       VAL  17   0.632   0.061  -2.961
  132    HB   VAL  17           HB       VAL  17   0.946  -1.122  -5.716
  133   HG11  VAL  17          HG11      VAL  17   2.509  -1.729  -3.778
  134   HG12  VAL  17          HG21      VAL  17   1.743  -3.044  -4.668
  135   HG13  VAL  17          3HG1      VAL  17   1.113  -2.561  -3.093
  136   HG21  VAL  17          HG12      VAL  17  -1.202  -1.577  -3.660
  137   HG22  VAL  17          HG22      VAL  17  -0.822  -2.756  -4.916
  138   HG23  VAL  17          HG23      VAL  17  -1.388  -1.147  -5.361
  139    H    ARG  18           H        ARG  18   2.727   0.166  -2.488
  140    HA   ARG  18           HA       ARG  18   4.457   1.689  -4.312
  141    HB2  ARG  18           HB2      ARG  18   4.033   2.701  -2.082
  142    HB3  ARG  18           HB1      ARG  18   4.723   1.274  -1.325
  143    HG2  ARG  18           HG2      ARG  18   6.289   3.161  -1.395
  144    HG3  ARG  18           HG1      ARG  18   6.885   1.760  -2.286
  145    HD2  ARG  18           HD2      ARG  18   5.374   3.927  -3.694
  146    HD3  ARG  18           HD1      ARG  18   7.091   4.128  -3.336
  147    HE   ARG  18           HE       ARG  18   6.666   1.626  -4.577
  148   HH11  ARG  18          HH11      ARG  18   6.709   5.046  -5.329
  149   HH12  ARG  18          HH12      ARG  18   7.110   4.807  -6.996
  150   HH21  ARG  18          HH21      ARG  18   7.189   1.300  -6.762
  151   HH22  ARG  18          HH22      ARG  18   7.385   2.661  -7.818
  152    H    GLY  19           H        GLY  19   4.106  -1.203  -2.397
  153    HA2  GLY  19           HA2      GLY  19   5.820  -2.739  -4.010
  154    HA3  GLY  19           HA1      GLY  19   6.701  -2.240  -2.570
  155    H    THR  20           H        THR  20   6.768  -4.595  -2.170
  156    HA   THR  20           HA       THR  20   4.249  -5.768  -1.309
  157    HB   THR  20           HB       THR  20   5.864  -7.756  -0.810
  158    HG1  THR  20           HG1      THR  20   7.799  -7.660  -1.894
  159   HG21  THR  20          HG12      THR  20   4.296  -7.047  -2.958
  160   HG22  THR  20          HG22      THR  20   5.059  -8.620  -2.718
  161   HG23  THR  20          HG23      THR  20   5.853  -7.395  -3.709
  162    H    CYS  21           H        CYS  21   3.747  -6.299   0.768
  163    HA   CYS  21           HA       CYS  21   5.537  -5.231   2.848
  164    HB2  CYS  21           HB2      CYS  21   3.288  -4.178   2.672
  165    HB3  CYS  21           HB1      CYS  21   2.564  -5.744   3.026
  166    H    GLY  22           H        GLY  22   6.166  -7.686   1.824
  167    HA2  GLY  22           HA2      GLY  22   6.933  -9.620   2.948
  168    HA3  GLY  22           HA1      GLY  22   5.648  -9.409   4.130
  169    H    ILE  23           H        ILE  23   4.660 -11.368   4.020
  170    HA   ILE  23           HA       ILE  23   3.966 -12.442   1.407
  171    HB   ILE  23           HB       ILE  23   3.210 -14.458   2.592
  172   HG12  ILE  23          HG21      ILE  23   2.626 -13.238   4.758
  173   HG13  ILE  23          HG11      ILE  23   3.428 -14.792   4.926
  174   HG21  ILE  23          HG12      ILE  23   5.385 -14.622   1.835
  175   HG22  ILE  23          HG22      ILE  23   5.533 -15.045   3.540
  176   HG23  ILE  23          HG23      ILE  23   5.987 -13.432   2.989
  177   HD11  ILE  23          HD11      ILE  23   4.623 -12.060   5.300
  178   HD12  ILE  23          HD12      ILE  23   5.573 -13.545   5.249
  179   HD13  ILE  23          HD13      ILE  23   4.370 -13.311   6.517
  180    H    ARG  24           H        ARG  24   2.091 -12.202   0.502
  181    HA   ARG  24           HA       ARG  24  -0.047 -11.598   0.081
  182    HB2  ARG  24           HB2      ARG  24  -0.344 -13.732   1.405
  183    HB3  ARG  24           HB1      ARG  24  -0.676 -12.728   2.809
  184    HG2  ARG  24           HG2      ARG  24  -2.742 -13.482   1.805
  185    HG3  ARG  24           HG1      ARG  24  -2.587 -11.732   1.634
  186    HD2  ARG  24           HD2      ARG  24  -1.709 -12.117  -0.673
  187    HD3  ARG  24           HD1      ARG  24  -2.088 -13.827  -0.476
  188    HE   ARG  24           HE       ARG  24  -4.368 -12.251   0.078
  189   HH11  ARG  24          HH11      ARG  24  -2.405 -13.372  -2.589
  190   HH12  ARG  24          HH12      ARG  24  -3.682 -13.260  -3.751
  191   HH21  ARG  24          HH21      ARG  24  -6.067 -12.098  -1.451
  192   HH22  ARG  24          HH22      ARG  24  -5.775 -12.536  -3.101
  193    H    PHE  25           H        PHE  25   1.469  -9.523   1.008
  194    HA   PHE  25           HA       PHE  25  -0.577  -7.807   2.144
  195    HB2  PHE  25           HB2      PHE  25   2.007  -8.446   3.501
  196    HB3  PHE  25           HB1      PHE  25   1.431  -6.786   3.564
  197    HD1  PHE  25           HD2      PHE  25  -0.556  -6.205   4.797
  198    HD2  PHE  25           HD1      PHE  25   0.845 -10.219   4.671
  199    HE1  PHE  25           HE2      PHE  25  -2.014  -6.767   6.694
  200    HE2  PHE  25           HE1      PHE  25  -0.611 -10.789   6.569
  201    HZ   PHE  25           HZ       PHE  25  -2.044  -9.062   7.583
  202    H    LEU  26           H        LEU  26  -0.531  -5.824   1.247
  203    HA   LEU  26           HA       LEU  26   1.720  -5.242  -0.555
  204    HB2  LEU  26           HB2      LEU  26  -1.175  -4.407  -0.665
  205    HB3  LEU  26           HB1      LEU  26   0.061  -3.652  -1.647
  206    HG   LEU  26           HG       LEU  26  -1.013  -5.217  -3.042
  207   HD11  LEU  26          HD11      LEU  26   1.688  -5.908  -2.096
  208   HD12  LEU  26          HD12      LEU  26   1.112  -5.507  -3.713
  209   HD13  LEU  26          HD13      LEU  26   0.866  -7.129  -3.068
  210   HD21  LEU  26          HD21      LEU  26  -1.510  -6.636  -0.677
  211   HD22  LEU  26          HD22      LEU  26  -0.562  -7.713  -1.703
  212   HD23  LEU  26          HD23      LEU  26  -2.068  -7.022  -2.305
  213    H    TYR  27           H        TYR  27   2.890  -3.462  -0.255
  214    HA   TYR  27           HA       TYR  27   2.185  -1.731   2.006
  215    HB2  TYR  27           HB2      TYR  27   4.481  -2.855   1.788
  216    HB3  TYR  27           HB1      TYR  27   4.780  -1.746   0.453
  217    HD1  TYR  27           HD2      TYR  27   3.185  -1.242   3.795
  218    HD2  TYR  27           HD1      TYR  27   6.344  -0.193   1.145
  219    HE1  TYR  27           HE2      TYR  27   3.961   0.451   5.400
  220    HE2  TYR  27           HE1      TYR  27   7.131   1.501   2.744
  221    HH   TYR  27           HH       TYR  27   6.659   2.610   4.635
  222    H    CYS  28           H        CYS  28   1.113   0.090   1.483
  223    HA   CYS  28           HA       CYS  28   1.579   1.204  -1.201
  224    HB2  CYS  28           HB2      CYS  28  -0.835   1.698   0.530
  225    HB3  CYS  28           HB1      CYS  28  -0.636   2.049  -1.186
  226    H    CYS  29           H        CYS  29   1.784   3.406  -1.497
  227    HA   CYS  29           HA       CYS  29   1.992   5.120   0.863
  228    HB2  CYS  29           HB2      CYS  29   4.190   4.830  -1.202
  229    HB3  CYS  29           HB1      CYS  29   4.145   6.057   0.057
  230    HA   PRO  30           HA       PRO  30  -0.339   7.461  -2.207
  231    HB2  PRO  30           HB2      PRO  30  -0.505   9.441  -0.033
  232    HB3  PRO  30           HB1      PRO  30  -1.804   8.608  -0.890
  233    HG2  PRO  30           HG2      PRO  30  -1.199   8.025   1.661
  234    HG3  PRO  30           HG1      PRO  30  -1.745   6.782   0.522
  235    HD2  PRO  30           HD2      PRO  30   1.030   7.398   1.468
  236    HD3  PRO  30           HD1      PRO  30   0.252   5.821   1.211
  237    H    ARG  31           H        ARG  31   2.017   8.918  -0.006
  238    HA   ARG  31           HA       ARG  31   3.587  10.010  -2.082
  239    HB2  ARG  31           HB2      ARG  31   3.311  12.395  -1.625
  240    HB3  ARG  31           HB1      ARG  31   1.803  11.699  -2.192
  241    HG2  ARG  31           HG2      ARG  31   2.260  11.929   0.741
  242    HG3  ARG  31           HG1      ARG  31   1.861  13.378  -0.182
  243    HD2  ARG  31           HD2      ARG  31  -0.139  12.209  -1.064
  244    HD3  ARG  31           HD1      ARG  31   0.245  10.837  -0.026
  245    HE   ARG  31           HE       ARG  31  -0.716  11.954   1.702
  246   HH11  ARG  31          HH11      ARG  31   0.166  14.319  -0.727
  247   HH12  ARG  31          HH12      ARG  31  -0.526  15.652   0.133
  248   HH21  ARG  31          HH21      ARG  31  -1.634  13.714   2.841
  249   HH22  ARG  31          HH22      ARG  31  -1.551  15.307   2.167
  250    H    ARG  32           H        ARG  32   5.459  11.179  -1.201
  251    HA   ARG  32           HA       ARG  32   6.345   9.934   1.218
  252    HB2  ARG  32           HB2      ARG  32   8.468  11.157   0.789
  253    HB3  ARG  32           HB1      ARG  32   7.930  10.186  -0.574
  254    HG2  ARG  32           HG2      ARG  32   7.300  12.062  -1.815
  255    HG3  ARG  32           HG1      ARG  32   7.301  13.109  -0.397
  256    HD2  ARG  32           HD2      ARG  32   9.230  13.556  -1.820
  257    HD3  ARG  32           HD1      ARG  32   9.729  12.934  -0.251
  258    HE   ARG  32           HE       ARG  32   9.959  11.589  -2.829
  259   HH11  ARG  32          HH11      ARG  32  10.408  11.478   0.639
  260   HH12  ARG  32          HH12      ARG  32  11.431  10.080   0.597
  261   HH21  ARG  32          HH21      ARG  32  11.319   9.741  -2.898
  262   HH22  ARG  32          HH22      ARG  32  11.952   9.090  -1.423
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1   1.958  14.732   3.276
    2    H2   GLY   1           2HT      GLY   1   0.866  15.517   2.250
    3    H3   GLY   1           3HT      GLY   1   2.498  15.411   1.824
    4    HA2  GLY   1           HA1      GLY   1   0.594  13.746   0.934
    5    HA3  GLY   1           HA2      GLY   1   2.310  13.357   1.001
    6    H    LEU   2           H        LEU   2  -0.269  11.770   1.397
    7    HA   LEU   2           HA       LEU   2  -0.291  10.966   4.123
    8    HB2  LEU   2           HB2      LEU   2  -1.441   9.716   1.635
    9    HB3  LEU   2           HB1      LEU   2  -1.624   9.000   3.222
   10    HG   LEU   2           HG       LEU   2  -3.633  10.158   2.785
   11   HD11  LEU   2          HD11      LEU   2  -1.793  11.403   4.732
   12   HD12  LEU   2          HD12      LEU   2  -3.346  10.606   4.981
   13   HD13  LEU   2          HD13      LEU   2  -3.292  12.264   4.380
   14   HD21  LEU   2          HD21      LEU   2  -2.015  12.604   2.087
   15   HD22  LEU   2          HD22      LEU   2  -3.773  12.470   2.082
   16   HD23  LEU   2          HD23      LEU   2  -2.816  11.542   0.928
   17    H    LEU   3           H        LEU   3   0.578   9.204   5.107
   18    HA   LEU   3           HA       LEU   3   3.030   8.210   4.029
   19    HB2  LEU   3           HB2      LEU   3   1.520   7.606   6.567
   20    HB3  LEU   3           HB1      LEU   3   3.021   6.803   6.149
   21    HG   LEU   3           HG       LEU   3   3.576   8.525   7.672
   22   HD11  LEU   3          HD11      LEU   3   4.417  10.196   5.508
   23   HD12  LEU   3          HD12      LEU   3   4.572   8.499   5.054
   24   HD13  LEU   3          HD13      LEU   3   5.365   9.098   6.511
   25   HD21  LEU   3          HD21      LEU   3   2.968  10.976   6.685
   26   HD22  LEU   3          HD22      LEU   3   2.020  10.124   7.905
   27   HD23  LEU   3          HD23      LEU   3   1.543  10.053   6.208
   28    H    CYS   4           H        CYS   4   3.570   6.012   3.674
   29    HA   CYS   4           HA       CYS   4   1.585   4.570   2.230
   30    HB2  CYS   4           HB2      CYS   4   4.314   3.610   3.092
   31    HB3  CYS   4           HB1      CYS   4   3.326   2.958   1.791
   32    H    TYR   5           H        TYR   5   1.077   2.277   2.641
   33    HA   TYR   5           HA       TYR   5   1.311   1.352   5.372
   34    HB2  TYR   5           HB2      TYR   5  -1.148   1.079   5.651
   35    HB3  TYR   5           HB1      TYR   5  -0.644   2.764   5.585
   36    HD1  TYR   5           HD2      TYR   5  -2.255   0.049   3.648
   37    HD2  TYR   5           HD1      TYR   5  -1.472   4.224   3.900
   38    HE1  TYR   5           HE2      TYR   5  -3.881   0.454   1.853
   39    HE2  TYR   5           HE1      TYR   5  -3.102   4.640   2.105
   40    HH   TYR   5           HH       TYR   5  -4.683   3.739   0.796
   41    H    CYS   6           H        CYS   6   1.231  -0.812   5.559
   42    HA   CYS   6           HA       CYS   6   0.780  -2.266   3.063
   43    HB2  CYS   6           HB2      CYS   6   2.205  -4.033   4.012
   44    HB3  CYS   6           HB1      CYS   6   3.043  -2.492   3.907
   45    H    ARG   7           H        ARG   7  -1.080  -3.366   2.945
   46    HA   ARG   7           HA       ARG   7  -2.069  -4.745   5.325
   47    HB2  ARG   7           HB2      ARG   7  -3.567  -2.603   3.847
   48    HB3  ARG   7           HB1      ARG   7  -4.445  -3.926   4.597
   49    HG2  ARG   7           HG2      ARG   7  -4.521  -2.388   6.276
   50    HG3  ARG   7           HG1      ARG   7  -3.035  -3.231   6.709
   51    HD2  ARG   7           HD2      ARG   7  -1.732  -1.495   5.562
   52    HD3  ARG   7           HD1      ARG   7  -3.223  -0.652   5.154
   53    HE   ARG   7           HE       ARG   7  -3.240   0.233   7.248
   54   HH11  ARG   7          HH11      ARG   7  -1.079  -2.535   7.283
   55   HH12  ARG   7          HH12      ARG   7  -0.627  -2.309   8.943
   56   HH21  ARG   7          HH21      ARG   7  -2.625   0.527   9.432
   57   HH22  ARG   7          HH22      ARG   7  -1.502  -0.571  10.161
   58    H    LYS   8           H        LYS   8  -3.467  -6.476   4.887
   59    HA   LYS   8           HA       LYS   8  -2.936  -7.849   2.466
   60    HB2  LYS   8           HB2      LYS   8  -3.331  -9.018   4.580
   61    HB3  LYS   8           HB1      LYS   8  -4.986  -8.426   4.613
   62    HG2  LYS   8           HG2      LYS   8  -5.123  -9.623   2.282
   63    HG3  LYS   8           HG1      LYS   8  -3.755 -10.539   2.915
   64    HD2  LYS   8           HD2      LYS   8  -5.482 -11.848   3.651
   65    HD3  LYS   8           HD1      LYS   8  -5.319 -10.760   5.029
   66    HE2  LYS   8           HE2      LYS   8  -7.286 -10.443   2.758
   67    HE3  LYS   8           HE1      LYS   8  -7.666 -11.073   4.358
   68    HZ1  LYS   8           HZ1      LYS   8  -6.846  -8.863   5.223
   69    HZ2  LYS   8           HZ2      LYS   8  -8.308  -8.831   4.374
   70    HZ3  LYS   8           HZ3      LYS   8  -6.882  -8.309   3.621
   71    H    GLY   9           H        GLY   9  -3.762  -7.023   0.623
   72    HA2  GLY   9           HA2      GLY   9  -6.334  -7.380  -0.198
   73    HA3  GLY   9           HA1      GLY   9  -6.355  -5.782   0.531
   74    H    HIS  10           H        HIS  10  -6.062  -4.180  -0.824
   75    HA   HIS  10           HA       HIS  10  -3.991  -4.110  -2.757
   76    HB2  HIS  10           HB2      HIS  10  -5.394  -3.912  -4.792
   77    HB3  HIS  10           HB1      HIS  10  -5.478  -5.516  -4.080
   78    HD1  HIS  10           HD1      HIS  10  -7.737  -5.774  -2.426
   79    HD2  HIS  10           HD2      HIS  10  -7.815  -2.946  -5.468
   80    HE1  HIS  10           HE1      HIS  10 -10.168  -5.262  -2.804
   81    H    CYS  11           H        CYS  11  -4.195  -2.475  -0.839
   82    HA   CYS  11           HA       CYS  11  -4.142  -0.273  -0.310
   83    HB2  CYS  11           HB2      CYS  11  -5.338   0.255  -3.038
   84    HB3  CYS  11           HB1      CYS  11  -4.614   1.451  -1.968
   85    H    LYS  12           H        LYS  12  -5.522   1.213   0.692
   86    HA   LYS  12           HA       LYS  12  -8.262   0.236   0.957
   87    HB2  LYS  12           HB2      LYS  12  -6.696   2.254   2.579
   88    HB3  LYS  12           HB1      LYS  12  -8.352   1.773   2.918
   89    HG2  LYS  12           HG2      LYS  12  -5.989  -0.094   2.916
   90    HG3  LYS  12           HG1      LYS  12  -6.690   0.646   4.355
   91    HD2  LYS  12           HD2      LYS  12  -8.139  -1.187   2.440
   92    HD3  LYS  12           HD1      LYS  12  -7.484  -1.660   4.008
   93    HE2  LYS  12           HE2      LYS  12  -9.609   0.439   3.571
   94    HE3  LYS  12           HE1      LYS  12  -9.915  -1.223   4.070
   95    HZ1  LYS  12           HZ1      LYS  12  -9.773   0.611   5.848
   96    HZ2  LYS  12           HZ2      LYS  12  -8.099   0.487   5.642
   97    HZ3  LYS  12           HZ3      LYS  12  -8.991  -0.861   6.139
   98    H    ARG  13           H        ARG  13  -9.721   1.072  -0.338
   99    HA   ARG  13           HA       ARG  13 -11.074   2.535  -1.407
  100    HB2  ARG  13           HB2      ARG  13  -9.604   4.419   0.377
  101    HB3  ARG  13           HB1      ARG  13 -10.576   5.079  -0.931
  102    HG2  ARG  13           HG2      ARG  13 -11.668   3.130   1.078
  103    HG3  ARG  13           HG1      ARG  13 -11.702   4.879   1.316
  104    HD2  ARG  13           HD2      ARG  13 -12.966   5.130  -0.772
  105    HD3  ARG  13           HD1      ARG  13 -12.939   3.381  -0.995
  106    HE   ARG  13           HE       ARG  13 -14.639   4.891   0.771
  107   HH11  ARG  13          HH11      ARG  13 -13.289   1.742   0.062
  108   HH12  ARG  13          HH12      ARG  13 -14.456   0.880   1.007
  109   HH21  ARG  13          HH21      ARG  13 -16.185   3.763   2.029
  110   HH22  ARG  13          HH22      ARG  13 -16.109   2.036   2.133
  111    H    GLY  14           H        GLY  14  -7.746   3.847  -1.405
  112    HA2  GLY  14           HA2      GLY  14  -7.433   3.424  -4.187
  113    HA3  GLY  14           HA1      GLY  14  -7.878   5.098  -3.888
  114    H    GLY  15           H        GLY  15  -5.365   3.689  -4.824
  115    HA2  GLY  15           HA2      GLY  15  -3.501   5.483  -3.798
  116    HA3  GLY  15           HA1      GLY  15  -3.368   4.004  -2.855
  117    H    ARG  16           H        ARG  16  -1.301   3.570  -3.626
  118    HA   ARG  16           HA       ARG  16  -1.250   2.297  -6.245
  119    HB2  ARG  16           HB2      ARG  16   0.584   4.542  -5.404
  120    HB3  ARG  16           HB1      ARG  16   1.035   3.387  -6.648
  121    HG2  ARG  16           HG2      ARG  16  -1.396   5.161  -6.754
  122    HG3  ARG  16           HG1      ARG  16   0.144   5.499  -7.549
  123    HD2  ARG  16           HD2      ARG  16  -0.085   3.365  -8.788
  124    HD3  ARG  16           HD1      ARG  16  -1.673   3.146  -8.057
  125    HE   ARG  16           HE       ARG  16  -1.014   4.812 -10.273
  126   HH11  ARG  16          HH11      ARG  16  -3.220   4.489  -7.564
  127   HH12  ARG  16          HH12      ARG  16  -4.446   5.481  -8.290
  128   HH21  ARG  16          HH21      ARG  16  -2.633   6.110 -11.226
  129   HH22  ARG  16          HH22      ARG  16  -4.113   6.399 -10.375
  130    H    VAL  17           H        VAL  17  -0.127   0.420  -6.156
  131    HA   VAL  17           HA       VAL  17   1.018  -0.374  -3.640
  132    HB   VAL  17           HB       VAL  17   1.084  -1.905  -6.243
  133   HG11  VAL  17          HG11      VAL  17   1.723  -3.746  -5.060
  134   HG12  VAL  17          HG21      VAL  17   0.951  -3.195  -3.572
  135   HG13  VAL  17          3HG1      VAL  17   2.486  -2.491  -4.082
  136   HG21  VAL  17          HG12      VAL  17  -1.213  -1.090  -5.077
  137   HG22  VAL  17          HG22      VAL  17  -0.938  -2.608  -4.221
  138   HG23  VAL  17          HG23      VAL  17  -1.047  -2.595  -5.981
  139    H    ARG  18           H        ARG  18   3.089  -0.244  -3.065
  140    HA   ARG  18           HA       ARG  18   5.068   0.294  -5.180
  141    HB2  ARG  18           HB2      ARG  18   4.732   1.467  -2.458
  142    HB3  ARG  18           HB1      ARG  18   6.365   1.277  -3.085
  143    HG2  ARG  18           HG2      ARG  18   5.592   3.488  -3.586
  144    HG3  ARG  18           HG1      ARG  18   5.701   2.571  -5.088
  145    HD2  ARG  18           HD2      ARG  18   3.221   2.069  -4.755
  146    HD3  ARG  18           HD1      ARG  18   3.248   3.345  -3.541
  147    HE   ARG  18           HE       ARG  18   3.235   4.886  -5.217
  148   HH11  ARG  18          HH11      ARG  18   4.259   1.799  -6.558
  149   HH12  ARG  18          HH12      ARG  18   4.365   2.397  -8.178
  150   HH21  ARG  18          HH21      ARG  18   3.315   5.658  -7.347
  151   HH22  ARG  18          HH22      ARG  18   3.834   4.602  -8.633
  152    H    GLY  19           H        GLY  19   4.077  -1.860  -2.786
  153    HA2  GLY  19           HA2      GLY  19   6.090  -3.721  -3.377
  154    HA3  GLY  19           HA1      GLY  19   6.538  -2.892  -1.895
  155    H    THR  20           H        THR  20   6.342  -4.744  -0.663
  156    HA   THR  20           HA       THR  20   3.585  -5.437   0.016
  157    HB   THR  20           HB       THR  20   4.439  -7.864   0.293
  158    HG1  THR  20           HG1      THR  20   6.052  -7.970  -1.725
  159   HG21  THR  20          HG12      THR  20   4.178  -8.158  -2.332
  160   HG22  THR  20          HG22      THR  20   3.649  -6.479  -2.218
  161   HG23  THR  20          HG23      THR  20   2.808  -7.732  -1.305
  162    H    CYS  21           H        CYS  21   3.341  -6.270   2.150
  163    HA   CYS  21           HA       CYS  21   5.389  -5.293   3.974
  164    HB2  CYS  21           HB2      CYS  21   2.735  -5.077   4.140
  165    HB3  CYS  21           HB1      CYS  21   2.909  -6.622   4.961
  166    H    GLY  22           H        GLY  22   6.625  -7.192   2.833
  167    HA2  GLY  22           HA2      GLY  22   7.880  -9.031   3.541
  168    HA3  GLY  22           HA1      GLY  22   6.683  -9.382   4.758
  169    H    ILE  23           H        ILE  23   4.485  -9.774   3.611
  170    HA   ILE  23           HA       ILE  23   4.414 -11.094   1.125
  171    HB   ILE  23           HB       ILE  23   5.778 -12.777   2.326
  172   HG12  ILE  23          HG21      ILE  23   4.346 -14.756   1.805
  173   HG13  ILE  23          HG11      ILE  23   2.984 -13.662   1.580
  174   HG21  ILE  23          HG12      ILE  23   4.823 -14.115   4.114
  175   HG22  ILE  23          HG22      ILE  23   3.359 -13.133   4.086
  176   HG23  ILE  23          HG23      ILE  23   4.893 -12.415   4.576
  177   HD11  ILE  23          HD11      ILE  23   4.230 -12.552  -0.238
  178   HD12  ILE  23          HD12      ILE  23   3.903 -14.255  -0.553
  179   HD13  ILE  23          HD13      ILE  23   5.513 -13.746  -0.046
  180    H    ARG  24           H        ARG  24   2.347 -11.668   0.522
  181    HA   ARG  24           HA       ARG  24   0.097 -11.791   0.511
  182    HB2  ARG  24           HB2      ARG  24   0.307 -13.292   2.422
  183    HB3  ARG  24           HB1      ARG  24   0.321 -11.915   3.511
  184    HG2  ARG  24           HG2      ARG  24  -1.956 -11.376   2.926
  185    HG3  ARG  24           HG1      ARG  24  -1.980 -12.664   1.720
  186    HD2  ARG  24           HD2      ARG  24  -1.578 -13.054   4.685
  187    HD3  ARG  24           HD1      ARG  24  -3.094 -13.314   3.822
  188    HE   ARG  24           HE       ARG  24  -1.157 -14.856   2.561
  189   HH11  ARG  24          HH11      ARG  24  -2.682 -14.689   5.703
  190   HH12  ARG  24          HH12      ARG  24  -2.534 -16.385   6.014
  191   HH21  ARG  24          HH21      ARG  24  -0.958 -17.104   2.959
  192   HH22  ARG  24          HH22      ARG  24  -1.550 -17.764   4.447
  193    H    PHE  25           H        PHE  25   1.365  -9.515   2.817
  194    HA   PHE  25           HA       PHE  25  -0.919  -7.750   2.467
  195    HB2  PHE  25           HB2      PHE  25   1.546  -7.619   4.201
  196    HB3  PHE  25           HB1      PHE  25   0.431  -6.264   4.057
  197    HD1  PHE  25           HD1      PHE  25  -0.109  -9.945   4.385
  198    HD2  PHE  25           HD2      PHE  25  -0.763  -6.064   5.997
  199    HE1  PHE  25           HE1      PHE  25  -1.547 -10.916   6.127
  200    HE2  PHE  25           HE2      PHE  25  -2.201  -7.027   7.745
  201    HZ   PHE  25           HZ       PHE  25  -2.597  -9.455   7.804
  202    H    LEU  26           H        LEU  26  -0.970  -6.036   1.144
  203    HA   LEU  26           HA       LEU  26   1.363  -5.551  -0.528
  204    HB2  LEU  26           HB2      LEU  26  -1.528  -4.773  -0.725
  205    HB3  LEU  26           HB1      LEU  26  -0.318  -3.984  -1.715
  206    HG   LEU  26           HG       LEU  26   0.310  -6.265  -2.594
  207   HD11  LEU  26          HD11      LEU  26  -0.631  -7.629  -0.821
  208   HD12  LEU  26          HD12      LEU  26  -1.353  -8.047  -2.375
  209   HD13  LEU  26          HD13      LEU  26  -2.251  -7.061  -1.221
  210   HD21  LEU  26          HD21      LEU  26  -1.036  -4.713  -3.884
  211   HD22  LEU  26          HD22      LEU  26  -2.498  -5.280  -3.077
  212   HD23  LEU  26          HD23      LEU  26  -1.595  -6.367  -4.132
  213    H    TYR  27           H        TYR  27   2.513  -3.716  -0.581
  214    HA   TYR  27           HA       TYR  27   2.031  -1.777   1.562
  215    HB2  TYR  27           HB2      TYR  27   4.278  -2.897   1.269
  216    HB3  TYR  27           HB1      TYR  27   4.437  -2.035  -0.255
  217    HD1  TYR  27           HD2      TYR  27   3.233  -0.902   3.097
  218    HD2  TYR  27           HD1      TYR  27   6.118  -0.483   0.000
  219    HE1  TYR  27           HE2      TYR  27   4.242   0.989   4.301
  220    HE2  TYR  27           HE1      TYR  27   7.137   1.409   1.196
  221    HH   TYR  27           HH       TYR  27   7.146   2.092   3.891
  222    H    CYS  28           H        CYS  28   0.566  -0.337   0.860
  223    HA   CYS  28           HA       CYS  28   0.816   0.776  -1.839
  224    HB2  CYS  28           HB2      CYS  28  -1.415   0.933   0.191
  225    HB3  CYS  28           HB1      CYS  28  -1.441   1.744  -1.369
  226    H    CYS  29           H        CYS  29   1.069   2.924  -2.248
  227    HA   CYS  29           HA       CYS  29   1.594   4.668   0.068
  228    HB2  CYS  29           HB2      CYS  29   3.065   4.490  -2.561
  229    HB3  CYS  29           HB1      CYS  29   3.205   5.876  -1.487
  230    HA   PRO  30           HA       PRO  30  -1.693   6.901  -2.019
  231    HB2  PRO  30           HB2      PRO  30  -1.712   8.670   0.276
  232    HB3  PRO  30           HB1      PRO  30  -2.922   7.483  -0.210
  233    HG2  PRO  30           HG2      PRO  30  -1.373   7.221   2.018
  234    HG3  PRO  30           HG1      PRO  30  -2.037   5.844   1.120
  235    HD2  PRO  30           HD2      PRO  30   0.723   7.009   1.038
  236    HD3  PRO  30           HD1      PRO  30   0.215   5.305   1.035
  237    H    ARG  31           H        ARG  31   1.267   8.162  -0.713
  238    HA   ARG  31           HA       ARG  31   1.050  10.838  -1.511
  239    HB2  ARG  31           HB2      ARG  31   3.546  10.870  -1.404
  240    HB3  ARG  31           HB1      ARG  31   2.772  10.234   0.039
  241    HG2  ARG  31           HG2      ARG  31   3.567   8.123  -0.292
  242    HG3  ARG  31           HG1      ARG  31   3.626   8.300  -2.047
  243    HD2  ARG  31           HD2      ARG  31   5.872   8.190  -1.130
  244    HD3  ARG  31           HD1      ARG  31   5.567   9.778  -1.829
  245    HE   ARG  31           HE       ARG  31   5.845  10.707   0.238
  246   HH11  ARG  31          HH11      ARG  31   5.437   7.250   0.619
  247   HH12  ARG  31          HH12      ARG  31   5.770   7.268   2.317
  248   HH21  ARG  31          HH21      ARG  31   6.285  10.734   2.486
  249   HH22  ARG  31          HH22      ARG  31   6.247   9.254   3.384
  250    H    ARG  32           H        ARG  32   2.509   8.070  -3.207
  251    HA   ARG  32           HA       ARG  32   1.861   9.185  -5.774
  252    HB2  ARG  32           HB2      ARG  32   4.704   9.067  -4.797
  253    HB3  ARG  32           HB1      ARG  32   4.352   8.806  -6.495
  254    HG2  ARG  32           HG2      ARG  32   3.666  11.284  -4.925
  255    HG3  ARG  32           HG1      ARG  32   5.025  11.106  -6.034
  256    HD2  ARG  32           HD2      ARG  32   3.385  12.197  -7.298
  257    HD3  ARG  32           HD1      ARG  32   3.270  10.511  -7.799
  258    HE   ARG  32           HE       ARG  32   1.488  10.962  -5.672
  259   HH11  ARG  32          HH11      ARG  32   1.896  11.786  -9.050
  260   HH12  ARG  32          HH12      ARG  32   0.202  11.980  -9.344
  261   HH21  ARG  32          HH21      ARG  32  -0.741  11.207  -6.044
  262   HH22  ARG  32          HH22      ARG  32  -1.310  11.650  -7.618
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1   0.229   9.836   3.038
    2    H2   GLY   1           2HT      GLY   1  -0.694  11.228   3.320
    3    H3   GLY   1           3HT      GLY   1  -0.340  10.170   4.595
    4    HA2  GLY   1           HA1      GLY   1   1.184  12.340   3.582
    5    HA3  GLY   1           HA2      GLY   1   1.400  11.434   5.075
    6    H    LEU   2           H        LEU   2   3.687  11.532   4.754
    7    HA   LEU   2           HA       LEU   2   4.941  10.488   2.442
    8    HB2  LEU   2           HB2      LEU   2   7.007  10.584   3.679
    9    HB3  LEU   2           HB1      LEU   2   6.077  12.036   3.980
   10    HG   LEU   2           HG       LEU   2   6.052   9.733   5.920
   11   HD11  LEU   2          HD11      LEU   2   8.013  10.324   6.857
   12   HD12  LEU   2          HD12      LEU   2   7.790  12.036   6.501
   13   HD13  LEU   2          HD13      LEU   2   8.369  10.942   5.245
   14   HD21  LEU   2          HD21      LEU   2   5.202  11.263   7.458
   15   HD22  LEU   2          HD22      LEU   2   4.377  11.695   5.960
   16   HD23  LEU   2          HD23      LEU   2   5.745  12.655   6.520
   17    H    LEU   3           H        LEU   3   4.013   9.074   5.524
   18    HA   LEU   3           HA       LEU   3   5.272   6.559   5.007
   19    HB2  LEU   3           HB2      LEU   3   4.883   7.399   7.289
   20    HB3  LEU   3           HB1      LEU   3   3.153   7.301   7.027
   21    HG   LEU   3           HG       LEU   3   3.375   4.839   6.749
   22   HD11  LEU   3          HD11      LEU   3   5.760   4.244   7.987
   23   HD12  LEU   3          HD12      LEU   3   6.197   5.534   6.864
   24   HD13  LEU   3          HD13      LEU   3   5.412   4.072   6.266
   25   HD21  LEU   3          HD21      LEU   3   4.474   5.893   9.351
   26   HD22  LEU   3          HD22      LEU   3   3.644   4.357   9.100
   27   HD23  LEU   3          HD23      LEU   3   2.768   5.875   8.904
   28    H    CYS   4           H        CYS   4   4.509   4.901   3.896
   29    HA   CYS   4           HA       CYS   4   1.879   5.078   2.692
   30    HB2  CYS   4           HB2      CYS   4   3.903   2.871   2.334
   31    HB3  CYS   4           HB1      CYS   4   2.595   3.323   1.249
   32    H    TYR   5           H        TYR   5   0.392   3.221   2.761
   33    HA   TYR   5           HA       TYR   5   0.412   2.052   5.437
   34    HB2  TYR   5           HB2      TYR   5  -2.010   1.607   5.035
   35    HB3  TYR   5           HB1      TYR   5  -1.564   3.305   5.043
   36    HD1  TYR   5           HD2      TYR   5  -2.126   0.486   2.658
   37    HD2  TYR   5           HD1      TYR   5  -2.359   4.675   3.345
   38    HE1  TYR   5           HE2      TYR   5  -3.274   0.765   0.510
   39    HE2  TYR   5           HE1      TYR   5  -3.517   4.966   1.193
   40    HH   TYR   5           HH       TYR   5  -4.731   3.769  -0.433
   41    H    CYS   6           H        CYS   6   0.387   0.017   5.906
   42    HA   CYS   6           HA       CYS   6   0.942  -1.895   3.776
   43    HB2  CYS   6           HB2      CYS   6   2.485  -1.879   5.645
   44    HB3  CYS   6           HB1      CYS   6   1.160  -2.052   6.787
   45    H    ARG   7           H        ARG   7  -0.713  -3.156   3.041
   46    HA   ARG   7           HA       ARG   7  -2.907  -3.752   4.917
   47    HB2  ARG   7           HB2      ARG   7  -3.256  -2.933   2.027
   48    HB3  ARG   7           HB1      ARG   7  -4.544  -3.477   3.090
   49    HG2  ARG   7           HG2      ARG   7  -2.934  -0.951   3.304
   50    HG3  ARG   7           HG1      ARG   7  -4.656  -1.110   2.962
   51    HD2  ARG   7           HD2      ARG   7  -3.249  -1.782   5.541
   52    HD3  ARG   7           HD1      ARG   7  -4.328  -0.418   5.256
   53    HE   ARG   7           HE       ARG   7  -5.818  -2.644   4.657
   54   HH11  ARG   7          HH11      ARG   7  -4.022  -1.538   7.443
   55   HH12  ARG   7          HH12      ARG   7  -5.070  -2.300   8.595
   56   HH21  ARG   7          HH21      ARG   7  -7.212  -3.673   6.169
   57   HH22  ARG   7          HH22      ARG   7  -6.891  -3.524   7.866
   58    H    LYS   8           H        LYS   8  -3.834  -5.727   4.782
   59    HA   LYS   8           HA       LYS   8  -2.399  -7.770   3.318
   60    HB2  LYS   8           HB2      LYS   8  -3.148  -8.038   5.682
   61    HB3  LYS   8           HB1      LYS   8  -4.809  -8.047   5.127
   62    HG2  LYS   8           HG2      LYS   8  -4.109 -10.035   3.668
   63    HG3  LYS   8           HG1      LYS   8  -2.670 -10.102   4.686
   64    HD2  LYS   8           HD2      LYS   8  -5.492 -10.172   5.747
   65    HD3  LYS   8           HD1      LYS   8  -4.535 -11.613   5.403
   66    HE2  LYS   8           HE2      LYS   8  -3.677  -9.432   7.297
   67    HE3  LYS   8           HE1      LYS   8  -4.530 -10.891   7.800
   68    HZ1  LYS   8           HZ1      LYS   8  -2.684 -12.116   7.622
   69    HZ2  LYS   8           HZ2      LYS   8  -1.854 -10.643   7.660
   70    HZ3  LYS   8           HZ3      LYS   8  -2.195 -11.382   6.178
   71    H    GLY   9           H        GLY   9  -3.514  -6.109   1.558
   72    HA2  GLY   9           HA2      GLY   9  -5.104  -7.801  -0.054
   73    HA3  GLY   9           HA1      GLY   9  -6.121  -6.579   0.694
   74    H    HIS  10           H        HIS  10  -6.609  -5.566  -1.255
   75    HA   HIS  10           HA       HIS  10  -4.391  -4.495  -2.811
   76    HB2  HIS  10           HB2      HIS  10  -7.328  -4.785  -3.337
   77    HB3  HIS  10           HB1      HIS  10  -6.354  -3.680  -4.302
   78    HD1  HIS  10           HD1      HIS  10  -4.003  -5.034  -5.195
   79    HD2  HIS  10           HD2      HIS  10  -7.495  -7.193  -4.534
   80    HE1  HIS  10           HE1      HIS  10  -3.743  -7.155  -6.519
   81    H    CYS  11           H        CYS  11  -3.926  -3.133  -0.851
   82    HA   CYS  11           HA       CYS  11  -3.767  -1.068   0.100
   83    HB2  CYS  11           HB2      CYS  11  -5.256  -0.033  -2.307
   84    HB3  CYS  11           HB1      CYS  11  -4.076   0.817  -1.316
   85    H    LYS  12           H        LYS  12  -5.642   1.131  -0.277
   86    HA   LYS  12           HA       LYS  12  -8.159   0.159   0.818
   87    HB2  LYS  12           HB2      LYS  12  -6.112   1.640   2.394
   88    HB3  LYS  12           HB1      LYS  12  -7.792   2.099   2.622
   89    HG2  LYS  12           HG2      LYS  12  -6.695  -0.685   2.967
   90    HG3  LYS  12           HG1      LYS  12  -7.016   0.456   4.273
   91    HD2  LYS  12           HD2      LYS  12  -9.063  -0.656   2.352
   92    HD3  LYS  12           HD1      LYS  12  -8.839  -1.161   4.026
   93    HE2  LYS  12           HE2      LYS  12  -9.595   1.622   3.134
   94    HE3  LYS  12           HE1      LYS  12 -10.725   0.411   3.734
   95    HZ1  LYS  12           HZ1      LYS  12  -9.811   2.174   5.346
   96    HZ2  LYS  12           HZ2      LYS  12  -8.412   1.225   5.372
   97    HZ3  LYS  12           HZ3      LYS  12  -9.889   0.567   5.867
   98    H    ARG  13           H        ARG  13  -9.572   1.114  -0.470
   99    HA   ARG  13           HA       ARG  13 -10.686   2.655  -1.713
  100    HB2  ARG  13           HB2      ARG  13  -9.699   4.210   0.635
  101    HB3  ARG  13           HB1      ARG  13 -10.471   5.079  -0.683
  102    HG2  ARG  13           HG2      ARG  13 -11.754   2.740   0.704
  103    HG3  ARG  13           HG1      ARG  13 -11.964   4.412   1.230
  104    HD2  ARG  13           HD2      ARG  13 -12.792   4.958  -1.055
  105    HD3  ARG  13           HD1      ARG  13 -12.712   3.243  -1.448
  106    HE   ARG  13           HE       ARG  13 -14.713   4.582   0.120
  107   HH11  ARG  13          HH11      ARG  13 -13.222   1.491  -0.585
  108   HH12  ARG  13          HH12      ARG  13 -14.534   0.565   0.061
  109   HH21  ARG  13          HH21      ARG  13 -16.447   3.360   0.977
  110   HH22  ARG  13          HH22      ARG  13 -16.370   1.630   0.953
  111    H    GLY  14           H        GLY  14  -8.314   2.002  -2.874
  112    HA2  GLY  14           HA2      GLY  14  -7.169   2.760  -4.741
  113    HA3  GLY  14           HA1      GLY  14  -7.807   4.370  -4.442
  114    H    GLY  15           H        GLY  15  -5.052   2.985  -4.877
  115    HA2  GLY  15           HA2      GLY  15  -3.514   4.930  -3.544
  116    HA3  GLY  15           HA1      GLY  15  -3.435   3.415  -2.651
  117    H    ARG  16           H        ARG  16  -1.263   4.746  -4.035
  118    HA   ARG  16           HA       ARG  16  -0.824   3.101  -6.386
  119    HB2  ARG  16           HB2      ARG  16  -0.109   5.392  -6.581
  120    HB3  ARG  16           HB1      ARG  16   0.830   5.279  -5.098
  121    HG2  ARG  16           HG2      ARG  16   2.290   5.214  -7.023
  122    HG3  ARG  16           HG1      ARG  16   2.330   3.666  -6.178
  123    HD2  ARG  16           HD2      ARG  16   0.528   2.936  -7.861
  124    HD3  ARG  16           HD1      ARG  16   1.020   4.352  -8.791
  125    HE   ARG  16           HE       ARG  16   3.285   2.812  -8.083
  126   HH11  ARG  16          HH11      ARG  16   0.543   2.796 -10.259
  127   HH12  ARG  16          HH12      ARG  16   1.318   1.794 -11.439
  128   HH21  ARG  16          HH21      ARG  16   4.316   1.485  -9.636
  129   HH22  ARG  16          HH22      ARG  16   3.475   1.046 -11.085
  130    H    VAL  17           H        VAL  17  -0.012   1.162  -6.210
  131    HA   VAL  17           HA       VAL  17   1.005   0.069  -3.843
  132    HB   VAL  17           HB       VAL  17   1.813  -1.821  -5.292
  133   HG11  VAL  17          HG11      VAL  17  -0.229  -2.500  -4.714
  134   HG12  VAL  17          HG21      VAL  17  -0.758  -1.941  -6.300
  135   HG13  VAL  17          3HG1      VAL  17  -0.902  -0.880  -4.899
  136   HG21  VAL  17          HG12      VAL  17   1.589   0.125  -7.328
  137   HG22  VAL  17          HG22      VAL  17   0.382  -1.118  -7.661
  138   HG23  VAL  17          HG23      VAL  17   2.080  -1.562  -7.484
  139    H    ARG  18           H        ARG  18   2.934   0.043  -2.966
  140    HA   ARG  18           HA       ARG  18   5.133   1.363  -4.387
  141    HB2  ARG  18           HB2      ARG  18   4.220   2.049  -2.034
  142    HB3  ARG  18           HB1      ARG  18   5.148   0.669  -1.466
  143    HG2  ARG  18           HG2      ARG  18   6.399   2.733  -1.238
  144    HG3  ARG  18           HG1      ARG  18   7.181   1.646  -2.392
  145    HD2  ARG  18           HD2      ARG  18   6.156   2.903  -4.236
  146    HD3  ARG  18           HD1      ARG  18   5.405   3.989  -3.069
  147    HE   ARG  18           HE       ARG  18   8.074   4.101  -4.036
  148   HH11  ARG  18          HH11      ARG  18   6.131   4.740  -1.182
  149   HH12  ARG  18          HH12      ARG  18   7.259   5.872  -0.513
  150   HH21  ARG  18          HH21      ARG  18   9.562   5.597  -3.146
  151   HH22  ARG  18          HH22      ARG  18   9.212   6.358  -1.630
  152    H    GLY  19           H        GLY  19   4.266  -1.516  -2.563
  153    HA2  GLY  19           HA2      GLY  19   5.848  -3.270  -4.033
  154    HA3  GLY  19           HA1      GLY  19   6.796  -2.773  -2.636
  155    H    THR  20           H        THR  20   6.699  -5.031  -2.004
  156    HA   THR  20           HA       THR  20   4.096  -5.958  -1.073
  157    HB   THR  20           HB       THR  20   5.552  -8.024  -0.441
  158    HG1  THR  20           HG1      THR  20   7.468  -8.174  -1.605
  159   HG21  THR  20          HG12      THR  20   5.457  -8.793  -2.857
  160   HG22  THR  20          HG22      THR  20   4.868  -7.178  -3.247
  161   HG23  THR  20          HG23      THR  20   3.942  -8.217  -2.165
  162    H    CYS  21           H        CYS  21   3.593  -6.278   1.052
  163    HA   CYS  21           HA       CYS  21   5.485  -5.135   2.989
  164    HB2  CYS  21           HB2      CYS  21   3.225  -4.074   2.760
  165    HB3  CYS  21           HB1      CYS  21   2.521  -5.576   3.348
  166    H    GLY  22           H        GLY  22   5.882  -7.745   2.061
  167    HA2  GLY  22           HA2      GLY  22   6.733  -9.543   3.406
  168    HA3  GLY  22           HA1      GLY  22   5.432  -9.246   4.549
  169    H    ILE  23           H        ILE  23   4.618 -11.314   4.559
  170    HA   ILE  23           HA       ILE  23   3.939 -12.628   2.073
  171    HB   ILE  23           HB       ILE  23   3.494 -13.488   4.939
  172   HG12  ILE  23          HG21      ILE  23   5.203 -15.283   4.151
  173   HG13  ILE  23          HG11      ILE  23   5.577 -14.139   2.869
  174   HG21  ILE  23          HG12      ILE  23   1.986 -14.909   4.130
  175   HG22  ILE  23          HG22      ILE  23   3.328 -15.736   3.338
  176   HG23  ILE  23          HG23      ILE  23   2.402 -14.518   2.461
  177   HD11  ILE  23          HD11      ILE  23   7.164 -13.800   4.577
  178   HD12  ILE  23          HD12      ILE  23   5.920 -13.775   5.828
  179   HD13  ILE  23          HD13      ILE  23   6.036 -12.447   4.673
  180    H    ARG  24           H        ARG  24   2.132 -12.271   1.038
  181    HA   ARG  24           HA       ARG  24   0.018 -11.681   0.497
  182    HB2  ARG  24           HB2      ARG  24  -0.416 -13.731   1.892
  183    HB3  ARG  24           HB1      ARG  24  -0.728 -12.666   3.255
  184    HG2  ARG  24           HG2      ARG  24  -2.592 -11.654   2.066
  185    HG3  ARG  24           HG1      ARG  24  -2.261 -12.669   0.661
  186    HD2  ARG  24           HD2      ARG  24  -2.778 -14.657   1.919
  187    HD3  ARG  24           HD1      ARG  24  -2.961 -13.717   3.399
  188    HE   ARG  24           HE       ARG  24  -4.742 -12.676   1.535
  189   HH11  ARG  24          HH11      ARG  24  -4.236 -15.700   3.220
  190   HH12  ARG  24          HH12      ARG  24  -5.917 -16.116   3.254
  191   HH21  ARG  24          HH21      ARG  24  -6.970 -13.215   1.579
  192   HH22  ARG  24          HH22      ARG  24  -7.476 -14.697   2.318
  193    H    PHE  25           H        PHE  25   1.502  -9.594   1.256
  194    HA   PHE  25           HA       PHE  25  -0.487  -7.789   2.385
  195    HB2  PHE  25           HB2      PHE  25   2.199  -8.341   3.553
  196    HB3  PHE  25           HB1      PHE  25   1.661  -6.669   3.513
  197    HD1  PHE  25           HD2      PHE  25   1.043  -9.994   4.925
  198    HD2  PHE  25           HD1      PHE  25  -0.101  -5.900   4.922
  199    HE1  PHE  25           HE2      PHE  25  -0.206 -10.346   7.012
  200    HE2  PHE  25           HE1      PHE  25  -1.346  -6.240   7.015
  201    HZ   PHE  25           HZ       PHE  25  -1.405  -8.466   8.060
  202    H    LEU  26           H        LEU  26  -0.555  -5.911   1.304
  203    HA   LEU  26           HA       LEU  26   1.608  -5.399  -0.625
  204    HB2  LEU  26           HB2      LEU  26  -1.343  -4.857  -0.773
  205    HB3  LEU  26           HB1      LEU  26  -0.212  -3.964  -1.765
  206    HG   LEU  26           HG       LEU  26   0.577  -6.192  -2.679
  207   HD11  LEU  26          HD11      LEU  26  -1.157  -8.016  -2.521
  208   HD12  LEU  26          HD12      LEU  26  -1.845  -7.127  -1.162
  209   HD13  LEU  26          HD13      LEU  26  -0.195  -7.741  -1.069
  210   HD21  LEU  26          HD21      LEU  26  -1.141  -6.276  -4.313
  211   HD22  LEU  26          HD22      LEU  26  -0.997  -4.592  -3.806
  212   HD23  LEU  26          HD23      LEU  26  -2.323  -5.585  -3.201
  213    H    TYR  27           H        TYR  27   2.641  -3.521  -0.544
  214    HA   TYR  27           HA       TYR  27   1.864  -1.647   1.577
  215    HB2  TYR  27           HB2      TYR  27   4.206  -2.717   1.434
  216    HB3  TYR  27           HB1      TYR  27   4.470  -1.663   0.051
  217    HD1  TYR  27           HD2      TYR  27   2.892  -1.142   3.399
  218    HD2  TYR  27           HD1      TYR  27   5.889   0.059   0.629
  219    HE1  TYR  27           HE2      TYR  27   3.569   0.661   4.924
  220    HE2  TYR  27           HE1      TYR  27   6.576   1.867   2.149
  221    HH   TYR  27           HH       TYR  27   4.802   2.512   5.147
  222    H    CYS  28           H        CYS  28   0.514  -0.132   0.766
  223    HA   CYS  28           HA       CYS  28   1.191   1.023  -1.862
  224    HB2  CYS  28           HB2      CYS  28  -1.520   1.236  -0.579
  225    HB3  CYS  28           HB1      CYS  28  -1.076   1.462  -2.267
  226    H    CYS  29           H        CYS  29   1.284   3.211  -2.103
  227    HA   CYS  29           HA       CYS  29   1.388   4.738   0.394
  228    HB2  CYS  29           HB2      CYS  29   2.451   5.438  -2.351
  229    HB3  CYS  29           HB1      CYS  29   2.707   6.366  -0.875
  230    HA   PRO  30           HA       PRO  30  -2.453   6.662  -0.659
  231    HB2  PRO  30           HB2      PRO  30  -2.348   8.703   1.126
  232    HB3  PRO  30           HB1      PRO  30  -2.707   7.037   1.593
  233    HG2  PRO  30           HG2      PRO  30  -0.127   8.542   1.775
  234    HG3  PRO  30           HG1      PRO  30  -0.871   7.445   2.954
  235    HD2  PRO  30           HD2      PRO  30   1.140   6.678   1.303
  236    HD3  PRO  30           HD1      PRO  30  -0.121   5.562   1.863
  237    H    ARG  31           H        ARG  31  -3.267   8.559  -1.639
  238    HA   ARG  31           HA       ARG  31  -1.544   9.828  -3.456
  239    HB2  ARG  31           HB2      ARG  31  -3.435  11.215  -4.085
  240    HB3  ARG  31           HB1      ARG  31  -3.962   9.555  -3.867
  241    HG2  ARG  31           HG2      ARG  31  -4.234  11.536  -1.641
  242    HG3  ARG  31           HG1      ARG  31  -5.415  11.483  -2.950
  243    HD2  ARG  31           HD2      ARG  31  -4.649   9.133  -1.219
  244    HD3  ARG  31           HD1      ARG  31  -6.074  10.142  -0.974
  245    HE   ARG  31           HE       ARG  31  -6.146   9.218  -3.598
  246   HH11  ARG  31          HH11      ARG  31  -6.306   7.874  -0.367
  247   HH12  ARG  31          HH12      ARG  31  -7.306   6.539  -0.836
  248   HH21  ARG  31          HH21      ARG  31  -7.498   7.469  -4.204
  249   HH22  ARG  31          HH22      ARG  31  -7.995   6.313  -3.003
  250    H    ARG  32           H        ARG  32  -2.382  10.585  -0.213
  251    HA   ARG  32           HA       ARG  32  -0.427  12.615  -0.007
  252    HB2  ARG  32           HB2      ARG  32  -1.807  14.521   0.491
  253    HB3  ARG  32           HB1      ARG  32  -2.293  13.914  -1.086
  254    HG2  ARG  32           HG2      ARG  32  -4.269  12.959  -0.215
  255    HG3  ARG  32           HG1      ARG  32  -3.728  13.187   1.450
  256    HD2  ARG  32           HD2      ARG  32  -3.732  15.665   0.987
  257    HD3  ARG  32           HD1      ARG  32  -4.547  15.299  -0.533
  258    HE   ARG  32           HE       ARG  32  -6.476  15.115   0.644
  259   HH11  ARG  32          HH11      ARG  32  -3.827  14.469   2.849
  260   HH12  ARG  32          HH12      ARG  32  -4.856  14.259   4.227
  261   HH21  ARG  32          HH21      ARG  32  -7.838  14.842   2.465
  262   HH22  ARG  32          HH22      ARG  32  -7.142  14.473   4.009
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1   7.096   4.949   4.300
    2    H2   GLY   1           2HT      GLY   1   8.004   4.381   2.994
    3    H3   GLY   1           3HT      GLY   1   6.331   4.563   2.843
    4    HA2  GLY   1           HA1      GLY   1   8.422   6.507   2.552
    5    HA3  GLY   1           HA2      GLY   1   6.779   6.524   1.923
    6    H    LEU   2           H        LEU   2   6.121   8.522   2.501
    7    HA   LEU   2           HA       LEU   2   6.662   9.577   5.133
    8    HB2  LEU   2           HB2      LEU   2   4.936  10.622   2.890
    9    HB3  LEU   2           HB1      LEU   2   5.268  11.488   4.378
   10    HG   LEU   2           HG       LEU   2   7.325  10.693   2.314
   11   HD11  LEU   2          HD11      LEU   2   5.860  12.473   1.534
   12   HD12  LEU   2          HD12      LEU   2   7.475  13.094   1.877
   13   HD13  LEU   2          HD13      LEU   2   6.159  13.384   3.015
   14   HD21  LEU   2          HD21      LEU   2   8.182  12.697   4.167
   15   HD22  LEU   2          HD22      LEU   2   8.895  11.120   3.824
   16   HD23  LEU   2          HD23      LEU   2   7.637  11.271   5.052
   17    H    LEU   3           H        LEU   3   3.811   8.367   3.387
   18    HA   LEU   3           HA       LEU   3   2.591   7.732   5.947
   19    HB2  LEU   3           HB2      LEU   3   0.399   8.833   4.934
   20    HB3  LEU   3           HB1      LEU   3   1.518   9.723   5.944
   21    HG   LEU   3           HG       LEU   3   2.601  10.546   3.794
   22   HD11  LEU   3          HD11      LEU   3   0.136  10.207   2.291
   23   HD12  LEU   3          HD12      LEU   3   0.977   8.687   2.595
   24   HD13  LEU   3          HD13      LEU   3   1.814  10.011   1.782
   25   HD21  LEU   3          HD21      LEU   3  -0.228  11.466   3.927
   26   HD22  LEU   3          HD22      LEU   3   1.259  12.403   3.777
   27   HD23  LEU   3          HD23      LEU   3   0.821  11.686   5.328
   28    H    CYS   4           H        CYS   4   3.566   5.973   4.156
   29    HA   CYS   4           HA       CYS   4   1.507   4.989   2.398
   30    HB2  CYS   4           HB2      CYS   4   3.973   3.511   3.300
   31    HB3  CYS   4           HB1      CYS   4   3.032   3.245   1.839
   32    H    TYR   5           H        TYR   5   0.598   2.807   2.600
   33    HA   TYR   5           HA       TYR   5   0.494   1.850   5.363
   34    HB2  TYR   5           HB2      TYR   5  -2.000   1.371   4.940
   35    HB3  TYR   5           HB1      TYR   5  -1.518   3.014   5.336
   36    HD1  TYR   5           HD2      TYR   5  -1.940   0.912   2.252
   37    HD2  TYR   5           HD1      TYR   5  -2.533   4.676   4.142
   38    HE1  TYR   5           HE2      TYR   5  -3.086   1.735   0.242
   39    HE2  TYR   5           HE1      TYR   5  -3.685   5.507   2.139
   40    HH   TYR   5           HH       TYR   5  -4.888   3.616  -0.215
   41    H    CYS   6           H        CYS   6   0.260  -0.228   5.705
   42    HA   CYS   6           HA       CYS   6   0.654  -1.991   3.402
   43    HB2  CYS   6           HB2      CYS   6   2.430  -2.104   5.006
   44    HB3  CYS   6           HB1      CYS   6   1.290  -2.263   6.332
   45    H    ARG   7           H        ARG   7  -1.177  -2.978   2.775
   46    HA   ARG   7           HA       ARG   7  -2.982  -4.035   4.843
   47    HB2  ARG   7           HB2      ARG   7  -4.023  -2.679   2.352
   48    HB3  ARG   7           HB1      ARG   7  -4.968  -3.320   3.682
   49    HG2  ARG   7           HG2      ARG   7  -3.163  -0.909   3.761
   50    HG3  ARG   7           HG1      ARG   7  -4.926  -0.909   3.756
   51    HD2  ARG   7           HD2      ARG   7  -3.131  -1.996   5.917
   52    HD3  ARG   7           HD1      ARG   7  -4.080  -0.517   5.992
   53    HE   ARG   7           HE       ARG   7  -5.898  -2.517   5.510
   54   HH11  ARG   7          HH11      ARG   7  -3.486  -1.880   7.953
   55   HH12  ARG   7          HH12      ARG   7  -4.395  -2.605   9.239
   56   HH21  ARG   7          HH21      ARG   7  -7.120  -3.489   7.212
   57   HH22  ARG   7          HH22      ARG   7  -6.466  -3.525   8.814
   58    H    LYS   8           H        LYS   8  -3.862  -5.984   4.394
   59    HA   LYS   8           HA       LYS   8  -2.685  -7.600   2.419
   60    HB2  LYS   8           HB2      LYS   8  -3.334  -8.524   4.557
   61    HB3  LYS   8           HB1      LYS   8  -5.010  -8.075   4.290
   62    HG2  LYS   8           HG2      LYS   8  -5.235  -9.703   2.546
   63    HG3  LYS   8           HG1      LYS   8  -3.507 -10.057   2.593
   64    HD2  LYS   8           HD2      LYS   8  -5.388 -10.489   4.910
   65    HD3  LYS   8           HD1      LYS   8  -4.936 -11.744   3.755
   66    HE2  LYS   8           HE2      LYS   8  -2.599 -11.505   4.381
   67    HE3  LYS   8           HE1      LYS   8  -3.012 -10.198   5.490
   68    HZ1  LYS   8           HZ1      LYS   8  -4.041 -11.653   6.947
   69    HZ2  LYS   8           HZ2      LYS   8  -2.699 -12.544   6.426
   70    HZ3  LYS   8           HZ3      LYS   8  -4.231 -12.868   5.784
   71    H    GLY   9           H        GLY   9  -3.600  -8.609   0.695
   72    HA2  GLY   9           HA2      GLY   9  -5.218  -9.080  -0.940
   73    HA3  GLY   9           HA1      GLY   9  -6.235  -7.816  -0.264
   74    H    HIS  10           H        HIS  10  -5.183  -5.562  -0.469
   75    HA   HIS  10           HA       HIS  10  -3.361  -4.919  -2.451
   76    HB2  HIS  10           HB2      HIS  10  -4.813  -4.102  -4.290
   77    HB3  HIS  10           HB1      HIS  10  -4.867  -5.848  -4.111
   78    HD1  HIS  10           HD1      HIS  10  -7.108  -5.047  -5.653
   79    HD2  HIS  10           HD2      HIS  10  -7.242  -4.615  -1.522
   80    HE1  HIS  10           HE1      HIS  10  -9.548  -4.908  -5.070
   81    H    CYS  11           H        CYS  11  -3.731  -4.019  -0.011
   82    HA   CYS  11           HA       CYS  11  -3.910  -2.175   1.277
   83    HB2  CYS  11           HB2      CYS  11  -3.810  -0.791  -1.407
   84    HB3  CYS  11           HB1      CYS  11  -3.590   0.005   0.150
   85    H    LYS  12           H        LYS  12  -5.236   0.298   0.767
   86    HA   LYS  12           HA       LYS  12  -8.032  -0.338   0.300
   87    HB2  LYS  12           HB2      LYS  12  -6.953   0.449   3.007
   88    HB3  LYS  12           HB1      LYS  12  -8.628   0.727   2.555
   89    HG2  LYS  12           HG2      LYS  12  -7.311  -1.979   2.516
   90    HG3  LYS  12           HG1      LYS  12  -8.224  -1.343   3.887
   91    HD2  LYS  12           HD2      LYS  12 -10.234  -1.253   2.605
   92    HD3  LYS  12           HD1      LYS  12  -9.363  -1.585   1.107
   93    HE2  LYS  12           HE2      LYS  12  -9.554  -3.501   3.427
   94    HE3  LYS  12           HE1      LYS  12 -10.613  -3.541   2.017
   95    HZ1  LYS  12           HZ1      LYS  12  -9.092  -4.734   0.968
   96    HZ2  LYS  12           HZ2      LYS  12  -8.065  -4.673   2.308
   97    HZ3  LYS  12           HZ3      LYS  12  -7.965  -3.476   1.112
   98    H    ARG  13           H        ARG  13  -9.305   1.479  -0.070
   99    HA   ARG  13           HA       ARG  13  -9.795   3.560  -0.811
  100    HB2  ARG  13           HB2      ARG  13  -7.594   4.383   1.093
  101    HB3  ARG  13           HB1      ARG  13  -8.694   5.496   0.296
  102    HG2  ARG  13           HG2      ARG  13 -10.580   4.291   1.430
  103    HG3  ARG  13           HG1      ARG  13  -9.362   3.415   2.360
  104    HD2  ARG  13           HD2      ARG  13  -8.489   5.534   3.215
  105    HD3  ARG  13           HD1      ARG  13  -9.695   6.414   2.278
  106    HE   ARG  13           HE       ARG  13 -11.263   5.908   3.863
  107   HH11  ARG  13          HH11      ARG  13  -8.418   3.950   4.422
  108   HH12  ARG  13          HH12      ARG  13  -9.017   3.264   5.896
  109   HH21  ARG  13          HH21      ARG  13 -12.065   5.005   5.810
  110   HH22  ARG  13          HH22      ARG  13 -11.101   3.863   6.685
  111    H    GLY  14           H        GLY  14  -8.162   2.057  -2.445
  112    HA2  GLY  14           HA2      GLY  14  -6.970   2.350  -4.391
  113    HA3  GLY  14           HA1      GLY  14  -7.031   4.084  -4.098
  114    H    GLY  15           H        GLY  15  -5.114   4.990  -3.849
  115    HA2  GLY  15           HA2      GLY  15  -3.043   5.334  -2.814
  116    HA3  GLY  15           HA1      GLY  15  -3.106   3.683  -2.206
  117    H    ARG  16           H        ARG  16  -0.935   5.143  -3.583
  118    HA   ARG  16           HA       ARG  16  -0.752   3.760  -6.136
  119    HB2  ARG  16           HB2      ARG  16   1.203   5.618  -4.760
  120    HB3  ARG  16           HB1      ARG  16   1.394   4.966  -6.380
  121    HG2  ARG  16           HG2      ARG  16  -0.765   6.845  -5.444
  122    HG3  ARG  16           HG1      ARG  16   0.597   7.236  -6.495
  123    HD2  ARG  16           HD2      ARG  16  -1.649   5.321  -7.119
  124    HD3  ARG  16           HD1      ARG  16  -1.442   6.937  -7.792
  125    HE   ARG  16           HE       ARG  16   0.874   5.493  -8.347
  126   HH11  ARG  16          HH11      ARG  16  -2.520   5.415  -9.173
  127   HH12  ARG  16          HH12      ARG  16  -2.265   4.694 -10.728
  128   HH21  ARG  16          HH21      ARG  16   1.230   4.537 -10.401
  129   HH22  ARG  16          HH22      ARG  16  -0.122   4.193 -11.430
  130    H    VAL  17           H        VAL  17  -0.278   1.681  -5.994
  131    HA   VAL  17           HA       VAL  17   0.988   0.416  -3.848
  132    HB   VAL  17           HB       VAL  17   1.020  -0.641  -6.671
  133   HG11  VAL  17          HG11      VAL  17   2.264  -1.838  -4.850
  134   HG12  VAL  17          HG21      VAL  17   1.033  -2.794  -5.674
  135   HG13  VAL  17          3HG1      VAL  17   0.706  -2.128  -4.075
  136   HG21  VAL  17          HG12      VAL  17  -1.249  -1.223  -4.827
  137   HG22  VAL  17          HG22      VAL  17  -1.189  -1.265  -6.588
  138   HG23  VAL  17          HG23      VAL  17  -1.255   0.282  -5.745
  139    H    ARG  18           H        ARG  18   3.032   0.273  -3.269
  140    HA   ARG  18           HA       ARG  18   5.086   1.214  -5.135
  141    HB2  ARG  18           HB2      ARG  18   5.171   0.814  -2.138
  142    HB3  ARG  18           HB1      ARG  18   6.536   1.342  -3.113
  143    HG2  ARG  18           HG2      ARG  18   3.931   2.804  -2.753
  144    HG3  ARG  18           HG1      ARG  18   5.483   3.229  -2.032
  145    HD2  ARG  18           HD2      ARG  18   4.896   3.148  -4.990
  146    HD3  ARG  18           HD1      ARG  18   4.939   4.606  -4.003
  147    HE   ARG  18           HE       ARG  18   7.165   3.207  -5.100
  148   HH11  ARG  18          HH11      ARG  18   6.170   5.160  -2.366
  149   HH12  ARG  18          HH12      ARG  18   7.772   5.715  -2.013
  150   HH21  ARG  18          HH21      ARG  18   9.283   3.931  -4.636
  151   HH22  ARG  18          HH22      ARG  18   9.550   5.009  -3.307
  152    H    GLY  19           H        GLY  19   3.998  -1.528  -3.296
  153    HA2  GLY  19           HA2      GLY  19   5.137  -3.446  -4.887
  154    HA3  GLY  19           HA1      GLY  19   6.365  -3.088  -3.683
  155    H    THR  20           H        THR  20   6.185  -5.231  -2.943
  156    HA   THR  20           HA       THR  20   3.685  -6.039  -1.707
  157    HB   THR  20           HB       THR  20   5.086  -8.126  -1.160
  158    HG1  THR  20           HG1      THR  20   7.147  -7.325  -1.509
  159   HG21  THR  20          HG12      THR  20   4.450  -9.097  -3.151
  160   HG22  THR  20          HG22      THR  20   4.932  -7.698  -4.111
  161   HG23  THR  20          HG23      THR  20   3.448  -7.646  -3.159
  162    H    CYS  21           H        CYS  21   3.366  -6.294   0.442
  163    HA   CYS  21           HA       CYS  21   5.284  -5.005   2.227
  164    HB2  CYS  21           HB2      CYS  21   2.888  -4.317   2.233
  165    HB3  CYS  21           HB1      CYS  21   2.479  -5.930   2.806
  166    H    GLY  22           H        GLY  22   3.803  -6.668   4.347
  167    HA2  GLY  22           HA2      GLY  22   5.851  -8.634   4.659
  168    HA3  GLY  22           HA1      GLY  22   4.449  -8.427   5.694
  169    H    ILE  23           H        ILE  23   4.034 -10.609   5.881
  170    HA   ILE  23           HA       ILE  23   3.896 -12.394   3.712
  171    HB   ILE  23           HB       ILE  23   2.667 -13.919   5.265
  172   HG12  ILE  23          HG21      ILE  23   1.670 -11.980   6.633
  173   HG13  ILE  23          HG11      ILE  23   2.241 -13.387   7.517
  174   HG21  ILE  23          HG12      ILE  23   4.979 -14.199   5.134
  175   HG22  ILE  23          HG22      ILE  23   4.636 -14.113   6.862
  176   HG23  ILE  23          HG23      ILE  23   5.302 -12.711   6.025
  177   HD11  ILE  23          HD11      ILE  23   2.785 -11.082   8.452
  178   HD12  ILE  23          HD12      ILE  23   3.960 -10.959   7.142
  179   HD13  ILE  23          HD13      ILE  23   4.106 -12.246   8.340
  180    H    ARG  24           H        ARG  24   2.624 -11.881   2.074
  181    HA   ARG  24           HA       ARG  24   0.770 -11.682   0.800
  182    HB2  ARG  24           HB2      ARG  24  -0.427 -12.956   3.243
  183    HB3  ARG  24           HB1      ARG  24  -1.452 -12.444   1.911
  184    HG2  ARG  24           HG2      ARG  24  -0.978 -14.768   1.652
  185    HG3  ARG  24           HG1      ARG  24  -0.112 -13.886   0.395
  186    HD2  ARG  24           HD2      ARG  24   1.939 -14.013   1.754
  187    HD3  ARG  24           HD1      ARG  24   1.061 -14.944   2.966
  188    HE   ARG  24           HE       ARG  24   2.181 -15.916   0.538
  189   HH11  ARG  24          HH11      ARG  24  -0.459 -16.416   2.782
  190   HH12  ARG  24          HH12      ARG  24  -0.716 -18.064   2.318
  191   HH21  ARG  24          HH21      ARG  24   1.849 -18.097  -0.078
  192   HH22  ARG  24          HH22      ARG  24   0.601 -19.022   0.688
  193    H    PHE  25           H        PHE  25   1.668  -9.389   1.842
  194    HA   PHE  25           HA       PHE  25  -0.802  -7.857   2.272
  195    HB2  PHE  25           HB2      PHE  25   1.758  -7.721   3.825
  196    HB3  PHE  25           HB1      PHE  25   0.827  -6.250   3.580
  197    HD1  PHE  25           HD1      PHE  25   0.532  -9.721   4.885
  198    HD2  PHE  25           HD2      PHE  25  -0.907  -5.720   5.002
  199    HE1  PHE  25           HE1      PHE  25  -0.879 -10.287   6.819
  200    HE2  PHE  25           HE2      PHE  25  -2.322  -6.279   6.933
  201    HZ   PHE  25           HZ       PHE  25  -2.309  -8.565   7.843
  202    H    LEU  26           H        LEU  26  -0.790  -5.759   1.340
  203    HA   LEU  26           HA       LEU  26   1.289  -5.410  -0.713
  204    HB2  LEU  26           HB2      LEU  26  -1.623  -4.732  -0.638
  205    HB3  LEU  26           HB1      LEU  26  -0.551  -3.769  -1.633
  206    HG   LEU  26           HG       LEU  26  -1.601  -5.461  -2.989
  207   HD11  LEU  26          HD11      LEU  26   1.102  -4.998  -2.869
  208   HD12  LEU  26          HD12      LEU  26   0.249  -5.830  -4.171
  209   HD13  LEU  26          HD13      LEU  26   0.999  -6.760  -2.874
  210   HD21  LEU  26          HD21      LEU  26  -0.752  -7.910  -2.400
  211   HD22  LEU  26          HD22      LEU  26  -2.256  -7.251  -1.758
  212   HD23  LEU  26          HD23      LEU  26  -0.797  -7.248  -0.767
  213    H    TYR  27           H        TYR  27   2.317  -3.446  -0.954
  214    HA   TYR  27           HA       TYR  27   1.929  -1.553   1.272
  215    HB2  TYR  27           HB2      TYR  27   4.142  -2.798   1.088
  216    HB3  TYR  27           HB1      TYR  27   4.430  -1.891  -0.392
  217    HD1  TYR  27           HD1      TYR  27   3.104  -0.938   2.971
  218    HD2  TYR  27           HD2      TYR  27   6.047  -0.283  -0.030
  219    HE1  TYR  27           HE1      TYR  27   4.047   0.897   4.306
  220    HE2  TYR  27           HE2      TYR  27   6.999   1.556   1.297
  221    HH   TYR  27           HH       TYR  27   6.151   2.093   4.556
  222    H    CYS  28           H        CYS  28   0.846   0.199   0.632
  223    HA   CYS  28           HA       CYS  28   1.510   1.365  -1.995
  224    HB2  CYS  28           HB2      CYS  28  -1.257   1.468  -0.804
  225    HB3  CYS  28           HB1      CYS  28  -0.765   1.857  -2.447
  226    H    CYS  29           H        CYS  29   1.511   3.589  -2.135
  227    HA   CYS  29           HA       CYS  29   1.291   5.027   0.430
  228    HB2  CYS  29           HB2      CYS  29   3.004   5.785  -1.950
  229    HB3  CYS  29           HB1      CYS  29   2.974   6.580  -0.380
  230    HA   PRO  30           HA       PRO  30  -2.128   6.979  -1.705
  231    HB2  PRO  30           HB2      PRO  30  -2.545   8.935   0.188
  232    HB3  PRO  30           HB1      PRO  30  -3.201   7.297   0.284
  233    HG2  PRO  30           HG2      PRO  30  -0.815   8.471   1.634
  234    HG3  PRO  30           HG1      PRO  30  -2.001   7.309   2.255
  235    HD2  PRO  30           HD2      PRO  30   0.468   6.573   1.422
  236    HD3  PRO  30           HD1      PRO  30  -0.948   5.515   1.265
  237    H    ARG  31           H        ARG  31   0.597   8.732  -0.326
  238    HA   ARG  31           HA       ARG  31   0.546  10.529  -2.643
  239    HB2  ARG  31           HB2      ARG  31   0.682  11.282   0.248
  240    HB3  ARG  31           HB1      ARG  31   1.613  12.226  -0.904
  241    HG2  ARG  31           HG2      ARG  31  -0.402  13.379  -0.676
  242    HG3  ARG  31           HG1      ARG  31  -0.564  12.502  -2.197
  243    HD2  ARG  31           HD2      ARG  31  -2.621  12.270  -1.028
  244    HD3  ARG  31           HD1      ARG  31  -1.789  10.719  -0.932
  245    HE   ARG  31           HE       ARG  31  -1.749  10.939   1.333
  246   HH11  ARG  31          HH11      ARG  31  -2.282  14.115  -0.046
  247   HH12  ARG  31          HH12      ARG  31  -2.481  14.892   1.490
  248   HH21  ARG  31          HH21      ARG  31  -2.020  11.960   3.366
  249   HH22  ARG  31          HH22      ARG  31  -2.332  13.663   3.434
  250    H    ARG  32           H        ARG  32   2.563   9.710   0.191
  251    HA   ARG  32           HA       ARG  32   4.704   8.775  -1.490
  252    HB2  ARG  32           HB2      ARG  32   4.945  11.341   0.073
  253    HB3  ARG  32           HB1      ARG  32   6.353  10.346  -0.262
  254    HG2  ARG  32           HG2      ARG  32   4.539  11.614  -2.304
  255    HG3  ARG  32           HG1      ARG  32   6.171  12.135  -1.875
  256    HD2  ARG  32           HD2      ARG  32   7.101  10.076  -2.712
  257    HD3  ARG  32           HD1      ARG  32   5.491   9.422  -3.001
  258    HE   ARG  32           HE       ARG  32   5.449  10.528  -4.985
  259   HH11  ARG  32          HH11      ARG  32   7.906  12.002  -2.980
  260   HH12  ARG  32          HH12      ARG  32   8.446  13.093  -4.211
  261   HH21  ARG  32          HH21      ARG  32   6.155  11.957  -6.622
  262   HH22  ARG  32          HH22      ARG  32   7.444  13.068  -6.294
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1  10.693   8.840   4.928
    2    H2   GLY   1           2HT      GLY   1  12.127   8.051   4.499
    3    H3   GLY   1           3HT      GLY   1  11.638   8.096   6.117
    4    HA2  GLY   1           HA1      GLY   1  11.154   6.068   4.384
    5    HA3  GLY   1           HA2      GLY   1  10.314   6.342   5.907
    6    H    LEU   2           H        LEU   2   9.323   5.187   3.376
    7    HA   LEU   2           HA       LEU   2   7.591   7.126   2.179
    8    HB2  LEU   2           HB2      LEU   2   7.583   4.108   2.046
    9    HB3  LEU   2           HB1      LEU   2   6.573   5.152   1.065
   10    HG   LEU   2           HG       LEU   2   9.593   5.105   0.992
   11   HD11  LEU   2          HD11      LEU   2   9.161   4.144  -1.307
   12   HD12  LEU   2          HD12      LEU   2   7.508   3.847  -0.769
   13   HD13  LEU   2          HD13      LEU   2   8.858   3.069   0.058
   14   HD21  LEU   2          HD21      LEU   2   9.522   6.915  -0.304
   15   HD22  LEU   2          HD22      LEU   2   7.855   7.123   0.233
   16   HD23  LEU   2          HD23      LEU   2   8.197   6.264  -1.269
   17    H    LEU   3           H        LEU   3   5.560   7.661   2.729
   18    HA   LEU   3           HA       LEU   3   4.502   6.671   5.222
   19    HB2  LEU   3           HB2      LEU   3   2.802   8.380   4.985
   20    HB3  LEU   3           HB1      LEU   3   4.388   9.061   4.692
   21    HG   LEU   3           HG       LEU   3   2.607   8.227   2.412
   22   HD11  LEU   3          HD11      LEU   3   1.159   9.812   3.001
   23   HD12  LEU   3          HD12      LEU   3   2.423  10.975   2.601
   24   HD13  LEU   3          HD13      LEU   3   2.225  10.425   4.265
   25   HD21  LEU   3          HD21      LEU   3   4.654   8.673   1.492
   26   HD22  LEU   3          HD22      LEU   3   5.093   9.827   2.752
   27   HD23  LEU   3          HD23      LEU   3   3.962  10.295   1.482
   28    H    CYS   4           H        CYS   4   4.611   4.670   3.263
   29    HA   CYS   4           HA       CYS   4   1.960   4.356   2.164
   30    HB2  CYS   4           HB2      CYS   4   4.215   2.357   2.253
   31    HB3  CYS   4           HB1      CYS   4   2.746   2.210   1.314
   32    H    TYR   5           H        TYR   5   0.606   2.567   2.644
   33    HA   TYR   5           HA       TYR   5   0.776   1.735   5.456
   34    HB2  TYR   5           HB2      TYR   5  -1.734   1.350   5.196
   35    HB3  TYR   5           HB1      TYR   5  -1.187   3.021   5.223
   36    HD1  TYR   5           HD1      TYR   5  -1.799   0.331   2.693
   37    HD2  TYR   5           HD2      TYR   5  -2.166   4.445   3.691
   38    HE1  TYR   5           HE1      TYR   5  -2.957   0.730   0.573
   39    HE2  TYR   5           HE2      TYR   5  -3.328   4.859   1.560
   40    HH   TYR   5           HH       TYR   5  -4.516   3.732  -0.151
   41    H    CYS   6           H        CYS   6   0.640  -0.341   6.035
   42    HA   CYS   6           HA       CYS   6   1.047  -2.281   3.918
   43    HB2  CYS   6           HB2      CYS   6   2.466  -2.311   5.946
   44    HB3  CYS   6           HB1      CYS   6   1.042  -2.669   6.918
   45    H    ARG   7           H        ARG   7  -0.674  -3.309   3.066
   46    HA   ARG   7           HA       ARG   7  -2.948  -3.934   4.836
   47    HB2  ARG   7           HB2      ARG   7  -3.208  -2.896   2.008
   48    HB3  ARG   7           HB1      ARG   7  -4.533  -3.396   3.044
   49    HG2  ARG   7           HG2      ARG   7  -2.746  -1.005   3.369
   50    HG3  ARG   7           HG1      ARG   7  -4.476  -1.026   3.033
   51    HD2  ARG   7           HD2      ARG   7  -3.116  -1.918   5.571
   52    HD3  ARG   7           HD1      ARG   7  -4.079  -0.458   5.352
   53    HE   ARG   7           HE       ARG   7  -5.817  -2.410   4.682
   54   HH11  ARG   7          HH11      ARG   7  -3.680  -2.028   7.420
   55   HH12  ARG   7          HH12      ARG   7  -4.754  -2.799   8.541
   56   HH21  ARG   7          HH21      ARG   7  -7.251  -3.446   6.152
   57   HH22  ARG   7          HH22      ARG   7  -6.792  -3.612   7.814
   58    H    LYS   8           H        LYS   8  -3.490  -5.996   4.788
   59    HA   LYS   8           HA       LYS   8  -2.345  -7.758   2.794
   60    HB2  LYS   8           HB2      LYS   8  -2.624  -8.157   5.348
   61    HB3  LYS   8           HB1      LYS   8  -4.252  -8.651   4.926
   62    HG2  LYS   8           HG2      LYS   8  -1.813  -9.844   3.642
   63    HG3  LYS   8           HG1      LYS   8  -2.505 -10.475   5.132
   64    HD2  LYS   8           HD2      LYS   8  -4.591 -10.950   4.009
   65    HD3  LYS   8           HD1      LYS   8  -3.998 -10.197   2.526
   66    HE2  LYS   8           HE2      LYS   8  -3.886 -12.674   2.486
   67    HE3  LYS   8           HE1      LYS   8  -2.318 -11.897   2.270
   68    HZ1  LYS   8           HZ1      LYS   8  -2.782 -13.870   4.008
   69    HZ2  LYS   8           HZ2      LYS   8  -3.015 -12.528   5.009
   70    HZ3  LYS   8           HZ3      LYS   8  -1.548 -12.727   4.192
   71    H    GLY   9           H        GLY   9  -3.608  -6.623   1.128
   72    HA2  GLY   9           HA2      GLY   9  -5.793  -8.201   0.286
   73    HA3  GLY   9           HA1      GLY   9  -6.398  -6.694   0.954
   74    H    HIS  10           H        HIS  10  -5.712  -4.690  -0.043
   75    HA   HIS  10           HA       HIS  10  -4.224  -4.603  -2.427
   76    HB2  HIS  10           HB2      HIS  10  -6.143  -4.066  -4.001
   77    HB3  HIS  10           HB1      HIS  10  -5.957  -5.756  -3.559
   78    HD1  HIS  10           HD1      HIS  10  -8.036  -2.772  -2.403
   79    HD2  HIS  10           HD2      HIS  10  -8.288  -6.901  -2.827
   80    HE1  HIS  10           HE1      HIS  10 -10.399  -3.376  -1.769
   81    H    CYS  11           H        CYS  11  -3.732  -3.023  -0.570
   82    HA   CYS  11           HA       CYS  11  -3.500  -0.868   0.116
   83    HB2  CYS  11           HB2      CYS  11  -4.868  -0.090  -2.459
   84    HB3  CYS  11           HB1      CYS  11  -3.696   0.843  -1.534
   85    H    LYS  12           H        LYS  12  -5.103   1.396  -0.385
   86    HA   LYS  12           HA       LYS  12  -7.786   0.746   0.582
   87    HB2  LYS  12           HB2      LYS  12  -5.815   2.489   2.070
   88    HB3  LYS  12           HB1      LYS  12  -7.547   2.574   2.335
   89    HG2  LYS  12           HG2      LYS  12  -7.509   0.183   2.996
   90    HG3  LYS  12           HG1      LYS  12  -5.749   0.218   2.855
   91    HD2  LYS  12           HD2      LYS  12  -6.417   0.543   5.174
   92    HD3  LYS  12           HD1      LYS  12  -5.665   2.009   4.543
   93    HE2  LYS  12           HE2      LYS  12  -7.913   2.948   4.134
   94    HE3  LYS  12           HE1      LYS  12  -8.626   1.502   4.845
   95    HZ1  LYS  12           HZ1      LYS  12  -6.918   3.508   6.217
   96    HZ2  LYS  12           HZ2      LYS  12  -7.405   2.046   6.916
   97    HZ3  LYS  12           HZ3      LYS  12  -8.560   3.206   6.491
   98    H    ARG  13           H        ARG  13  -9.269   2.064  -0.303
   99    HA   ARG  13           HA       ARG  13 -10.226   3.710  -1.542
  100    HB2  ARG  13           HB2      ARG  13  -9.425   5.069   0.389
  101    HB3  ARG  13           HB1      ARG  13  -7.946   5.404  -0.492
  102    HG2  ARG  13           HG2      ARG  13  -9.398   6.451  -2.278
  103    HG3  ARG  13           HG1      ARG  13 -10.732   6.330  -1.128
  104    HD2  ARG  13           HD2      ARG  13  -9.842   7.907   0.280
  105    HD3  ARG  13           HD1      ARG  13  -8.185   7.578  -0.225
  106    HE   ARG  13           HE       ARG  13  -8.394   9.112  -1.909
  107   HH11  ARG  13          HH11      ARG  13 -11.559   8.530  -0.505
  108   HH12  ARG  13          HH12      ARG  13 -12.350   9.718  -1.483
  109   HH21  ARG  13          HH21      ARG  13  -9.419  10.635  -3.219
  110   HH22  ARG  13          HH22      ARG  13 -11.125  10.936  -3.030
  111    H    GLY  14           H        GLY  14  -8.177   1.993  -2.754
  112    HA2  GLY  14           HA2      GLY  14  -7.238   1.747  -4.837
  113    HA3  GLY  14           HA1      GLY  14  -8.008   3.264  -5.281
  114    H    GLY  15           H        GLY  15  -5.589   2.606  -2.784
  115    HA2  GLY  15           HA2      GLY  15  -4.032   4.877  -3.495
  116    HA3  GLY  15           HA1      GLY  15  -3.586   3.635  -2.333
  117    H    ARG  16           H        ARG  16  -1.647   4.701  -3.916
  118    HA   ARG  16           HA       ARG  16  -1.269   2.954  -6.198
  119    HB2  ARG  16           HB2      ARG  16  -0.647   5.310  -6.414
  120    HB3  ARG  16           HB1      ARG  16   0.472   5.155  -5.067
  121    HG2  ARG  16           HG2      ARG  16   1.631   5.141  -7.213
  122    HG3  ARG  16           HG1      ARG  16   1.841   3.615  -6.352
  123    HD2  ARG  16           HD2      ARG  16   0.029   2.639  -7.726
  124    HD3  ARG  16           HD1      ARG  16  -0.069   4.151  -8.625
  125    HE   ARG  16           HE       ARG  16   1.866   2.069  -8.945
  126   HH11  ARG  16          HH11      ARG  16   1.326   5.509  -9.324
  127   HH12  ARG  16          HH12      ARG  16   2.595   5.714 -10.484
  128   HH21  ARG  16          HH21      ARG  16   3.545   2.331 -10.479
  129   HH22  ARG  16          HH22      ARG  16   3.860   3.899 -11.145
  130    H    VAL  17           H        VAL  17  -0.424   1.037  -5.969
  131    HA   VAL  17           HA       VAL  17   0.746   0.048  -3.613
  132    HB   VAL  17           HB       VAL  17   1.209  -1.143  -6.342
  133   HG11  VAL  17          HG11      VAL  17   1.510  -3.172  -5.250
  134   HG12  VAL  17          HG21      VAL  17   0.702  -2.615  -3.785
  135   HG13  VAL  17          3HG1      VAL  17   2.310  -2.012  -4.188
  136   HG21  VAL  17          HG12      VAL  17  -1.317  -0.672  -5.051
  137   HG22  VAL  17          HG22      VAL  17  -1.015  -2.401  -5.214
  138   HG23  VAL  17          HG23      VAL  17  -0.981  -1.362  -6.638
  139    H    ARG  18           H        ARG  18   2.769   0.048  -2.891
  140    HA   ARG  18           HA       ARG  18   4.840   1.243  -4.600
  141    HB2  ARG  18           HB2      ARG  18   4.090   1.984  -2.105
  142    HB3  ARG  18           HB1      ARG  18   5.352   0.826  -1.713
  143    HG2  ARG  18           HG2      ARG  18   6.288   3.036  -1.805
  144    HG3  ARG  18           HG1      ARG  18   6.910   2.082  -3.155
  145    HD2  ARG  18           HD2      ARG  18   5.302   3.128  -4.656
  146    HD3  ARG  18           HD1      ARG  18   4.620   4.041  -3.313
  147    HE   ARG  18           HE       ARG  18   6.289   5.559  -3.571
  148   HH11  ARG  18          HH11      ARG  18   7.330   2.568  -5.065
  149   HH12  ARG  18          HH12      ARG  18   8.812   3.233  -5.667
  150   HH21  ARG  18          HH21      ARG  18   8.238   6.447  -4.373
  151   HH22  ARG  18          HH22      ARG  18   9.328   5.448  -5.273
  152    H    GLY  19           H        GLY  19   3.946  -1.533  -2.704
  153    HA2  GLY  19           HA2      GLY  19   5.442  -3.397  -4.063
  154    HA3  GLY  19           HA1      GLY  19   6.483  -2.842  -2.759
  155    H    THR  20           H        THR  20   6.434  -4.902  -1.790
  156    HA   THR  20           HA       THR  20   3.849  -5.690  -0.630
  157    HB   THR  20           HB       THR  20   5.075  -7.883  -0.167
  158    HG1  THR  20           HG1      THR  20   7.196  -6.927  -0.611
  159   HG21  THR  20          HG12      THR  20   3.801  -8.500  -1.891
  160   HG22  THR  20          HG22      THR  20   5.114  -8.050  -2.979
  161   HG23  THR  20          HG23      THR  20   3.867  -6.873  -2.568
  162    H    CYS  21           H        CYS  21   3.631  -5.914   1.580
  163    HA   CYS  21           HA       CYS  21   5.956  -5.069   3.168
  164    HB2  CYS  21           HB2      CYS  21   4.346  -4.148   4.806
  165    HB3  CYS  21           HB1      CYS  21   4.264  -3.363   3.233
  166    H    GLY  22           H        GLY  22   5.263  -7.775   2.422
  167    HA2  GLY  22           HA2      GLY  22   5.975  -9.318   4.428
  168    HA3  GLY  22           HA1      GLY  22   4.331  -8.956   4.931
  169    H    ILE  23           H        ILE  23   4.204 -11.361   4.797
  170    HA   ILE  23           HA       ILE  23   4.251 -12.618   2.241
  171    HB   ILE  23           HB       ILE  23   4.663 -14.010   4.119
  172   HG12  ILE  23          HG21      ILE  23   1.891 -14.656   3.095
  173   HG13  ILE  23          HG11      ILE  23   3.395 -15.041   2.268
  174   HG21  ILE  23          HG12      ILE  23   2.967 -12.434   5.520
  175   HG22  ILE  23          HG22      ILE  23   3.592 -13.983   6.088
  176   HG23  ILE  23          HG23      ILE  23   1.998 -13.896   5.338
  177   HD11  ILE  23          HD11      ILE  23   3.118 -16.026   5.035
  178   HD12  ILE  23          HD12      ILE  23   3.846 -16.790   3.622
  179   HD13  ILE  23          HD13      ILE  23   2.092 -16.774   3.812
  180    H    ARG  24           H        ARG  24   2.954 -11.733   0.783
  181    HA   ARG  24           HA       ARG  24   1.079 -11.299  -0.407
  182    HB2  ARG  24           HB2      ARG  24  -0.044 -13.103   1.695
  183    HB3  ARG  24           HB1      ARG  24  -1.160 -12.193   0.689
  184    HG2  ARG  24           HG2      ARG  24  -0.825 -14.405  -0.215
  185    HG3  ARG  24           HG1      ARG  24  -0.163 -13.195  -1.312
  186    HD2  ARG  24           HD2      ARG  24   2.081 -13.661  -0.512
  187    HD3  ARG  24           HD1      ARG  24   1.446 -14.809   0.664
  188    HE   ARG  24           HE       ARG  24   1.422 -16.378  -0.976
  189   HH11  ARG  24          HH11      ARG  24   1.390 -13.236  -2.532
  190   HH12  ARG  24          HH12      ARG  24   1.427 -13.887  -4.136
  191   HH21  ARG  24          HH21      ARG  24   1.471 -17.238  -3.093
  192   HH22  ARG  24          HH22      ARG  24   1.474 -16.168  -4.455
  193    H    PHE  25           H        PHE  25   2.136  -9.472   1.467
  194    HA   PHE  25           HA       PHE  25  -0.270  -7.974   2.269
  195    HB2  PHE  25           HB2      PHE  25   2.495  -8.103   3.440
  196    HB3  PHE  25           HB1      PHE  25   1.521  -6.655   3.654
  197    HD1  PHE  25           HD1      PHE  25   1.322 -10.351   4.115
  198    HD2  PHE  25           HD2      PHE  25   0.148  -6.497   5.471
  199    HE1  PHE  25           HE1      PHE  25   0.207 -11.378   6.054
  200    HE2  PHE  25           HE2      PHE  25  -0.968  -7.512   7.412
  201    HZ   PHE  25           HZ       PHE  25  -0.945  -9.954   7.700
  202    H    LEU  26           H        LEU  26  -0.628  -6.076   1.256
  203    HA   LEU  26           HA       LEU  26   1.380  -5.222  -0.690
  204    HB2  LEU  26           HB2      LEU  26  -1.558  -4.638  -0.435
  205    HB3  LEU  26           HB1      LEU  26  -0.523  -3.777  -1.554
  206    HG   LEU  26           HG       LEU  26   0.052  -6.071  -2.534
  207   HD11  LEU  26          HD11      LEU  26  -1.083  -7.192  -0.470
  208   HD12  LEU  26          HD12      LEU  26  -1.230  -7.922  -2.069
  209   HD13  LEU  26          HD13      LEU  26  -2.560  -6.971  -1.409
  210   HD21  LEU  26          HD21      LEU  26  -2.427  -6.092  -3.559
  211   HD22  LEU  26          HD22      LEU  26  -1.195  -4.914  -4.010
  212   HD23  LEU  26          HD23      LEU  26  -2.421  -4.493  -2.814
  213    H    TYR  27           H        TYR  27   2.468  -3.419  -0.519
  214    HA   TYR  27           HA       TYR  27   1.846  -1.578   1.695
  215    HB2  TYR  27           HB2      TYR  27   4.161  -2.801   1.344
  216    HB3  TYR  27           HB1      TYR  27   4.415  -1.555   0.129
  217    HD1  TYR  27           HD2      TYR  27   2.782  -1.310   3.469
  218    HD2  TYR  27           HD1      TYR  27   6.069  -0.179   1.019
  219    HE1  TYR  27           HE2      TYR  27   3.564   0.209   5.234
  220    HE2  TYR  27           HE1      TYR  27   6.866   1.342   2.781
  221    HH   TYR  27           HH       TYR  27   5.027   2.383   5.281
  222    H    CYS  28           H        CYS  28   0.655   0.125   0.976
  223    HA   CYS  28           HA       CYS  28   1.400   1.278  -1.641
  224    HB2  CYS  28           HB2      CYS  28  -1.442   1.321  -0.703
  225    HB3  CYS  28           HB1      CYS  28  -0.808   1.439  -2.340
  226    H    CYS  29           H        CYS  29   1.354   3.473  -1.834
  227    HA   CYS  29           HA       CYS  29   1.014   4.972   0.663
  228    HB2  CYS  29           HB2      CYS  29   2.649   5.358  -1.791
  229    HB3  CYS  29           HB1      CYS  29   2.067   6.806  -0.980
  230    HA   PRO  30           HA       PRO  30  -2.799   6.625  -0.848
  231    HB2  PRO  30           HB2      PRO  30  -2.980   8.816   0.756
  232    HB3  PRO  30           HB1      PRO  30  -3.303   7.174   1.321
  233    HG2  PRO  30           HG2      PRO  30  -0.843   8.842   1.647
  234    HG3  PRO  30           HG1      PRO  30  -1.638   7.774   2.819
  235    HD2  PRO  30           HD2      PRO  30   0.579   7.050   1.427
  236    HD3  PRO  30           HD1      PRO  30  -0.651   5.885   1.955
  237    H    ARG  31           H        ARG  31  -3.083   7.677  -2.694
  238    HA   ARG  31           HA       ARG  31  -2.142  10.364  -3.076
  239    HB2  ARG  31           HB2      ARG  31  -0.186   8.784  -3.680
  240    HB3  ARG  31           HB1      ARG  31  -1.158   8.322  -5.067
  241    HG2  ARG  31           HG2      ARG  31   0.245   9.954  -5.917
  242    HG3  ARG  31           HG1      ARG  31  -1.242  10.841  -5.586
  243    HD2  ARG  31           HD2      ARG  31   1.178  10.734  -3.785
  244    HD3  ARG  31           HD1      ARG  31   0.761  12.067  -4.860
  245    HE   ARG  31           HE       ARG  31  -1.424  11.634  -3.201
  246   HH11  ARG  31          HH11      ARG  31   1.912  12.632  -2.897
  247   HH12  ARG  31          HH12      ARG  31   1.634  13.600  -1.488
  248   HH21  ARG  31          HH21      ARG  31  -1.805  12.902  -1.336
  249   HH22  ARG  31          HH22      ARG  31  -0.492  13.751  -0.595
  250    H    ARG  32           H        ARG  32  -4.659   9.351  -2.905
  251    HA   ARG  32           HA       ARG  32  -5.829  10.186  -5.356
  252    HB2  ARG  32           HB2      ARG  32  -5.257   7.894  -6.014
  253    HB3  ARG  32           HB1      ARG  32  -6.054   7.266  -4.579
  254    HG2  ARG  32           HG2      ARG  32  -8.199   8.021  -5.403
  255    HG3  ARG  32           HG1      ARG  32  -7.423   8.743  -6.816
  256    HD2  ARG  32           HD2      ARG  32  -6.686   6.566  -7.567
  257    HD3  ARG  32           HD1      ARG  32  -7.334   5.812  -6.111
  258    HE   ARG  32           HE       ARG  32  -8.776   6.527  -8.466
  259   HH11  ARG  32          HH11      ARG  32  -9.051   6.077  -5.006
  260   HH12  ARG  32          HH12      ARG  32 -10.772   5.874  -5.041
  261   HH21  ARG  32          HH21      ARG  32 -11.050   6.253  -8.520
  262   HH22  ARG  32          HH22      ARG  32 -11.912   5.968  -7.046
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1   6.692  11.697   6.613
    2    H2   GLY   1           2HT      GLY   1   7.341  12.805   5.512
    3    H3   GLY   1           3HT      GLY   1   7.046  11.209   5.031
    4    HA2  GLY   1           HA1      GLY   1   4.678  12.395   6.049
    5    HA3  GLY   1           HA2      GLY   1   5.354  13.352   4.736
    6    H    LEU   2           H        LEU   2   2.897  11.834   4.690
    7    HA   LEU   2           HA       LEU   2   1.725  10.426   3.355
    8    HB2  LEU   2           HB2      LEU   2   2.947  11.795   1.623
    9    HB3  LEU   2           HB1      LEU   2   4.126  10.502   1.527
   10    HG   LEU   2           HG       LEU   2   2.260   8.959   0.850
   11   HD11  LEU   2          HD11      LEU   2   0.660  11.412   0.246
   12   HD12  LEU   2          HD12      LEU   2   0.517  10.613   1.811
   13   HD13  LEU   2          HD13      LEU   2   0.141   9.730   0.331
   14   HD21  LEU   2          HD21      LEU   2   2.886   9.351  -1.248
   15   HD22  LEU   2          HD22      LEU   2   3.743  10.769  -0.644
   16   HD23  LEU   2          HD23      LEU   2   2.098  10.929  -1.260
   17    H    LEU   3           H        LEU   3   2.665   9.094   5.379
   18    HA   LEU   3           HA       LEU   3   4.435   6.955   4.803
   19    HB2  LEU   3           HB2      LEU   3   3.436   8.021   7.073
   20    HB3  LEU   3           HB1      LEU   3   2.387   6.627   6.925
   21    HG   LEU   3           HG       LEU   3   4.327   6.214   8.390
   22   HD11  LEU   3          HD11      LEU   3   3.894   4.628   5.913
   23   HD12  LEU   3          HD12      LEU   3   3.566   4.212   7.595
   24   HD13  LEU   3          HD13      LEU   3   5.221   4.190   6.988
   25   HD21  LEU   3          HD21      LEU   3   6.298   5.929   6.298
   26   HD22  LEU   3          HD22      LEU   3   6.409   6.762   7.848
   27   HD23  LEU   3          HD23      LEU   3   5.741   7.596   6.446
   28    H    CYS   4           H        CYS   4   4.043   5.227   3.590
   29    HA   CYS   4           HA       CYS   4   1.477   4.682   2.511
   30    HB2  CYS   4           HB2      CYS   4   3.796   2.774   2.451
   31    HB3  CYS   4           HB1      CYS   4   2.530   2.995   1.251
   32    H    TYR   5           H        TYR   5   0.194   2.825   2.779
   33    HA   TYR   5           HA       TYR   5   0.367   1.685   5.479
   34    HB2  TYR   5           HB2      TYR   5  -2.118   1.227   5.113
   35    HB3  TYR   5           HB1      TYR   5  -1.629   2.899   5.347
   36    HD1  TYR   5           HD1      TYR   5  -2.117   0.495   2.518
   37    HD2  TYR   5           HD2      TYR   5  -2.587   4.467   3.953
   38    HE1  TYR   5           HE1      TYR   5  -3.233   1.108   0.424
   39    HE2  TYR   5           HE2      TYR   5  -3.705   5.093   1.853
   40    HH   TYR   5           HH       TYR   5  -3.482   3.775  -0.804
   41    H    CYS   6           H        CYS   6   0.227  -0.396   5.907
   42    HA   CYS   6           HA       CYS   6   0.692  -2.227   3.705
   43    HB2  CYS   6           HB2      CYS   6   2.128  -2.437   5.658
   44    HB3  CYS   6           HB1      CYS   6   0.728  -2.605   6.707
   45    H    ARG   7           H        ARG   7  -1.007  -3.248   2.791
   46    HA   ARG   7           HA       ARG   7  -3.367  -3.737   4.485
   47    HB2  ARG   7           HB2      ARG   7  -3.375  -2.758   1.629
   48    HB3  ARG   7           HB1      ARG   7  -4.803  -3.273   2.513
   49    HG2  ARG   7           HG2      ARG   7  -3.064  -0.888   3.048
   50    HG3  ARG   7           HG1      ARG   7  -4.764  -0.914   2.579
   51    HD2  ARG   7           HD2      ARG   7  -3.596  -1.869   5.188
   52    HD3  ARG   7           HD1      ARG   7  -4.547  -0.408   4.940
   53    HE   ARG   7           HE       ARG   7  -6.186  -2.389   4.058
   54   HH11  ARG   7          HH11      ARG   7  -4.390  -1.922   7.022
   55   HH12  ARG   7          HH12      ARG   7  -5.560  -2.724   8.017
   56   HH21  ARG   7          HH21      ARG   7  -7.740  -3.465   5.360
   57   HH22  ARG   7          HH22      ARG   7  -7.472  -3.610   7.067
   58    H    LYS   8           H        LYS   8  -4.391  -5.612   4.277
   59    HA   LYS   8           HA       LYS   8  -3.096  -7.674   2.703
   60    HB2  LYS   8           HB2      LYS   8  -3.589  -8.096   5.082
   61    HB3  LYS   8           HB1      LYS   8  -5.295  -7.825   4.784
   62    HG2  LYS   8           HG2      LYS   8  -3.878  -9.974   3.279
   63    HG3  LYS   8           HG1      LYS   8  -4.334 -10.244   4.960
   64    HD2  LYS   8           HD2      LYS   8  -6.674  -9.598   4.340
   65    HD3  LYS   8           HD1      LYS   8  -6.158  -9.573   2.653
   66    HE2  LYS   8           HE2      LYS   8  -7.186 -11.692   3.109
   67    HE3  LYS   8           HE1      LYS   8  -5.455 -11.941   2.890
   68    HZ1  LYS   8           HZ1      LYS   8  -6.953 -11.887   5.450
   69    HZ2  LYS   8           HZ2      LYS   8  -5.264 -11.885   5.360
   70    HZ3  LYS   8           HZ3      LYS   8  -6.141 -13.202   4.763
   71    H    GLY   9           H        GLY   9  -3.814  -8.108   0.746
   72    HA2  GLY   9           HA2      GLY   9  -5.397  -8.814  -0.820
   73    HA3  GLY   9           HA1      GLY   9  -6.670  -8.234   0.236
   74    H    HIS  10           H        HIS  10  -6.183  -5.560   0.522
   75    HA   HIS  10           HA       HIS  10  -5.547  -4.390  -2.034
   76    HB2  HIS  10           HB2      HIS  10  -7.866  -5.372  -2.310
   77    HB3  HIS  10           HB1      HIS  10  -8.418  -4.196  -1.124
   78    HD1  HIS  10           HD1      HIS  10  -6.413  -4.037  -4.366
   79    HD2  HIS  10           HD2      HIS  10  -9.448  -2.028  -2.355
   80    HE1  HIS  10           HE1      HIS  10  -7.085  -2.142  -5.878
   81    H    CYS  11           H        CYS  11  -5.321  -2.205  -2.011
   82    HA   CYS  11           HA       CYS  11  -4.753  -0.921   0.438
   83    HB2  CYS  11           HB2      CYS  11  -5.265   0.652  -2.046
   84    HB3  CYS  11           HB1      CYS  11  -3.952   0.794  -0.882
   85    H    LYS  12           H        LYS  12  -5.829   0.981   1.352
   86    HA   LYS  12           HA       LYS  12  -8.698   1.065   0.688
   87    HB2  LYS  12           HB2      LYS  12  -9.116   1.618   3.068
   88    HB3  LYS  12           HB1      LYS  12  -8.418   0.022   2.831
   89    HG2  LYS  12           HG2      LYS  12  -6.375   0.639   3.735
   90    HG3  LYS  12           HG1      LYS  12  -6.660   2.359   3.459
   91    HD2  LYS  12           HD2      LYS  12  -8.169   0.653   5.440
   92    HD3  LYS  12           HD1      LYS  12  -6.825   1.722   5.847
   93    HE2  LYS  12           HE2      LYS  12  -8.101   3.638   5.009
   94    HE3  LYS  12           HE1      LYS  12  -9.442   2.569   4.603
   95    HZ1  LYS  12           HZ1      LYS  12  -9.873   2.155   6.853
   96    HZ2  LYS  12           HZ2      LYS  12  -9.599   3.821   6.773
   97    HZ3  LYS  12           HZ3      LYS  12  -8.392   2.795   7.361
   98    H    ARG  13           H        ARG  13  -7.165   2.812  -0.713
   99    HA   ARG  13           HA       ARG  13  -8.350   5.287  -0.126
  100    HB2  ARG  13           HB2      ARG  13  -6.586   5.302   1.670
  101    HB3  ARG  13           HB1      ARG  13  -5.370   5.290   0.401
  102    HG2  ARG  13           HG2      ARG  13  -5.680   7.538   1.211
  103    HG3  ARG  13           HG1      ARG  13  -6.270   7.423  -0.449
  104    HD2  ARG  13           HD2      ARG  13  -8.564   7.195   0.399
  105    HD3  ARG  13           HD1      ARG  13  -7.963   7.343   2.048
  106    HE   ARG  13           HE       ARG  13  -7.143   9.590   0.537
  107   HH11  ARG  13          HH11      ARG  13 -10.018   8.179   1.946
  108   HH12  ARG  13          HH12      ARG  13 -10.816   9.698   2.163
  109   HH21  ARG  13          HH21      ARG  13  -8.179  11.595   0.798
  110   HH22  ARG  13          HH22      ARG  13  -9.764  11.654   1.514
  111    H    GLY  14           H        GLY  14  -5.589   3.681  -1.625
  112    HA2  GLY  14           HA2      GLY  14  -6.398   4.614  -4.220
  113    HA3  GLY  14           HA1      GLY  14  -4.928   5.388  -3.642
  114    H    GLY  15           H        GLY  15  -5.647   3.334  -5.802
  115    HA2  GLY  15           HA2      GLY  15  -4.237   0.950  -5.067
  116    HA3  GLY  15           HA1      GLY  15  -4.809   1.372  -6.673
  117    H    ARG  16           H        ARG  16  -2.468   2.871  -4.447
  118    HA   ARG  16           HA       ARG  16  -0.525   2.805  -6.652
  119    HB2  ARG  16           HB2      ARG  16  -1.087   4.842  -4.555
  120    HB3  ARG  16           HB1      ARG  16   0.580   4.641  -5.076
  121    HG2  ARG  16           HG2      ARG  16  -1.781   5.335  -6.811
  122    HG3  ARG  16           HG1      ARG  16  -0.443   6.394  -6.357
  123    HD2  ARG  16           HD2      ARG  16   1.113   4.863  -7.524
  124    HD3  ARG  16           HD1      ARG  16  -0.266   3.894  -8.040
  125    HE   ARG  16           HE       ARG  16  -0.613   6.587  -8.829
  126   HH11  ARG  16          HH11      ARG  16   1.220   3.714  -9.606
  127   HH12  ARG  16          HH12      ARG  16   1.470   4.156 -11.262
  128   HH21  ARG  16          HH21      ARG  16  -0.287   7.186 -11.026
  129   HH22  ARG  16          HH22      ARG  16   0.610   6.137 -12.071
  130    H    VAL  17           H        VAL  17  -0.244   0.564  -5.862
  131    HA   VAL  17           HA       VAL  17   0.917  -0.007  -3.359
  132    HB   VAL  17           HB       VAL  17   1.346  -1.561  -5.915
  133   HG11  VAL  17          HG11      VAL  17   1.351  -3.476  -4.209
  134   HG12  VAL  17          HG21      VAL  17   1.603  -2.214  -3.002
  135   HG13  VAL  17          3HG1      VAL  17   2.776  -2.441  -4.300
  136   HG21  VAL  17          HG12      VAL  17  -0.629  -2.918  -5.077
  137   HG22  VAL  17          HG22      VAL  17  -0.994  -1.338  -5.769
  138   HG23  VAL  17          HG23      VAL  17  -0.986  -1.554  -4.019
  139    H    ARG  18           H        ARG  18   2.876   0.460  -2.625
  140    HA   ARG  18           HA       ARG  18   4.870   1.515  -4.462
  141    HB2  ARG  18           HB2      ARG  18   4.157   2.372  -2.038
  142    HB3  ARG  18           HB1      ARG  18   5.409   1.237  -1.547
  143    HG2  ARG  18           HG2      ARG  18   6.289   3.490  -1.782
  144    HG3  ARG  18           HG1      ARG  18   7.027   2.397  -2.957
  145    HD2  ARG  18           HD2      ARG  18   5.414   3.217  -4.653
  146    HD3  ARG  18           HD1      ARG  18   4.796   4.364  -3.467
  147    HE   ARG  18           HE       ARG  18   6.577   5.708  -3.900
  148   HH11  ARG  18          HH11      ARG  18   7.333   2.491  -5.059
  149   HH12  ARG  18          HH12      ARG  18   8.832   2.963  -5.785
  150   HH21  ARG  18          HH21      ARG  18   8.558   6.343  -4.855
  151   HH22  ARG  18          HH22      ARG  18   9.534   5.165  -5.668
  152    H    GLY  19           H        GLY  19   4.251  -1.238  -2.428
  153    HA2  GLY  19           HA2      GLY  19   6.055  -2.899  -3.809
  154    HA3  GLY  19           HA1      GLY  19   6.805  -2.365  -2.309
  155    H    THR  20           H        THR  20   6.715  -4.777  -1.970
  156    HA   THR  20           HA       THR  20   4.084  -5.747  -1.191
  157    HB   THR  20           HB       THR  20   5.435  -7.877  -0.693
  158    HG1  THR  20           HG1      THR  20   7.517  -7.092  -0.712
  159   HG21  THR  20          HG12      THR  20   4.745  -6.682  -3.310
  160   HG22  THR  20          HG22      THR  20   4.194  -8.184  -2.570
  161   HG23  THR  20          HG23      THR  20   5.775  -8.113  -3.347
  162    H    CYS  21           H        CYS  21   3.471  -6.165   0.861
  163    HA   CYS  21           HA       CYS  21   5.291  -5.267   2.987
  164    HB2  CYS  21           HB2      CYS  21   3.156  -4.078   2.900
  165    HB3  CYS  21           HB1      CYS  21   2.283  -5.605   2.980
  166    H    GLY  22           H        GLY  22   6.243  -6.835   4.147
  167    HA2  GLY  22           HA2      GLY  22   6.600  -8.879   5.156
  168    HA3  GLY  22           HA1      GLY  22   4.859  -9.126   5.094
  169    H    ILE  23           H        ILE  23   4.438 -10.968   4.106
  170    HA   ILE  23           HA       ILE  23   5.690 -11.464   1.508
  171    HB   ILE  23           HB       ILE  23   5.758 -13.932   2.071
  172   HG12  ILE  23          HG21      ILE  23   5.563 -12.882   4.906
  173   HG13  ILE  23          HG11      ILE  23   4.322 -13.817   4.081
  174   HG21  ILE  23          HG12      ILE  23   7.918 -13.754   3.296
  175   HG22  ILE  23          HG22      ILE  23   7.600 -12.033   3.512
  176   HG23  ILE  23          HG23      ILE  23   7.799 -12.696   1.891
  177   HD11  ILE  23          HD11      ILE  23   7.058 -14.958   4.326
  178   HD12  ILE  23          HD12      ILE  23   5.497 -15.774   4.246
  179   HD13  ILE  23          HD13      ILE  23   5.991 -14.960   5.729
  180    H    ARG  24           H        ARG  24   3.170 -10.371   1.968
  181    HA   ARG  24           HA       ARG  24   1.554 -11.930   0.329
  182    HB2  ARG  24           HB2      ARG  24   1.528 -13.318   2.501
  183    HB3  ARG  24           HB1      ARG  24   0.486 -12.049   3.133
  184    HG2  ARG  24           HG2      ARG  24  -0.776 -13.971   2.278
  185    HG3  ARG  24           HG1      ARG  24  -1.152 -12.480   1.411
  186    HD2  ARG  24           HD2      ARG  24   0.286 -13.138  -0.420
  187    HD3  ARG  24           HD1      ARG  24   0.802 -14.575   0.460
  188    HE   ARG  24           HE       ARG  24  -1.588 -14.252  -1.071
  189   HH11  ARG  24          HH11      ARG  24  -0.168 -15.973   1.623
  190   HH12  ARG  24          HH12      ARG  24  -1.290 -17.290   1.547
  191   HH21  ARG  24          HH21      ARG  24  -3.080 -15.990  -1.183
  192   HH22  ARG  24          HH22      ARG  24  -2.953 -17.300  -0.057
  193    H    PHE  25           H        PHE  25   1.855  -9.406   2.628
  194    HA   PHE  25           HA       PHE  25  -0.692  -8.206   1.940
  195    HB2  PHE  25           HB2      PHE  25   1.516  -7.395   3.832
  196    HB3  PHE  25           HB1      PHE  25   0.123  -6.372   3.510
  197    HD1  PHE  25           HD2      PHE  25   0.223 -10.073   3.944
  198    HD2  PHE  25           HD1      PHE  25  -0.991  -6.317   5.536
  199    HE1  PHE  25           HE2      PHE  25  -1.038 -11.232   5.707
  200    HE2  PHE  25           HE1      PHE  25  -2.252  -7.471   7.303
  201    HZ   PHE  25           HZ       PHE  25  -2.281  -9.930   7.389
  202    H    LEU  26           H        LEU  26  -0.873  -6.050   1.111
  203    HA   LEU  26           HA       LEU  26   1.284  -5.408  -0.776
  204    HB2  LEU  26           HB2      LEU  26  -1.629  -4.603  -0.744
  205    HB3  LEU  26           HB1      LEU  26  -0.461  -3.989  -1.892
  206    HG   LEU  26           HG       LEU  26  -0.104  -6.436  -2.580
  207   HD11  LEU  26          HD11      LEU  26  -1.667  -8.052  -2.029
  208   HD12  LEU  26          HD12      LEU  26  -2.848  -6.867  -1.471
  209   HD13  LEU  26          HD13      LEU  26  -1.420  -7.217  -0.496
  210   HD21  LEU  26          HD21      LEU  26  -1.652  -6.198  -4.266
  211   HD22  LEU  26          HD22      LEU  26  -1.494  -4.536  -3.698
  212   HD23  LEU  26          HD23      LEU  26  -2.873  -5.512  -3.194
  213    H    TYR  27           H        TYR  27   2.419  -3.559  -0.566
  214    HA   TYR  27           HA       TYR  27   1.651  -1.774   1.635
  215    HB2  TYR  27           HB2      TYR  27   3.977  -2.885   1.486
  216    HB3  TYR  27           HB1      TYR  27   4.297  -1.736   0.190
  217    HD1  TYR  27           HD1      TYR  27   2.618  -1.462   3.516
  218    HD2  TYR  27           HD2      TYR  27   5.691  -0.049   0.937
  219    HE1  TYR  27           HE1      TYR  27   3.233   0.228   5.189
  220    HE2  TYR  27           HE2      TYR  27   6.318   1.647   2.606
  221    HH   TYR  27           HH       TYR  27   4.349   2.345   5.333
  222    H    CYS  28           H        CYS  28   0.097  -0.548   0.576
  223    HA   CYS  28           HA       CYS  28   0.922   0.910  -1.832
  224    HB2  CYS  28           HB2      CYS  28  -1.804   1.204  -0.666
  225    HB3  CYS  28           HB1      CYS  28  -1.303   1.193  -2.351
  226    H    CYS  29           H        CYS  29   0.994   3.139  -1.911
  227    HA   CYS  29           HA       CYS  29   1.136   4.452   0.685
  228    HB2  CYS  29           HB2      CYS  29   1.856   5.499  -2.063
  229    HB3  CYS  29           HB1      CYS  29   2.188   6.303  -0.530
  230    HA   PRO  30           HA       PRO  30  -2.869   6.217   0.271
  231    HB2  PRO  30           HB2      PRO  30  -2.667   8.342   1.926
  232    HB3  PRO  30           HB1      PRO  30  -2.702   6.675   2.516
  233    HG2  PRO  30           HG2      PRO  30  -0.356   8.485   2.092
  234    HG3  PRO  30           HG1      PRO  30  -0.702   7.404   3.455
  235    HD2  PRO  30           HD2      PRO  30   1.013   6.752   1.452
  236    HD3  PRO  30           HD1      PRO  30   0.057   5.545   2.334
  237    H    ARG  31           H        ARG  31  -3.223   9.075   0.761
  238    HA   ARG  31           HA       ARG  31  -1.951  10.673  -1.170
  239    HB2  ARG  31           HB2      ARG  31  -3.864  10.907  -2.758
  240    HB3  ARG  31           HB1      ARG  31  -3.121   9.313  -2.818
  241    HG2  ARG  31           HG2      ARG  31  -4.914   8.372  -1.514
  242    HG3  ARG  31           HG1      ARG  31  -5.627   9.968  -1.281
  243    HD2  ARG  31           HD2      ARG  31  -6.801   8.700  -3.008
  244    HD3  ARG  31           HD1      ARG  31  -6.045  10.150  -3.668
  245    HE   ARG  31           HE       ARG  31  -4.246   8.057  -3.997
  246   HH11  ARG  31          HH11      ARG  31  -7.445   8.927  -5.092
  247   HH12  ARG  31          HH12      ARG  31  -7.290   8.134  -6.623
  248   HH21  ARG  31          HH21      ARG  31  -4.020   6.993  -6.021
  249   HH22  ARG  31          HH22      ARG  31  -5.331   7.027  -7.154
  250    H    ARG  32           H        ARG  32  -4.301  12.266  -1.767
  251    HA   ARG  32           HA       ARG  32  -4.650  13.496   0.841
  252    HB2  ARG  32           HB2      ARG  32  -4.128  14.821  -1.267
  253    HB3  ARG  32           HB1      ARG  32  -5.758  14.443  -1.809
  254    HG2  ARG  32           HG2      ARG  32  -6.577  15.498   0.337
  255    HG3  ARG  32           HG1      ARG  32  -4.931  16.089   0.561
  256    HD2  ARG  32           HD2      ARG  32  -6.391  17.764  -0.480
  257    HD3  ARG  32           HD1      ARG  32  -5.044  17.308  -1.518
  258    HE   ARG  32           HE       ARG  32  -6.606  16.796  -3.074
  259   HH11  ARG  32          HH11      ARG  32  -8.018  16.019   0.046
  260   HH12  ARG  32          HH12      ARG  32  -9.539  15.542  -0.625
  261   HH21  ARG  32          HH21      ARG  32  -8.623  16.181  -3.948
  262   HH22  ARG  32          HH22      ARG  32  -9.887  15.643  -2.894
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1   2.985  16.295   4.078
    2    H2   GLY   1           2HT      GLY   1   1.604  15.992   3.148
    3    H3   GLY   1           3HT      GLY   1   2.918  16.815   2.469
    4    HA2  GLY   1           HA1      GLY   1   3.616  14.876   1.686
    5    HA3  GLY   1           HA2      GLY   1   4.012  14.481   3.356
    6    H    LEU   2           H        LEU   2   3.539  12.270   3.028
    7    HA   LEU   2           HA       LEU   2   0.769  11.647   3.408
    8    HB2  LEU   2           HB2      LEU   2   0.494  10.123   1.554
    9    HB3  LEU   2           HB1      LEU   2   0.835  11.728   0.965
   10    HG   LEU   2           HG       LEU   2   1.942  10.236  -0.478
   11   HD11  LEU   2          HD11      LEU   2   3.410  12.096   0.966
   12   HD12  LEU   2          HD12      LEU   2   3.804  11.396  -0.603
   13   HD13  LEU   2          HD13      LEU   2   4.435  10.664   0.872
   14   HD21  LEU   2          HD21      LEU   2   3.306   8.890   1.836
   15   HD22  LEU   2          HD22      LEU   2   3.350   8.429   0.135
   16   HD23  LEU   2          HD23      LEU   2   1.851   8.276   1.051
   17    H    LEU   3           H        LEU   3   0.434   9.517   4.183
   18    HA   LEU   3           HA       LEU   3   2.910   8.258   5.149
   19    HB2  LEU   3           HB2      LEU   3   1.508   9.233   6.924
   20    HB3  LEU   3           HB1      LEU   3   0.156   8.250   6.393
   21    HG   LEU   3           HG       LEU   3   1.455   6.212   6.979
   22   HD11  LEU   3          HD11      LEU   3   3.431   6.520   8.460
   23   HD12  LEU   3          HD12      LEU   3   3.423   8.233   8.036
   24   HD13  LEU   3          HD13      LEU   3   3.701   7.018   6.789
   25   HD21  LEU   3          HD21      LEU   3  -0.103   6.854   8.594
   26   HD22  LEU   3          HD22      LEU   3   0.823   8.281   9.056
   27   HD23  LEU   3          HD23      LEU   3   1.400   6.674   9.499
   28    H    CYS   4           H        CYS   4   3.300   6.235   4.536
   29    HA   CYS   4           HA       CYS   4   1.548   4.910   2.712
   30    HB2  CYS   4           HB2      CYS   4   4.046   3.883   4.059
   31    HB3  CYS   4           HB1      CYS   4   3.245   3.151   2.677
   32    H    TYR   5           H        TYR   5   0.897   2.609   3.016
   33    HA   TYR   5           HA       TYR   5   0.508   1.785   5.764
   34    HB2  TYR   5           HB2      TYR   5  -2.009   1.418   5.211
   35    HB3  TYR   5           HB1      TYR   5  -1.449   2.994   5.752
   36    HD1  TYR   5           HD2      TYR   5  -2.073   1.105   2.569
   37    HD2  TYR   5           HD1      TYR   5  -2.095   4.856   4.577
   38    HE1  TYR   5           HE2      TYR   5  -3.082   2.157   0.586
   39    HE2  TYR   5           HE1      TYR   5  -3.106   5.913   2.606
   40    HH   TYR   5           HH       TYR   5  -4.014   4.016  -0.245
   41    H    CYS   6           H        CYS   6   0.342  -0.270   6.090
   42    HA   CYS   6           HA       CYS   6   0.759  -2.059   3.846
   43    HB2  CYS   6           HB2      CYS   6   2.183  -2.240   5.847
   44    HB3  CYS   6           HB1      CYS   6   0.759  -2.538   6.834
   45    H    ARG   7           H        ARG   7  -0.922  -3.209   2.984
   46    HA   ARG   7           HA       ARG   7  -3.277  -3.634   4.704
   47    HB2  ARG   7           HB2      ARG   7  -3.375  -2.778   1.808
   48    HB3  ARG   7           HB1      ARG   7  -4.764  -3.176   2.805
   49    HG2  ARG   7           HG2      ARG   7  -2.912  -0.823   3.092
   50    HG3  ARG   7           HG1      ARG   7  -4.620  -0.809   2.655
   51    HD2  ARG   7           HD2      ARG   7  -3.411  -1.514   5.318
   52    HD3  ARG   7           HD1      ARG   7  -4.423  -0.128   4.939
   53    HE   ARG   7           HE       ARG   7  -5.937  -2.352   4.337
   54   HH11  ARG   7          HH11      ARG   7  -4.332  -1.086   7.170
   55   HH12  ARG   7          HH12      ARG   7  -5.463  -1.773   8.288
   56   HH21  ARG   7          HH21      ARG   7  -7.441  -3.287   5.814
   57   HH22  ARG   7          HH22      ARG   7  -7.232  -3.033   7.514
   58    H    LYS   8           H        LYS   8  -4.350  -5.512   4.493
   59    HA   LYS   8           HA       LYS   8  -3.044  -7.634   3.008
   60    HB2  LYS   8           HB2      LYS   8  -3.752  -7.927   5.363
   61    HB3  LYS   8           HB1      LYS   8  -5.423  -7.752   4.875
   62    HG2  LYS   8           HG2      LYS   8  -4.878 -10.084   5.191
   63    HG3  LYS   8           HG1      LYS   8  -5.215  -9.769   3.488
   64    HD2  LYS   8           HD2      LYS   8  -2.885  -9.776   2.957
   65    HD3  LYS   8           HD1      LYS   8  -2.442  -9.834   4.663
   66    HE2  LYS   8           HE2      LYS   8  -3.604 -12.046   4.798
   67    HE3  LYS   8           HE1      LYS   8  -3.793 -11.986   3.046
   68    HZ1  LYS   8           HZ1      LYS   8  -1.317 -11.728   2.936
   69    HZ2  LYS   8           HZ2      LYS   8  -1.857 -13.237   3.490
   70    HZ3  LYS   8           HZ3      LYS   8  -1.265 -12.099   4.588
   71    H    GLY   9           H        GLY   9  -3.909  -5.980   1.248
   72    HA2  GLY   9           HA2      GLY   9  -5.673  -7.423  -0.399
   73    HA3  GLY   9           HA1      GLY   9  -6.562  -6.099   0.351
   74    H    HIS  10           H        HIS  10  -6.841  -4.996  -1.648
   75    HA   HIS  10           HA       HIS  10  -4.412  -4.183  -3.038
   76    HB2  HIS  10           HB2      HIS  10  -6.446  -4.972  -4.296
   77    HB3  HIS  10           HB1      HIS  10  -7.269  -3.511  -3.764
   78    HD1  HIS  10           HD1      HIS  10  -3.909  -4.187  -5.457
   79    HD2  HIS  10           HD2      HIS  10  -7.220  -1.691  -5.751
   80    HE1  HIS  10           HE1      HIS  10  -3.438  -2.670  -7.406
   81    H    CYS  11           H        CYS  11  -5.304  -3.211  -0.355
   82    HA   CYS  11           HA       CYS  11  -5.105  -1.340   0.896
   83    HB2  CYS  11           HB2      CYS  11  -4.016  -0.159  -1.662
   84    HB3  CYS  11           HB1      CYS  11  -3.928   0.612  -0.080
   85    H    LYS  12           H        LYS  12  -6.297   0.397   1.564
   86    HA   LYS  12           HA       LYS  12  -8.692   0.927   0.002
   87    HB2  LYS  12           HB2      LYS  12  -9.356   2.200   2.148
   88    HB3  LYS  12           HB1      LYS  12  -9.298   0.446   2.197
   89    HG2  LYS  12           HG2      LYS  12  -7.322   0.431   3.443
   90    HG3  LYS  12           HG1      LYS  12  -6.967   2.116   3.076
   91    HD2  LYS  12           HD2      LYS  12  -7.734   1.902   5.369
   92    HD3  LYS  12           HD1      LYS  12  -8.916   2.800   4.420
   93    HE2  LYS  12           HE2      LYS  12  -9.234  -0.152   4.741
   94    HE3  LYS  12           HE1      LYS  12  -9.671   0.910   6.076
   95    HZ1  LYS  12           HZ1      LYS  12 -11.637   0.721   4.922
   96    HZ2  LYS  12           HZ2      LYS  12 -10.891   0.695   3.405
   97    HZ3  LYS  12           HZ3      LYS  12 -11.010   2.147   4.263
   98    H    ARG  13           H        ARG  13  -9.521   3.087  -0.218
   99    HA   ARG  13           HA       ARG  13  -9.467   5.307  -0.685
  100    HB2  ARG  13           HB2      ARG  13  -8.091   5.726   1.298
  101    HB3  ARG  13           HB1      ARG  13  -6.643   5.292   0.399
  102    HG2  ARG  13           HG2      ARG  13  -7.168   7.180  -1.167
  103    HG3  ARG  13           HG1      ARG  13  -8.436   7.665  -0.045
  104    HD2  ARG  13           HD2      ARG  13  -5.520   7.400   0.672
  105    HD3  ARG  13           HD1      ARG  13  -6.305   8.914   0.232
  106    HE   ARG  13           HE       ARG  13  -7.480   8.877   2.267
  107   HH11  ARG  13          HH11      ARG  13  -5.270   6.182   1.952
  108   HH12  ARG  13          HH12      ARG  13  -5.289   5.803   3.643
  109   HH21  ARG  13          HH21      ARG  13  -7.519   8.373   4.502
  110   HH22  ARG  13          HH22      ARG  13  -6.576   7.049   5.097
  111    H    GLY  14           H        GLY  14  -6.495   3.568  -1.534
  112    HA2  GLY  14           HA2      GLY  14  -6.960   3.995  -4.316
  113    HA3  GLY  14           HA1      GLY  14  -5.679   5.037  -3.714
  114    H    GLY  15           H        GLY  15  -6.018   2.431  -5.419
  115    HA2  GLY  15           HA2      GLY  15  -4.311   0.552  -4.070
  116    HA3  GLY  15           HA1      GLY  15  -4.893   0.438  -5.723
  117    H    ARG  16           H        ARG  16  -2.889   2.810  -3.999
  118    HA   ARG  16           HA       ARG  16  -1.046   2.881  -6.245
  119    HB2  ARG  16           HB2      ARG  16  -1.366   4.515  -3.743
  120    HB3  ARG  16           HB1      ARG  16   0.094   4.630  -4.716
  121    HG2  ARG  16           HG2      ARG  16  -1.224   5.319  -6.641
  122    HG3  ARG  16           HG1      ARG  16  -2.704   5.170  -5.689
  123    HD2  ARG  16           HD2      ARG  16  -1.812   7.505  -5.910
  124    HD3  ARG  16           HD1      ARG  16  -2.062   6.952  -4.255
  125    HE   ARG  16           HE       ARG  16   0.165   7.227  -3.879
  126   HH11  ARG  16          HH11      ARG  16  -0.295   6.990  -7.350
  127   HH12  ARG  16          HH12      ARG  16   1.377   7.253  -7.714
  128   HH21  ARG  16          HH21      ARG  16   2.350   7.582  -4.354
  129   HH22  ARG  16          HH22      ARG  16   2.890   7.590  -6.001
  130    H    VAL  17           H        VAL  17  -0.578   0.582  -5.750
  131    HA   VAL  17           HA       VAL  17   0.815  -0.233  -3.470
  132    HB   VAL  17           HB       VAL  17   1.594  -2.155  -4.849
  133   HG11  VAL  17          HG11      VAL  17  -0.353  -2.944  -4.119
  134   HG12  VAL  17          HG21      VAL  17  -1.050  -2.457  -5.664
  135   HG13  VAL  17          3HG1      VAL  17  -1.124  -1.365  -4.280
  136   HG21  VAL  17          HG12      VAL  17  -0.097  -1.321  -7.127
  137   HG22  VAL  17          HG22      VAL  17   1.380  -2.284  -7.102
  138   HG23  VAL  17          HG23      VAL  17   1.471  -0.527  -6.979
  139    H    ARG  18           H        ARG  18   2.834  -0.135  -2.845
  140    HA   ARG  18           HA       ARG  18   4.781   1.223  -4.578
  141    HB2  ARG  18           HB2      ARG  18   4.325   2.357  -2.464
  142    HB3  ARG  18           HB1      ARG  18   4.684   0.886  -1.572
  143    HG2  ARG  18           HG2      ARG  18   7.010   1.002  -2.333
  144    HG3  ARG  18           HG1      ARG  18   6.640   2.497  -3.200
  145    HD2  ARG  18           HD2      ARG  18   6.015   3.571  -1.112
  146    HD3  ARG  18           HD1      ARG  18   6.326   2.077  -0.233
  147    HE   ARG  18           HE       ARG  18   8.659   2.764  -1.591
  148   HH11  ARG  18          HH11      ARG  18   6.638   4.033   0.968
  149   HH12  ARG  18          HH12      ARG  18   7.948   4.797   1.806
  150   HH21  ARG  18          HH21      ARG  18  10.403   3.774  -0.490
  151   HH22  ARG  18          HH22      ARG  18  10.098   4.652   0.970
  152    H    GLY  19           H        GLY  19   4.163  -1.578  -2.580
  153    HA2  GLY  19           HA2      GLY  19   5.819  -3.292  -4.039
  154    HA3  GLY  19           HA1      GLY  19   6.731  -2.732  -2.643
  155    H    THR  20           H        THR  20   6.700  -5.042  -2.066
  156    HA   THR  20           HA       THR  20   4.140  -6.044  -1.121
  157    HB   THR  20           HB       THR  20   5.651  -8.051  -0.465
  158    HG1  THR  20           HG1      THR  20   7.603  -8.132  -1.562
  159   HG21  THR  20          HG12      THR  20   4.063  -8.217  -2.255
  160   HG22  THR  20          HG22      THR  20   5.594  -8.879  -2.827
  161   HG23  THR  20          HG23      THR  20   5.092  -7.262  -3.324
  162    H    CYS  21           H        CYS  21   3.607  -6.333   0.974
  163    HA   CYS  21           HA       CYS  21   5.372  -5.079   2.952
  164    HB2  CYS  21           HB2      CYS  21   3.070  -4.198   2.739
  165    HB3  CYS  21           HB1      CYS  21   2.440  -5.784   3.172
  166    H    GLY  22           H        GLY  22   6.232  -7.532   2.169
  167    HA2  GLY  22           HA2      GLY  22   7.163  -9.254   3.496
  168    HA3  GLY  22           HA1      GLY  22   5.830  -9.072   4.623
  169    H    ILE  23           H        ILE  23   5.096 -11.114   4.718
  170    HA   ILE  23           HA       ILE  23   4.841 -12.792   2.424
  171    HB   ILE  23           HB       ILE  23   3.704 -13.190   5.192
  172   HG12  ILE  23          HG21      ILE  23   6.144 -12.911   5.227
  173   HG13  ILE  23          HG11      ILE  23   5.694 -14.571   5.599
  174   HG21  ILE  23          HG12      ILE  23   3.462 -15.491   4.640
  175   HG22  ILE  23          HG22      ILE  23   4.299 -15.276   3.102
  176   HG23  ILE  23          HG23      ILE  23   2.703 -14.564   3.345
  177   HD11  ILE  23          HD11      ILE  23   7.118 -15.231   4.044
  178   HD12  ILE  23          HD12      ILE  23   7.403 -13.567   3.534
  179   HD13  ILE  23          HD13      ILE  23   6.076 -14.489   2.830
  180    H    ARG  24           H        ARG  24   3.424 -12.240   0.927
  181    HA   ARG  24           HA       ARG  24   1.484 -11.784  -0.154
  182    HB2  ARG  24           HB2      ARG  24   1.067 -14.030   1.081
  183    HB3  ARG  24           HB1      ARG  24   0.006 -13.081   2.115
  184    HG2  ARG  24           HG2      ARG  24  -1.289 -14.134   0.388
  185    HG3  ARG  24           HG1      ARG  24  -1.270 -12.391   0.117
  186    HD2  ARG  24           HD2      ARG  24   0.465 -12.663  -1.576
  187    HD3  ARG  24           HD1      ARG  24   0.491 -14.401  -1.285
  188    HE   ARG  24           HE       ARG  24  -2.125 -13.626  -1.951
  189   HH11  ARG  24          HH11      ARG  24   1.031 -13.949  -3.424
  190   HH12  ARG  24          HH12      ARG  24   0.408 -14.247  -5.012
  191   HH21  ARG  24          HH21      ARG  24  -2.962 -14.024  -4.048
  192   HH22  ARG  24          HH22      ARG  24  -1.872 -14.291  -5.368
  193    H    PHE  25           H        PHE  25   2.278  -9.579   1.113
  194    HA   PHE  25           HA       PHE  25  -0.253  -8.356   1.947
  195    HB2  PHE  25           HB2      PHE  25   2.292  -8.428   3.467
  196    HB3  PHE  25           HB1      PHE  25   1.493  -6.864   3.378
  197    HD1  PHE  25           HD2      PHE  25   1.038 -10.383   4.427
  198    HD2  PHE  25           HD1      PHE  25  -0.370  -6.378   4.690
  199    HE1  PHE  25           HE2      PHE  25  -0.457 -11.032   6.271
  200    HE2  PHE  25           HE1      PHE  25  -1.862  -7.017   6.537
  201    HZ   PHE  25           HZ       PHE  25  -1.915  -9.348   7.320
  202    H    LEU  26           H        LEU  26  -0.493  -6.191   1.271
  203    HA   LEU  26           HA       LEU  26   1.520  -5.381  -0.710
  204    HB2  LEU  26           HB2      LEU  26  -1.438  -4.860  -0.562
  205    HB3  LEU  26           HB1      LEU  26  -0.383  -3.916  -1.594
  206    HG   LEU  26           HG       LEU  26   0.315  -6.122  -2.667
  207   HD11  LEU  26          HD11      LEU  26  -2.266  -7.218  -1.646
  208   HD12  LEU  26          HD12      LEU  26  -0.790  -7.416  -0.700
  209   HD13  LEU  26          HD13      LEU  26  -0.880  -8.060  -2.339
  210   HD21  LEU  26          HD21      LEU  26  -1.632  -6.159  -4.130
  211   HD22  LEU  26          HD22      LEU  26  -1.154  -4.504  -3.751
  212   HD23  LEU  26          HD23      LEU  26  -2.548  -5.225  -2.948
  213    H    TYR  27           H        TYR  27   2.548  -3.538  -0.538
  214    HA   TYR  27           HA       TYR  27   1.905  -1.777   1.733
  215    HB2  TYR  27           HB2      TYR  27   4.152  -2.889   1.692
  216    HB3  TYR  27           HB1      TYR  27   4.494  -2.063   0.179
  217    HD1  TYR  27           HD1      TYR  27   3.023  -0.888   3.416
  218    HD2  TYR  27           HD2      TYR  27   6.128  -0.491   0.534
  219    HE1  TYR  27           HE1      TYR  27   3.950   1.008   4.680
  220    HE2  TYR  27           HE2      TYR  27   7.060   1.404   1.788
  221    HH   TYR  27           HH       TYR  27   6.396   2.075   4.870
  222    H    CYS  28           H        CYS  28   0.814   0.008   1.112
  223    HA   CYS  28           HA       CYS  28   1.440   1.131  -1.544
  224    HB2  CYS  28           HB2      CYS  28  -1.208   1.290  -0.102
  225    HB3  CYS  28           HB1      CYS  28  -0.855   1.856  -1.731
  226    H    CYS  29           H        CYS  29   1.211   3.402  -1.816
  227    HA   CYS  29           HA       CYS  29   1.258   5.002   0.646
  228    HB2  CYS  29           HB2      CYS  29   3.216   5.324  -1.642
  229    HB3  CYS  29           HB1      CYS  29   3.135   6.326  -0.199
  230    HA   PRO  30           HA       PRO  30  -1.668   7.208  -1.911
  231    HB2  PRO  30           HB2      PRO  30  -2.285   9.150  -0.133
  232    HB3  PRO  30           HB1      PRO  30  -2.874   7.491   0.028
  233    HG2  PRO  30           HG2      PRO  30  -0.585   8.830   1.413
  234    HG3  PRO  30           HG1      PRO  30  -1.816   7.741   2.080
  235    HD2  PRO  30           HD2      PRO  30   0.695   6.925   1.419
  236    HD3  PRO  30           HD1      PRO  30  -0.721   5.858   1.354
  237    H    ARG  31           H        ARG  31  -1.634  10.139  -0.882
  238    HA   ARG  31           HA       ARG  31   0.807  11.315  -1.703
  239    HB2  ARG  31           HB2      ARG  31   0.127  10.621  -3.938
  240    HB3  ARG  31           HB1      ARG  31  -1.469  11.322  -3.704
  241    HG2  ARG  31           HG2      ARG  31  -0.068  13.525  -3.320
  242    HG3  ARG  31           HG1      ARG  31   1.122  12.650  -4.286
  243    HD2  ARG  31           HD2      ARG  31  -0.282  14.023  -5.717
  244    HD3  ARG  31           HD1      ARG  31  -0.566  12.313  -6.038
  245    HE   ARG  31           HE       ARG  31  -2.424  13.202  -4.121
  246   HH11  ARG  31          HH11      ARG  31  -1.703  13.637  -7.521
  247   HH12  ARG  31          HH12      ARG  31  -3.349  13.948  -7.957
  248   HH21  ARG  31          HH21      ARG  31  -4.572  13.598  -4.666
  249   HH22  ARG  31          HH22      ARG  31  -4.997  13.929  -6.324
  250    H    ARG  32           H        ARG  32  -2.582  12.103  -2.299
  251    HA   ARG  32           HA       ARG  32  -3.191  13.605  -0.083
  252    HB2  ARG  32           HB2      ARG  32  -1.345  15.117  -0.819
  253    HB3  ARG  32           HB1      ARG  32  -2.170  15.348  -2.352
  254    HG2  ARG  32           HG2      ARG  32  -3.663  15.975   0.136
  255    HG3  ARG  32           HG1      ARG  32  -2.383  17.077  -0.367
  256    HD2  ARG  32           HD2      ARG  32  -3.445  17.455  -2.478
  257    HD3  ARG  32           HD1      ARG  32  -4.622  16.178  -2.175
  258    HE   ARG  32           HE       ARG  32  -4.720  18.885  -1.237
  259   HH11  ARG  32          HH11      ARG  32  -5.826  15.601  -0.671
  260   HH12  ARG  32          HH12      ARG  32  -7.141  16.099   0.354
  261   HH21  ARG  32          HH21      ARG  32  -6.463  19.530   0.106
  262   HH22  ARG  32          HH22      ARG  32  -7.504  18.330   0.792
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1   1.852   9.157   8.832
    2    H2   GLY   1           2HT      GLY   1   2.704   7.699   8.777
    3    H3   GLY   1           3HT      GLY   1   2.061   8.355   7.358
    4    HA2  GLY   1           HA1      GLY   1   3.628  10.364   8.311
    5    HA3  GLY   1           HA2      GLY   1   4.554   8.903   8.640
    6    H    LEU   2           H        LEU   2   6.113   9.270   7.063
    7    HA   LEU   2           HA       LEU   2   5.304   9.757   4.349
    8    HB2  LEU   2           HB2      LEU   2   7.623   9.874   3.786
    9    HB3  LEU   2           HB1      LEU   2   7.357  10.774   5.255
   10    HG   LEU   2           HG       LEU   2   9.432   9.730   5.519
   11   HD11  LEU   2          HD11      LEU   2   8.264   7.572   7.015
   12   HD12  LEU   2          HD12      LEU   2   7.378   9.077   7.257
   13   HD13  LEU   2          HD13      LEU   2   9.112   9.014   7.575
   14   HD21  LEU   2          HD21      LEU   2   9.017   8.092   3.627
   15   HD22  LEU   2          HD22      LEU   2   8.355   7.016   4.857
   16   HD23  LEU   2          HD23      LEU   2  10.033   7.549   4.962
   17    H    LEU   3           H        LEU   3   6.142   7.028   6.295
   18    HA   LEU   3           HA       LEU   3   6.580   5.227   4.125
   19    HB2  LEU   3           HB2      LEU   3   6.652   3.478   5.759
   20    HB3  LEU   3           HB1      LEU   3   7.541   4.853   6.378
   21    HG   LEU   3           HG       LEU   3   4.693   4.308   7.196
   22   HD11  LEU   3          HD11      LEU   3   7.039   2.772   7.825
   23   HD12  LEU   3          HD12      LEU   3   5.365   2.512   8.313
   24   HD13  LEU   3          HD13      LEU   3   6.409   3.558   9.273
   25   HD21  LEU   3          HD21      LEU   3   6.735   5.604   8.921
   26   HD22  LEU   3          HD22      LEU   3   4.999   5.891   8.811
   27   HD23  LEU   3          HD23      LEU   3   6.080   6.535   7.575
   28    H    CYS   4           H        CYS   4   5.215   3.714   3.276
   29    HA   CYS   4           HA       CYS   4   2.434   4.393   3.252
   30    HB2  CYS   4           HB2      CYS   4   3.829   2.006   2.031
   31    HB3  CYS   4           HB1      CYS   4   2.210   2.568   1.646
   32    H    TYR   5           H        TYR   5   0.732   2.719   3.578
   33    HA   TYR   5           HA       TYR   5   1.217   1.367   6.102
   34    HB2  TYR   5           HB2      TYR   5  -1.265   0.982   6.086
   35    HB3  TYR   5           HB1      TYR   5  -0.778   2.670   6.097
   36    HD1  TYR   5           HD1      TYR   5  -1.719  -0.012   3.657
   37    HD2  TYR   5           HD2      TYR   5  -1.845   4.119   4.653
   38    HE1  TYR   5           HE1      TYR   5  -3.135   0.409   1.696
   39    HE2  TYR   5           HE2      TYR   5  -3.261   4.553   2.690
   40    HH   TYR   5           HH       TYR   5  -3.833   3.598   0.587
   41    H    CYS   6           H        CYS   6   1.072  -0.747   6.482
   42    HA   CYS   6           HA       CYS   6   1.250  -2.464   4.131
   43    HB2  CYS   6           HB2      CYS   6   3.083  -2.668   5.703
   44    HB3  CYS   6           HB1      CYS   6   1.959  -2.942   7.027
   45    H    ARG   7           H        ARG   7  -0.586  -3.390   3.523
   46    HA   ARG   7           HA       ARG   7  -2.397  -4.470   5.575
   47    HB2  ARG   7           HB2      ARG   7  -3.417  -3.000   3.138
   48    HB3  ARG   7           HB1      ARG   7  -4.367  -3.644   4.464
   49    HG2  ARG   7           HG2      ARG   7  -2.460  -1.322   4.614
   50    HG3  ARG   7           HG1      ARG   7  -4.217  -1.222   4.557
   51    HD2  ARG   7           HD2      ARG   7  -2.511  -2.379   6.747
   52    HD3  ARG   7           HD1      ARG   7  -3.502  -0.929   6.821
   53    HE   ARG   7           HE       ARG   7  -5.205  -3.030   6.213
   54   HH11  ARG   7          HH11      ARG   7  -3.063  -2.135   8.817
   55   HH12  ARG   7          HH12      ARG   7  -4.019  -2.885  10.051
   56   HH21  ARG   7          HH21      ARG   7  -6.486  -4.047   7.844
   57   HH22  ARG   7          HH22      ARG   7  -5.969  -3.977   9.495
   58    H    LYS   8           H        LYS   8  -3.497  -6.335   4.953
   59    HA   LYS   8           HA       LYS   8  -2.302  -7.887   2.904
   60    HB2  LYS   8           HB2      LYS   8  -3.173  -9.032   4.819
   61    HB3  LYS   8           HB1      LYS   8  -4.763  -8.322   4.599
   62    HG2  LYS   8           HG2      LYS   8  -5.248  -9.688   2.763
   63    HG3  LYS   8           HG1      LYS   8  -3.553 -10.122   2.530
   64    HD2  LYS   8           HD2      LYS   8  -5.181 -10.896   4.948
   65    HD3  LYS   8           HD1      LYS   8  -4.950 -11.932   3.537
   66    HE2  LYS   8           HE2      LYS   8  -2.538 -11.895   3.895
   67    HE3  LYS   8           HE1      LYS   8  -2.749 -10.828   5.282
   68    HZ1  LYS   8           HZ1      LYS   8  -4.173 -12.668   6.233
   69    HZ2  LYS   8           HZ2      LYS   8  -2.510 -12.967   6.160
   70    HZ3  LYS   8           HZ3      LYS   8  -3.546 -13.663   5.019
   71    H    GLY   9           H        GLY   9  -5.096  -5.882   3.133
   72    HA2  GLY   9           HA2      GLY   9  -6.421  -6.699   0.764
   73    HA3  GLY   9           HA1      GLY   9  -6.650  -5.167   1.601
   74    H    HIS  10           H        HIS  10  -6.471  -5.676  -1.264
   75    HA   HIS  10           HA       HIS  10  -3.920  -4.809  -2.191
   76    HB2  HIS  10           HB2      HIS  10  -6.603  -5.022  -3.552
   77    HB3  HIS  10           HB1      HIS  10  -5.153  -4.471  -4.382
   78    HD1  HIS  10           HD1      HIS  10  -6.070  -6.783  -5.744
   79    HD2  HIS  10           HD2      HIS  10  -3.965  -7.230  -2.186
   80    HE1  HIS  10           HE1      HIS  10  -5.202  -9.144  -5.765
   81    H    CYS  11           H        CYS  11  -3.899  -2.993  -0.595
   82    HA   CYS  11           HA       CYS  11  -3.677  -0.768  -0.251
   83    HB2  CYS  11           HB2      CYS  11  -4.779  -0.480  -3.050
   84    HB3  CYS  11           HB1      CYS  11  -4.107   0.831  -2.089
   85    H    LYS  12           H        LYS  12  -4.874   0.914   0.624
   86    HA   LYS  12           HA       LYS  12  -7.768   0.411   0.694
   87    HB2  LYS  12           HB2      LYS  12  -5.909   1.676   2.702
   88    HB3  LYS  12           HB1      LYS  12  -7.656   1.833   2.814
   89    HG2  LYS  12           HG2      LYS  12  -6.093  -0.741   2.884
   90    HG3  LYS  12           HG1      LYS  12  -6.851   0.058   4.261
   91    HD2  LYS  12           HD2      LYS  12  -8.204  -1.211   1.882
   92    HD3  LYS  12           HD1      LYS  12  -8.297  -1.715   3.568
   93    HE2  LYS  12           HE2      LYS  12  -9.389   0.851   2.411
   94    HE3  LYS  12           HE1      LYS  12 -10.336  -0.560   2.874
   95    HZ1  LYS  12           HZ1      LYS  12  -9.653  -0.231   5.162
   96    HZ2  LYS  12           HZ2      LYS  12 -10.395   1.166   4.567
   97    HZ3  LYS  12           HZ3      LYS  12  -8.713   1.106   4.723
   98    H    ARG  13           H        ARG  13  -6.422   1.861  -1.393
   99    HA   ARG  13           HA       ARG  13  -8.105   4.169  -1.466
  100    HB2  ARG  13           HB2      ARG  13  -5.455   4.504  -0.438
  101    HB3  ARG  13           HB1      ARG  13  -5.553   5.304  -2.001
  102    HG2  ARG  13           HG2      ARG  13  -7.369   5.774   0.356
  103    HG3  ARG  13           HG1      ARG  13  -6.089   6.848  -0.214
  104    HD2  ARG  13           HD2      ARG  13  -7.262   7.153  -2.325
  105    HD3  ARG  13           HD1      ARG  13  -8.523   6.036  -1.802
  106    HE   ARG  13           HE       ARG  13  -8.322   8.083   0.094
  107   HH11  ARG  13          HH11      ARG  13  -9.303   7.627  -3.231
  108   HH12  ARG  13          HH12      ARG  13 -10.443   8.930  -3.215
  109   HH21  ARG  13          HH21      ARG  13  -9.829   9.812   0.130
  110   HH22  ARG  13          HH22      ARG  13 -10.743  10.181  -1.295
  111    H    GLY  14           H        GLY  14  -7.714   1.820  -3.018
  112    HA2  GLY  14           HA2      GLY  14  -7.782   1.266  -5.243
  113    HA3  GLY  14           HA1      GLY  14  -7.652   2.978  -5.611
  114    H    GLY  15           H        GLY  15  -6.153   2.958  -7.186
  115    HA2  GLY  15           HA2      GLY  15  -3.822   1.312  -7.135
  116    HA3  GLY  15           HA1      GLY  15  -4.164   2.598  -8.279
  117    H    ARG  16           H        ARG  16  -3.128   2.056  -4.923
  118    HA   ARG  16           HA       ARG  16  -1.259   4.301  -5.251
  119    HB2  ARG  16           HB2      ARG  16  -3.097   3.791  -2.914
  120    HB3  ARG  16           HB1      ARG  16  -1.678   4.823  -2.794
  121    HG2  ARG  16           HG2      ARG  16  -3.996   5.243  -4.671
  122    HG3  ARG  16           HG1      ARG  16  -3.715   6.114  -3.161
  123    HD2  ARG  16           HD2      ARG  16  -1.668   7.049  -4.027
  124    HD3  ARG  16           HD1      ARG  16  -1.799   6.076  -5.490
  125    HE   ARG  16           HE       ARG  16  -3.159   7.671  -6.353
  126   HH11  ARG  16          HH11      ARG  16  -3.242   7.985  -2.868
  127   HH12  ARG  16          HH12      ARG  16  -4.252   9.390  -2.888
  128   HH21  ARG  16          HH21      ARG  16  -4.491   9.527  -6.390
  129   HH22  ARG  16          HH22      ARG  16  -4.963  10.274  -4.901
  130    H    VAL  17           H        VAL  17  -0.838   1.495  -5.542
  131    HA   VAL  17           HA       VAL  17   0.507   0.581  -3.160
  132    HB   VAL  17           HB       VAL  17  -0.594  -1.088  -4.505
  133   HG11  VAL  17          HG11      VAL  17   0.386   0.370  -6.691
  134   HG12  VAL  17          HG21      VAL  17  -0.631  -1.070  -6.721
  135   HG13  VAL  17          3HG1      VAL  17   1.125  -1.228  -6.791
  136   HG21  VAL  17          HG12      VAL  17   1.159  -2.110  -3.430
  137   HG22  VAL  17          HG22      VAL  17   2.379  -1.216  -4.337
  138   HG23  VAL  17          HG23      VAL  17   1.490  -2.529  -5.111
  139    H    ARG  18           H        ARG  18   2.611   0.725  -2.709
  140    HA   ARG  18           HA       ARG  18   4.331   1.939  -4.761
  141    HB2  ARG  18           HB2      ARG  18   4.352   2.250  -1.765
  142    HB3  ARG  18           HB1      ARG  18   5.716   2.719  -2.771
  143    HG2  ARG  18           HG2      ARG  18   2.936   3.861  -2.770
  144    HG3  ARG  18           HG1      ARG  18   4.458   4.680  -2.401
  145    HD2  ARG  18           HD2      ARG  18   5.167   4.230  -4.758
  146    HD3  ARG  18           HD1      ARG  18   3.540   3.637  -5.075
  147    HE   ARG  18           HE       ARG  18   3.447   6.247  -3.962
  148   HH11  ARG  18          HH11      ARG  18   4.121   4.507  -6.924
  149   HH12  ARG  18          HH12      ARG  18   3.816   5.869  -7.946
  150   HH21  ARG  18          HH21      ARG  18   3.077   8.044  -5.271
  151   HH22  ARG  18          HH22      ARG  18   3.210   7.902  -7.002
  152    H    GLY  19           H        GLY  19   3.751  -0.848  -2.975
  153    HA2  GLY  19           HA2      GLY  19   5.813  -2.298  -4.136
  154    HA3  GLY  19           HA1      GLY  19   6.416  -1.749  -2.581
  155    H    THR  20           H        THR  20   6.527  -4.165  -2.375
  156    HA   THR  20           HA       THR  20   3.954  -5.302  -1.544
  157    HB   THR  20           HB       THR  20   5.315  -7.481  -1.552
  158    HG1  THR  20           HG1      THR  20   7.394  -6.711  -1.706
  159   HG21  THR  20          HG12      THR  20   4.886  -7.856  -3.866
  160   HG22  THR  20          HG22      THR  20   5.004  -6.135  -4.232
  161   HG23  THR  20          HG23      THR  20   3.643  -6.746  -3.292
  162    H    CYS  21           H        CYS  21   3.673  -6.099   0.507
  163    HA   CYS  21           HA       CYS  21   5.722  -5.341   2.461
  164    HB2  CYS  21           HB2      CYS  21   3.362  -4.458   2.661
  165    HB3  CYS  21           HB1      CYS  21   2.864  -6.109   3.012
  166    H    GLY  22           H        GLY  22   4.177  -7.224   4.293
  167    HA2  GLY  22           HA2      GLY  22   5.992  -9.407   4.092
  168    HA3  GLY  22           HA1      GLY  22   4.641  -9.290   5.206
  169    H    ILE  23           H        ILE  23   4.271 -11.536   4.874
  170    HA   ILE  23           HA       ILE  23   3.760 -12.684   2.358
  171    HB   ILE  23           HB       ILE  23   2.573 -14.486   3.704
  172   HG12  ILE  23          HG21      ILE  23   3.664 -12.868   6.022
  173   HG13  ILE  23          HG11      ILE  23   1.958 -13.036   5.626
  174   HG21  ILE  23          HG12      ILE  23   4.893 -14.948   4.949
  175   HG22  ILE  23          HG22      ILE  23   5.407 -13.668   3.850
  176   HG23  ILE  23          HG23      ILE  23   4.680 -15.142   3.209
  177   HD11  ILE  23          HD11      ILE  23   2.945 -14.498   7.485
  178   HD12  ILE  23          HD12      ILE  23   3.651 -15.440   6.173
  179   HD13  ILE  23          HD13      ILE  23   1.900 -15.260   6.287
  180    H    ARG  24           H        ARG  24   2.280 -11.917   1.052
  181    HA   ARG  24           HA       ARG  24   0.275 -11.427   0.129
  182    HB2  ARG  24           HB2      ARG  24  -0.793 -12.750   2.626
  183    HB3  ARG  24           HB1      ARG  24  -1.815 -12.190   1.310
  184    HG2  ARG  24           HG2      ARG  24   0.349 -14.274   1.082
  185    HG3  ARG  24           HG1      ARG  24  -1.385 -14.590   1.181
  186    HD2  ARG  24           HD2      ARG  24  -1.697 -13.277  -0.897
  187    HD3  ARG  24           HD1      ARG  24   0.051 -13.088  -1.007
  188    HE   ARG  24           HE       ARG  24  -1.477 -15.347  -1.799
  189   HH11  ARG  24          HH11      ARG  24   1.631 -14.445  -0.455
  190   HH12  ARG  24          HH12      ARG  24   2.426 -15.888  -0.986
  191   HH21  ARG  24          HH21      ARG  24  -0.427 -17.253  -2.506
  192   HH22  ARG  24          HH22      ARG  24   1.253 -17.488  -2.156
  193    H    PHE  25           H        PHE  25   1.622  -9.422   1.417
  194    HA   PHE  25           HA       PHE  25  -0.595  -7.712   2.303
  195    HB2  PHE  25           HB2      PHE  25   2.080  -8.092   3.620
  196    HB3  PHE  25           HB1      PHE  25   1.270  -6.537   3.721
  197    HD1  PHE  25           HD1      PHE  25   0.614 -10.161   4.338
  198    HD2  PHE  25           HD2      PHE  25  -0.154  -6.134   5.468
  199    HE1  PHE  25           HE1      PHE  25  -0.696 -10.953   6.262
  200    HE2  PHE  25           HE2      PHE  25  -1.467  -6.918   7.393
  201    HZ   PHE  25           HZ       PHE  25  -1.741  -9.332   7.791
  202    H    LEU  26           H        LEU  26  -0.548  -5.641   1.475
  203    HA   LEU  26           HA       LEU  26   1.597  -5.136  -0.472
  204    HB2  LEU  26           HB2      LEU  26  -1.276  -4.249  -0.433
  205    HB3  LEU  26           HB1      LEU  26  -0.080  -3.534  -1.499
  206    HG   LEU  26           HG       LEU  26  -1.032  -6.397  -1.502
  207   HD11  LEU  26          HD11      LEU  26  -1.091  -4.793  -3.948
  208   HD12  LEU  26          HD12      LEU  26  -2.148  -4.204  -2.665
  209   HD13  LEU  26          HD13      LEU  26  -2.315  -5.858  -3.254
  210   HD21  LEU  26          HD21      LEU  26   0.508  -6.151  -3.716
  211   HD22  LEU  26          HD22      LEU  26   1.060  -6.855  -2.196
  212   HD23  LEU  26          HD23      LEU  26   1.417  -5.169  -2.567
  213    H    TYR  27           H        TYR  27   2.567  -3.182  -0.614
  214    HA   TYR  27           HA       TYR  27   2.422  -1.490   1.780
  215    HB2  TYR  27           HB2      TYR  27   4.597  -2.534   1.006
  216    HB3  TYR  27           HB1      TYR  27   4.489  -1.541  -0.439
  217    HD1  TYR  27           HD1      TYR  27   4.249  -1.022   3.266
  218    HD2  TYR  27           HD2      TYR  27   5.837   0.299  -0.452
  219    HE1  TYR  27           HE1      TYR  27   5.457   0.781   4.427
  220    HE2  TYR  27           HE2      TYR  27   7.046   2.104   0.695
  221    HH   TYR  27           HH       TYR  27   7.528   2.199   3.985
  222    H    CYS  28           H        CYS  28   0.646  -0.168   1.302
  223    HA   CYS  28           HA       CYS  28   0.877   1.437  -1.169
  224    HB2  CYS  28           HB2      CYS  28  -1.698   0.873   0.292
  225    HB3  CYS  28           HB1      CYS  28  -1.492   1.519  -1.331
  226    H    CYS  29           H        CYS  29   0.647   3.632  -1.059
  227    HA   CYS  29           HA       CYS  29   0.615   4.787   1.639
  228    HB2  CYS  29           HB2      CYS  29   1.807   5.608  -0.953
  229    HB3  CYS  29           HB1      CYS  29   1.243   6.896   0.103
  230    HA   PRO  30           HA       PRO  30  -3.491   6.333   1.264
  231    HB2  PRO  30           HB2      PRO  30  -2.528   8.756   2.664
  232    HB3  PRO  30           HB1      PRO  30  -3.790   7.614   3.132
  233    HG2  PRO  30           HG2      PRO  30  -1.421   7.664   4.378
  234    HG3  PRO  30           HG1      PRO  30  -2.292   6.146   4.097
  235    HD2  PRO  30           HD2      PRO  30   0.072   7.272   2.656
  236    HD3  PRO  30           HD1      PRO  30  -0.298   5.588   3.079
  237    H    ARG  31           H        ARG  31  -0.909   8.709   0.729
  238    HA   ARG  31           HA       ARG  31  -2.067   9.515  -1.775
  239    HB2  ARG  31           HB2      ARG  31  -2.180  11.932  -1.175
  240    HB3  ARG  31           HB1      ARG  31  -3.381  10.950  -0.354
  241    HG2  ARG  31           HG2      ARG  31  -2.187  11.059   1.700
  242    HG3  ARG  31           HG1      ARG  31  -0.783  11.784   0.913
  243    HD2  ARG  31           HD2      ARG  31  -2.118  13.765   0.368
  244    HD3  ARG  31           HD1      ARG  31  -3.516  13.040   1.158
  245    HE   ARG  31           HE       ARG  31  -1.313  14.372   2.411
  246   HH11  ARG  31          HH11      ARG  31  -3.808  11.964   2.886
  247   HH12  ARG  31          HH12      ARG  31  -3.793  12.094   4.611
  248   HH21  ARG  31          HH21      ARG  31  -1.288  14.555   4.693
  249   HH22  ARG  31          HH22      ARG  31  -2.356  13.575   5.643
  250    H    ARG  32           H        ARG  32   0.183   8.270  -1.605
  251    HA   ARG  32           HA       ARG  32   2.157  10.213  -2.396
  252    HB2  ARG  32           HB2      ARG  32   2.654  10.185  -0.051
  253    HB3  ARG  32           HB1      ARG  32   2.530   8.434   0.019
  254    HG2  ARG  32           HG2      ARG  32   4.550   8.215  -1.305
  255    HG3  ARG  32           HG1      ARG  32   4.661   9.971  -1.452
  256    HD2  ARG  32           HD2      ARG  32   5.036  10.218   0.891
  257    HD3  ARG  32           HD1      ARG  32   4.660   8.521   1.188
  258    HE   ARG  32           HE       ARG  32   7.163   9.615   0.332
  259   HH11  ARG  32          HH11      ARG  32   5.156   6.750   0.339
  260   HH12  ARG  32          HH12      ARG  32   6.472   5.666   0.032
  261   HH21  ARG  32          HH21      ARG  32   8.914   8.185  -0.068
  262   HH22  ARG  32          HH22      ARG  32   8.615   6.485  -0.199