*HEADER    PLANT PROTEIN                           15-FEB-05   1YVA              
*TITLE     NMR SOLUTION STRUCTURE OF CRAMBIN IN DPC MICELLES                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CRAMBIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CRAMBE ABYSSINICA;                              
*SOURCE   3 ORGANISM_COMMON: ABYSSINIAN CRAMBE;                                  
*SOURCE   4 GENE: THI2;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET3A/SN_CRAMBIN                          
*KEYWDS    CRAMBIN, DPC, MICELLES                                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.-C.AHN, J.L.MARKLEY                                                 
*REVDAT   1   07-MAR-06 1YVA    0                                                


crambin_dpc_dis

assign  (resid 1 and name   HA)  (resid 1 and name HG2#) 3 1.2 0.6 !@
assign  (resid 1 and name   HA)  (resid 2 and name   HN) 3 1.2 0 !@5
assign  (resid 1 and name HG2#)  (resid 2 and name   HN) 3 1.2 1 !
assign  (resid 1 and name   HB)  (resid 2 and name   HN) 5 3.2 0 !@4
assign  (resid 1 and name HG2#)  (resid 3 and name   HN) 5 3.2 1 !@
assign  (resid 1 and name   HB)  (resid 35 and name   HN) 5 3.2 0 !@
assign  (resid 1 and name   HA)  (resid 35 and name   HN) 5 3.2 0 !@
assign  (resid 1 and name   HB)  (resid 35 and name HG1#) 5 3.2 1 !
assign  (resid 1 and name   HB)  (resid 35 and name HD1#) 5 3.2 1 !
assign  (resid 1 and name   HB)  (resid 37 and name   HN) 5 3.2 0 !@
assign  (resid 1 and name HG2#)  (resid 38 and name   HN) 5 3.2 1 !@
assign  (resid 1 and name HG2#)  (resid 38 and name   HA) 5 3.2 1 !@

assign  (resid 2 and name   HN)  (resid 2 and name   HA) 3 1.2 0 !
assign  (resid 2 and name   HN)  (resid 2 and name   HB) 3 1.2 0 !
assign  (resid 2 and name   HN)  (resid 2 and name HG2#) 4 2.2 1 !
assign  (resid 2 and name   HA)  (resid 2 and name HG2#) 3 1.2 0.6 !
assign  (resid 2 and name   HA)  (resid 3 and name   HN) 3 1.2 0 !
assign  (resid 2 and name   HB)  (resid 3 and name   HN) 5 3.2 0 !@4
assign  (resid 2 and name HG2#)  (resid 3 and name   HN) 3 1.2 1 !@4
assign  (resid 2 and name HG2#)  (resid 13 and name  HE#) 3 1.2 2.4 !@4
assign  (resid 2 and name   HA)  (resid 34 and name   HA) 4 2.2 0 !@3
assign  (resid 2 and name   HN)  (resid 35 and name HD1#) 5 3.2 1 !@
assign  (resid 2 and name   HA)  (resid 35 and name HD1#) 5 3.2 1 !@

assign  (resid 3 and name   HN)  (resid 3 and name   HA) 3 1.2 0 !
assign  (resid 3 and name   HN)  (resid 3 and name  HB1) 5 3.2 0 !
assign  (resid 3 and name   HN)  (resid 3 and name  HB2) 5 3.2 0 !
assign  (resid 3 and name   HA)  (resid 4 and name   HN) 4 2.2 0 ! @3
assign  (resid 3 and name  HB1)  (resid 4 and name   HN) 5 3.2 0 !
assign  (resid 3 and name  HB2)  (resid 4 and name   HN) 5 3.2 0 !
assign  (resid 3 and name   HN)  (resid 33 and name   HN) 4 2.2 0 !
assign  (resid 3 and name   HN)  (resid 33 and name   HB) 5 3.2 1 ! @
assign  (resid 3 and name   HN)  (resid 33 and name HG1#) 5 3.2 1 !
assign  (resid 3 and name   HN)  (resid 33 and name HD1#) 5 3.2 1 !
assign  (resid 3 and name  HB1)  (resid 33 and name HG11) 5 3.2 0 !
assign  (resid 3 and name  HB1)  (resid 33 and name HG12) 5 3.2 0 !
assign  (resid 3 and name  HB1)  (resid 33 and name HD1#) 5 3.2 1 !
assign  (resid 3 and name  HB2)  (resid 33 and name HG11) 5 3.2 0 !
assign  (resid 3 and name  HB2)  (resid 33 and name HG12) 5 3.2 0 !
assign  (resid 3 and name  HB2)  (resid 33 and name HD1#) 5 3.2 1 !
assign  (resid 3 and name   HN)  (resid 34 and name   HA) 5 3.2 0 !
assign  (resid 3 and name   HN)  (resid 34 and name HD1#) 5 3.2 1 ! @
assign  (resid 3 and name  HB#)  (resid 40 and name  HB#) 5 3.2 2 !
assign  (resid 3 and name  HB#)  (resid 44 and name  HB#) 5 3.2 2 !

assign  (resid 4 and name   HN)  (resid 4 and name   HA) 3 1.2 0 !
assign  (resid 4 and name   HN)  (resid 4 and name  HB#) 4 2.2 0.6 !
assign  (resid 4 and name   HN)  (resid 5 and name  HD#) 5 3.2 1 !
assign  (resid 4 and name   HA)  (resid 5 and name  HD#) 5 3.2 1 !
assign  (resid 4 and name  HB#)  (resid 5 and name  HD#) 5 3.2 2 !
assign  (resid 4 and name  HB#)  (resid 6 and name   HN) 4 2.2 1 !
assign  (resid 4 and name   HN)  (resid 9 and name  HB#) 5 3.2 1 ! @
assign  (resid 4 and name   HA)  (resid 9 and name  HB#) 5 3.2 1 !
assign  (resid 4 and name  HB#)  (resid 9 and name  HB#) 4 2.2 2 !
assign  (resid 4 and name  HB#)  (resid 10 and name   HN) 5 3.2 1 !
assign  (resid 4 and name   HN)  (resid 10 and name  HH#) 5 3.2 2 ! @
assign  (resid 4 and name   HN)  (resid 10 and name  HB#) 5 3.2 1 ! @
assign  (resid 4 and name   HN)  (resid 10 and name   HE) 5 3.2 0 !@
assign  (resid 4 and name   HA)  (resid 32 and name   HN) 5 3.2 0 !@
assign  (resid 4 and name   HA)  (resid 32 and name   HA) 4 2.2 0 !@3
assign  (resid 4 and name   HA)  (resid 33 and name   HN) 5 3.2 0 !
assign  (resid 4 and name   HN)  (resid 44 and name  HB#) 5 3.2 1 !@
assign  (resid 4 and name   HN)  (resid 44 and name  HD#) 5 3.2 2.4 !
assign  (resid 4 and name   HA)  (resid 44 and name  HD#) 5 3.2 2.4 !
assign  (resid 4 and name   HA)  (resid 44 and name  HE#) 5 3.2 2.4 !
assign  (resid 4 and name   HN)  (resid 46 and name   HN) 5 3.2 0 !
assign  (resid 4 and name  HB#)  (resid 46 and name   HN) 5 3.2 1 !
assign  (resid 4 and name   HN)  (resid 46 and name   HB#) 5 3.2 1 !

assign  (resid 5 and name   HA)  (resid 6 and name   HN) 5 3.2 0 !
assign  (resid 5 and name   HB1)  (resid 6 and name   HN) 5 3.2 0 
assign  (resid 5 and name   HB2)  (resid 6 and name   HN) 5 3.2 0 
assign  (resid 5 and name   HD#)  (resid 6 and name   HN) 5 2.2 1 !
assign  (resid 5 and name   HD#)  (resid 9 and name  HB#) 5 2.2 1 !
assign  (resid 5 and name   HD#)  (resid 32 and name   HN) 5 2.2 1 !@
assign  (resid 5 and name   HD2)  (resid 44 and name   HD#) 5 3.2 2.4 !
assign  (resid 5 and name   HD1)  (resid 44 and name   HD#) 5 3.2 2.4 !
assign  (resid 5 and name   HD2)  (resid 44 and name   HE#) 5 3.2 2.4 !
assign  (resid 5 and name   HD1)  (resid 44 and name   HE#) 5 3.2 2.4 !

assign  (resid 6 and name   HN)  (resid 6 and name   HA) 3 1.2 0 !
assign  (resid 6 and name   HN)  (resid 6 and name  HB1) 5 3.2 0 !
assign  (resid 6 and name   HN)  (resid 6 and name  HB2) 5 3.2 0 !
assign  (resid 6 and name  HB1)  (resid 7 and name   HN) 4 2.2 0 !
assign  (resid 6 and name  HB2)  (resid 7 and name   HN) 4 2.2 0 !
assign  (resid 6 and name   HA)  (resid 7 and name   HN) 4 2.2 0 !
assign  (resid 6 and name   HN)  (resid 7 and name   HN) 5 3.2 0 !@
assign  (resid 6 and name   HA)  (resid 8 and name   HN) 5 3.2 0 !@
assign  (resid 6 and name   HN)  (resid 8 and name   HN) 5 3.2 0 !@
assign  (resid 6 and name  HB#)  (resid 8 and name   HN) 5 3.2 1 !
assign  (resid 6 and name  HB2)  (resid 9 and name   HN) 5 3.2 0 !
assign  (resid 6 and name  HB1)  (resid 9 and name   HN) 5 3.2 0 !
assign  (resid 6 and name   HN)  (resid 9 and name   HN) 5 3.2 0 !@
assign  (resid 6 and name   HN)  (resid 9 and name  HB#) 3 1.2 1 !
assign  (resid 6 and name   HN)  (resid 10 and name   HN) 5 3.2 0 !@
assign  (resid 6 and name   HN)  (resid 10 and name  HB1) 5 3.2 0 !@
assign  (resid 6 and name   HN)  (resid 10 and name  HB2) 5 3.2 0 !@
assign  (resid 6 and name   HN)  (resid 46 and name   HN) 5 3.2 0 !@
assign  (resid 6 and name   HN)  (resid 46 and name  HB#) 5 3.2 1 !@

assign  (resid 7 and name   HN)  (resid 7 and name   HA) 3 1.2 0 !
assign  (resid 7 and name   HN)  (resid 7 and name HG11) 4 2.2 0 !
assign  (resid 7 and name   HA)  (resid 7 and name HG2#) 4 2.2 0.6 !
assign  (resid 7 and name   HN)  (resid 7 and name   HB) 3 1.2 0 !
assign  (resid 7 and name   HN)  (resid 7 and name HG12) 4 2.2 0 !
assign  (resid 7 and name   HN)  (resid 7 and name HG2#) 4 2.2 1 !
assign  (resid 7 and name   HN)  (resid 8 and name   HN) 4 2.2 0 !
assign  (resid 7 and name   HA)  (resid 8 and name   HN) 4 2.2 0 !
assign  (resid 7 and name HG11)  (resid 8 and name   HN) 5 3.2 0 !
assign  (resid 7 and name HG12)  (resid 8 and name   HN) 5 3.2 0 !
assign  (resid 7 and name   HB)  (resid 8 and name   HN) 4 2.2 0 !
assign  (resid 7 and name   HN)  (resid 9 and name   HN) 5 3.2 0 !@
assign  (resid 7 and name   HA)  (resid 9 and name   HN) 5 3.2 0 !@
assign  (resid 7 and name   HA)  (resid 10 and name   HN) 4 2.2 0 !
assign  (resid 7 and name   HA)  (resid 10 and name  HB2) 5 3.2 0 !
assign  (resid 7 and name   HA)  (resid 10 and name  HB1) 5 3.2 0 !
assign  (resid 7 and name   HA)  (resid 11 and name   HN) 5 3.2 0 !
assign  (resid 7 and name HG2#)  (resid 11 and name   HN) 5 3.2 1
assign  (resid 7 and name   HN)  (resid 46 and name HD2#) 5 3.2 1 !@
assign  (resid 7 and name   HA)  (resid 46 and name HD2#) 5 3.2 1 !@
assign  (resid 7 and name HG12)  (resid 46 and name HD2#) 5 3.2 1 !@
assign  (resid 7 and name HD1#)  (resid 46 and name HD2#) 5 3.2 2 !@
assign  (resid 7 and name HG11)  (resid 46 and name HD2#) 5 3.2 1 !@

assign  (resid 8 and name   HN)  (resid 8 and name   HA) 3 1.2 0 !
assign  (resid 8 and name   HN)  (resid 8 and name   HB) 3 1.2 0 !
assign  (resid 8 and name   HA)  (resid 8 and name HG1#) 4 2.2 0.6 !
assign  (resid 8 and name   HA)  (resid 8 and name HG2#) 3 1.2 0.6 !
assign  (resid 8 and name   HN)  (resid 8 and name HG1#) 4 2.2 0.6 !
assign  (resid 8 and name   HN)  (resid 8 and name HG2#) 3 1.2 0.6 !
assign  (resid 8 and name   HB)  (resid 9 and name   HN) 4 2.2 0 !
assign  (resid 8 and name   HN)  (resid 9 and name   HN) 4 2.2 0 !
assign  (resid 8 and name   HA)  (resid 9 and name   HN) 5 3.2 0 !
assign  (resid 8 and name   HN)  (resid 9 and name  HB#) 5 3.2 1 ! @
assign  (resid 8 and name HG1#)  (resid 9 and name   HN) 4 2.2 1 !
assign  (resid 8 and name HG2#)  (resid 9 and name   HN) 5 3.2 1 !
assign  (resid 8 and name   HN)  (resid 10 and name   HN) 5 3.2 0 !@
assign  (resid 8 and name   HA)  (resid 10 and name   HN) 5 3.2 1 !@
assign  (resid 8 and name   HN)  (resid 11 and name   HN) 5 3.2 0 !
assign  (resid 8 and name   HA)  (resid 11 and name   HN) 4 2.2 0 !
assign  (resid 8 and name   HA)  (resid 11 and name  HB#) 4 2.2 1 !
assign  (resid 8 and name   HA)  (resid 12 and name   HN) 5 3.2 0 !
assign  (resid 8 and name HG1#)  (resid 12 and name HD21) 4 2.2 1 !
assign  (resid 8 and name HG1#)  (resid 12 and name HD22) 4 2.2 1 !

assign  (resid 9 and name   HN)  (resid 9 and name   HA) 3 1.2 0 !
assign  (resid 9 and name   HN)  (resid 9 and name  HB#) 3 1.2 0.6 !
assign  (resid 9 and name   HN)  (resid 10 and name   HN) 4 2.2 0 !
assign  (resid 9   and name   HA)  (resid  10   and name   HN) 4 2.2 0 !@
assign  (resid 9 and name  HB#)  (resid 10 and name   HN) 4 2.2 1 !
assign  (resid 9 and name   HN)  (resid 11 and name   HN) 5 3.2 0 !
assign  (resid 9 and name  HB#)  (resid 11 and name   HN) 5 3.2 1 !@
assign  (resid  9    and name   HA)  (resid  12   and name   HN) 5 3.2 0 !@
assign  (resid 9 and name   HN)  (resid 12 and name   HN) 5 3.2 0 !@
assign  (resid 9 and name   HA)  (resid 12 and name  HB#) 4 2.2 1 !@
assign  (resid 9 and name  HB#)  (resid 12 and name   HN) 5 3.2 1 !@
assign  (resid 9 and name   HA)  (resid 12 and name HD21) 4 2.2 0 !
assign  (resid 9 and name   HA)  (resid 12 and name HD22) 4 2.2 0 !
assign  (resid 9 and name  HB#)  (resid 12 and name HD22) 5 3.2 1 !
assign  (resid 9 and name  HB#)  (resid 12 and name HD21) 5 3.2 1 !@
assign  (resid 9    and name   HA)  (resid  13   and name   HN) 5 3.2 0 !@
assign  (resid 9 and name  HB#)  (resid 13 and name   HN) 5 3.2 1 !@

assign  (resid 10 and name   HN)  (resid 10 and name   HA) 3 1.2 0 !
assign  (resid 10 and name   HN)  (resid 10 and name  HB1) 4 2.2 0 !
assign  (resid 10 and name   HN)  (resid 10 and name  HB2) 4 2.2 0 !
assign  (resid 10 and name   HN)  (resid 10 and name  HG#) 4 3.2 1 !
assign  (resid 10 and name   HN)  (resid 10 and name   HE) 5 3.2 0 !
assign  (resid 10 and name   HA)  (resid 10 and name  HD#) 4 2.2 1 !
assign  (resid 10 and name   HN)  (resid 10 and name  HD1) 5 3.2 0 !
assign  (resid 10 and name   HN)  (resid 10 and name  HD2) 5 3.2 0 !
assign  (resid 10 and name   HN)  (resid 11 and name   HN) 4 2.2 0 !
assign  (resid  10   and name   HA)  (resid  11   and name   HN) 4 2.2 0 !
assign  (resid 10 and name  HB1)  (resid 11 and name   HN) 4 2.2 0 !
assign  (resid 10 and name  HB2)  (resid 11 and name   HN) 4 2.2 0 !
assign  (resid 10 and name  HD#)  (resid 11 and name   HN) 5 3.2 1 !@
assign  (resid 10 and name   HN)  (resid 11 and name  HB#) 5 3.2 1 !@
assign  (resid 10 and name  HG#)  (resid 11 and name   HN) 5 3.2 1 !
assign  (resid 10 and name   HN)  (resid 12 and name   HN) 5 3.2 0 !@
assign  (resid 10 and name   HN)  (resid 13 and name   HN) 5 3.2 0 !@
assign  (resid 10 and name   HA)  (resid 13 and name   HN) 5 3.2 0 !
assign  (resid 10 and name   HA)  (resid 13 and name  HB1) 5 3.2 0 !
assign  (resid 10 and name   HA)  (resid 13 and name  HB2) 5 3.2 0 !
assign  (resid  10   and name   HA)  (resid  14   and name   HN) 5 3.2 0 !
assign  (resid 10 and name  HD#)  (resid 14 and name HD2#) 5 3.2 2 !
assign  (resid 10 and name  HB#)  (resid 14 and name HD2#) 5 3.2 2 !@
assign  (resid 10 and name  HG#)  (resid 14 and name HD2#) 5 3.2 2 !

assign  (resid 11 and name   HN)  (resid 11 and name   HA) 3 1.2 0 !
assign  (resid 11 and name   HN)  (resid 11 and name  HB#) 3 1.2 0.6 !
assign  (resid 11 and name   HN)  (resid 12 and name   HN) 4 2.2 0 !
assign  (resid  11   and name   HA)  (resid  12   and name   HN) 4 2.2 0 !
assign  (resid 11 and name   HN)  (resid 12 and name  HB#) 5 3.2 1 !@
assign  (resid 11 and name  HB#)  (resid 12 and name   HN) 3 1.2 1 !
assign  (resid 11 and name   HN)  (resid 13 and name   HN) 5 3.2 0 !@
assign  (resid  11   and name   HA)  (resid  14  and name   HN) 5 3.2 0 !@
assign  (resid 11 and name   HN)  (resid 14 and name  HB#) 5 3.2 1 !
assign  (resid 11 and name   HA)  (resid 14 and name  HB#) 5 3.2 1 !@
assign  (resid 11 and name   HA)  (resid 14 and name HD2#) 4 2.2 1 !@

assign  (resid 12 and name   HN)  (resid 12 and name   HA) 3 1.2 0 !
assign  (resid 12 and name   HN)  (resid 12 and name HD21) 5 3.2 0 !
assign  (resid 12 and name   HN)  (resid 12 and name  HB2) 4 2.2 0 !
assign  (resid 12 and name   HN)  (resid 12 and name  HB1) 4 2.2 0 !
assign  (resid 12 and name   HN)  (resid 12 and name HD22) 5 3.2 0 !
assign  (resid 12 and name  HB2)  (resid 13 and name   HN) 4 2.2 0 !
assign  (resid 12 and name  HB1)  (resid 13 and name   HN) 4 2.2 0 !
assign  (resid 12 and name   HA)  (resid 13 and name   HN) 5 3.2 0 !
assign  (resid 12 and name   HN)  (resid 13 and name   HN) 4 2.2 0 !
assign  (resid 12 and name   HA)  (resid 15 and name HG1#) 5 3.2 1 !@
assign  (resid 12 and name   HA)  (resid 15 and name HG2#) 5 3.2 1 !@
assign  (resid 12 and name   HA)  (resid 15 and name   HN) 4 2.2 0 !
assign  (resid 12 and name   HA)  (resid 15 and name   HB) 4 2.2 0 !
assign  (resid 12 and name   HA)  (resid 16 and name   HN) 5 3.2 0 !@
assign  (resid 12 and name   HN)  (resid 30 and name HG2#) 5 3.2 1 !@
assign  (resid 12 and name HD21)  (resid 30 and name HG2#) 5 3.2 1 !@
assign  (resid 12 and name HD22)  (resid 30 and name HG2#) 5 3.2 1 !@
assign  (resid 12 and name  HB1)  (resid 30 and name HG2#) 5 3.2 1 !
assign  (resid 12 and name  HB2)  (resid 30 and name HG2#) 5 3.2 1 !
assign  (resid 12 and name   HN)  (resid 30 and name HG2#) 5 3.2 1 !

assign  (resid 13 and name   HN)  (resid 13 and name  HA) 3 1.2 0 !
assign  (resid 13 and name   HN)  (resid 13 and name  HB2) 4 2.2 0 ! 
assign  (resid 13 and name   HN)  (resid 13 and name  HB1) 4 2.2 0 !
assign  (resid 13 and name   HN)  (resid 13 and name  HD1) 5 3.2 0 !
assign  (resid 13 and name   HN)  (resid 13 and name  HD2) 5 3.2 0 !
assign  (resid  13   and name   HA)  (resid  13   and name  HD#) 5 3.2 2.4 !
assign  (resid 13 and name   HN)  (resid 14 and name   HN) 4 2.2 0 !
assign  (resid  13   and name   HA)  (resid  14   and name   HN) 4 2.2 0 !
assign  (resid 13 and name   HN)  (resid 14 and name  HB#) 5 3.2 1 !@
assign  (resid 13 and name  HB2)  (resid 14 and name   HN) 4 2.2 0 !
assign  (resid 13 and name  HB1)  (resid 14 and name   HN) 4 2.2 0 !
assign  (resid 13 and name  HD2)  (resid 14 and name   HN) 5 3.2 0 !
assign  (resid 13 and name  HD1)  (resid 14 and name   HN) 5 3.2 0 !
assign  (resid 13 and name   HN)  (resid 15 and name   HN) 5 3.2 0 !@
assign  (resid 13 and name   HA)  (resid 15 and name   HN) 5 3.2 0 !@
assign  (resid 13 and name   HA)  (resid 16 and name   HN) 5 3.2 0 !
assign  (resid 13 and name   HA)  (resid 16 and name  HB#) 5 3.2 1 !
assign  (resid 13 and name   HA)  (resid 17 and name   HN) 5 3.2 0 !@
assign  (resid 13 and name  HD#)  (resid 17 and name   HN) 5 3.2 2.4 !@
assign  (resid 13 and name  HE#)  (resid 23 and name   HA) 4 2.2 2.4 !
assign  (resid 13 and name  HE#)  (resid 23 and name  HB#) 4 2.2 3.4 !
assign  (resid 13 and name  HE#)  (resid 23 and name  HG1) 4 2.2 2.4 !
assign  (resid 13 and name  HE#)  (resid 23 and name  HG2) 4 2.2 2.4 !
assign  (resid 13 and name  HE#)  (resid 26 and name   HN) 5 3.2 2.4 !@
assign  (resid 13 and name  HD#)  (resid 26 and name  HB1) 5 3.2 2.4 !
assign  (resid 13 and name  HD#)  (resid 26 and name  HB2) 5 3.2 2.4 !
assign  (resid 13 and name  HE#)  (resid 26 and name  HB1) 5 3.2 2.4 !
assign  (resid 13 and name  HE#)  (resid 26 and name  HB2) 5 3.2 2.4 !
assign  (resid 13 and name  HD#)  (resid 27 and name   HN) 5 3.2 2.4 !@
assign  (resid 13 and name  HE#)  (resid 27 and name   HN) 5 3.2 2.4 !
assign  (resid 13 and name  HD#)  (resid 27 and name   HA) 4 2.2 2.4 !
assign  (resid 13 and name  HE#)  (resid 27 and name   HA) 4 2.2 2.4 !
assign  (resid 13 and name  HE#)  (resid 27 and name  HB#) 4 2.2 3.4 !
assign  (resid 13 and name  HD#)  (resid 27 and name  HB#) 5 3.2 3.4 !@
assign  (resid 13 and name   HN)  (resid 30 and name HG2#) 4 2.2 1 !
assign  (resid 13 and name   HA)  (resid 30 and name HG2#) 4 2.2 1 !
assign  (resid 13 and name  HB2)  (resid 30 and name HG2#) 5 3.2 1 !
assign  (resid 13 and name  HB1)  (resid 30 and name HG2#) 5 3.2 1 !
assign  (resid 13 and name  HE#)  (resid 34 and name HG1#) 5 3.2 3.4 !@
assign  (resid 13 and name  HE#)  (resid 34 and name HD1#) 4 2.2 3.4 !

assign  (resid 14 and name   HN)  (resid 14 and name   HA) 3 1.2 0 !
assign  (resid 14 and name   HN)  (resid 14 and name HD21) 5 3.2 0 !
assign  (resid 14 and name   HN)  (resid 14 and name  HB1) 4 2.2 0 !
assign  (resid 14 and name   HN)  (resid 14 and name HD22) 5 3.2 0 !
assign  (resid 14 and name   HN)  (resid 14 and name  HB2) 4 2.2 0 !
assign  (resid 14 and name   HN)  (resid 15 and name   HN) 4 2.2 0 !
assign  (resid  14   and name   HA)  (resid  15   and name   HN) 4 2.2 0 !
assign  (resid 14 and name   HN)  (resid 15 and name HG1#) 5 3.2 1 !
assign  (resid 14 and name   HN)  (resid 15 and name HG2#) 5 3.2 1 !
assign  (resid 14 and name   HN)  (resid 15 and name   HB) 5 3.2 0 !@
assign  (resid 14 and name  HB2)  (resid 15 and name   HN) 4 2.2 0 !
assign  (resid 14 and name  HB1)  (resid 15 and name   HN) 4 2.2 0 !
assign  (resid 14 and name   HN)  (resid 16 and name   HN) 5 3.2 0 !@
assign  (resid 14 and name   HA)  (resid 17 and name   HN) 5 3.2 0 !@
assign  (resid 14 and name  HA)  (resid 17 and name   HB1) 5 3.2 0 !
assign  (resid 14 and name  HA)  (resid 17 and name   HB2) 5 3.2 0 !
assign  (resid 14 and name   HA)  (resid 17 and name  HG#) 5 3.2 1 !
assign  (resid 14 and name   HA)  (resid 18 and name   HN) 5 3.2 0 !@
assign  (resid 14 and name   HN)  (resid 30 and name HG2#) 5 3.2 1 !@

assign  (resid 15 and name   HN)  (resid 15 and name   HA) 3 1.2 0 !
assign  (resid 15 and name   HN)  (resid 15 and name   HB) 3 1.2 0 !
assign  (resid 15 and name   HN)  (resid 15 and name HG1#) 3 1.2 1 !
assign  (resid 15 and name   HA)  (resid 15 and name HG1#) 4 2.2 0.6 !
assign  (resid 15 and name   HN)  (resid 15 and name HG2#) 3       1.2 1 !
assign  (resid 15 and name   HA)  (resid 15 and name HG2#) 4 2.2 0.6 !
assign  (resid  15   and name   HA)  (resid  16   and name   HN) 4 2.2 0 !
assing  (resid  15   and name   HN)  (resid  16   and name   HN)  4       2.2     0 !
assign  (resid 15 and name   HN)  (resid 16 and name  HB#) 5 3.2 1 !@
assign  (resid 15 and name   HB)  (resid 16 and name   HN) 4 2.2 0 !
assign  (resid 15 and name HG1#)  (resid 16 and name   HN) 4 2.2 1 !
assign  (resid 15 and name HG2#)  (resid 16 and name   HN) 4 2.2 1 !
assign  (resid  15   and name   HN)  (resid  17   and name   HN) 5 3.2 0 !@
assign  (resid 15 and name   HA)  (resid 17 and name   HN) 5 3.2 0 !@
assign  (resid  15   and name   HA)  (resid  18   and name   HN) 5 3.2 0 !
assign  (resid 15 and name   HA)  (resid 18 and name  HB#) 5 3.2 1 !
assign  (resid 15 and name   HA)  (resid 18 and name   HG) 4 2.2 1 !@

assign  (resid 16 and name   HN)  (resid 16 and name   HA) 3 1.2 0 !
assign  (resid 16 and name   HN)  (resid 16 and name  HB1) 3 1.2 0 !
assign  (resid 16 and name   HN)  (resid 16 and name  HB2) 3 1.2 0 !
assign  (resid 16 and name   HN)  (resid 17 and name  HB#) 5 3.2 1 !@
assign  (resid 16 and name   HN)  (resid 17 and name   HN) 4 2.2 0 !
assign  (resid 16 and name   HA)  (resid 17 and name   HN) 5 3.2 0 !
assign  (resid 16 and name  HB2)  (resid 17 and name   HN) 5 3.2 0 !
assign  (resid 16 and name  HB1)  (resid 17 and name   HN) 5 3.2 0 !
assign  (resid 16 and name   HN)  (resid 26 and name  HB1) 5 3.2 0 !
assign  (resid 16 and name   HN)  (resid 26 and name  HB2) 5 3.2 0 !

assign  (resid 17 and name   HN)  (resid 17 and name   HA) 3 1.2 0 !
assign  (resid 17 and name   HN)  (resid 17 and name  HB1) 4 2.2 0 !
assign  (resid 17 and name   HN)  (resid 17 and name  HB2) 4 2.2 0 !
assign  (resid 17 and name   HN)  (resid 17 and name  HG#) 4 3.2 1 !
assign  (resid 17 and name   HN)  (resid 17 and name  HD1) 5 3.2 0 !
assign  (resid 17 and name   HN)  (resid 17 and name  HD2) 5 3.2 0 !
assign  (resid 17 and name   HA)  (resid 17 and name  HD1) 5 3.2 0 !
assign  (resid 17 and name   HA)  (resid 17 and name  HD2) 5 3.2 0 !
assign  (resid  17   and name   HA)  (resid  17   and name   HE) 5 3.2 0 !
assign  (resid 17 and name   HN)  (resid 18 and name   HG) 5 3.2 0 !@
assign  (resid 17 and name   HA)  (resid 18 and name   HN) 5 3.2 0 !
assign  (resid 17 and name  HG#)  (resid 18 and name   HN) 5 3.2 1 !
assign  (resid 17 and name   HN)  (resid 18 and name   HN) 4 2.2 0 !
assign  (resid 17 and name  HB#)  (resid 18 and name   HN) 4 2.2 1 !
assign  (resid 17 and name   HN)  (resid 19 and name  HD2) 5 3.2 0 !@
assign  (resid 17 and name   HN)  (resid 19 and name  HD1) 5 3.2 0 !@
assign  (resid 17 and name   HA)  (resid 20 and name   HN) 5 3.2 0 !@
assign  (resid 17 and name   HN)  (resid 21 and name   HN) 5 3.2 0 !@
assign  (resid 17 and name   HA)  (resid 21 and name   HN) 5 3.2 0 !@
assign  (resid 17 and name  HH#)  (resid 23 and name   HN) 5 3.2 2 !@
assign  (resid 17 and name  HD1)  (resid 23 and name   HA) 5 3.2 0 !
assign  (resid 17 and name  HD2)  (resid 23 and name   HA) 5 3.2 0 !

assign  (resid 18 and name   HN)  (resid 18 and name   HA) 3 1.2 0 !
assign  (resid 18 and name   HN)  (resid 18 and name  HB2) 3 1.2 0 !
assign  (resid 18 and name   HN)  (resid 18 and name  HB1) 3 1.2 0 !
assign  (resid 18 and name   HN)  (resid 19 and name  HD2) 4 2.2 0 !
assign  (resid 18 and name   HN)  (resid 19 and name  HD1) 4 2.2 0 !
assign  (resid 18 and name  HB2)  (resid 19 and name  HD#) 3 1.2 1 !
assign  (resid 18 and name  HB1)  (resid 19 and name  HD#) 3 1.2 1 !
assign  (resid 18 and name   HN)  (resid 20 and name   HN) 5 3.2 0 !@
assign  (resid 18 and name  HB#)  (resid 20 and name   HN) 5 3.2 1 !@
assign  (resid 18 and name   HN)  (resid 21 and name   HN) 5 3.2 0 !@

assign  (resid 19 and name  HB#)  (resid 20 and name   HN) 4 2.2 1 !
assign  (resid 19 and name  HG#)  (resid 20 and name   HN) 5 3.2 1 !@
assign  (resid  19   and name  HD1)  (resid  20   and name   HN) 5 3.2 0 !
assign  (resid  19   and name  HD2)  (resid  20   and name   HN) 5 3.2 0 !
assign  (resid 19 and name   HA)  (resid 20 and name   HN) 4 2.2 0 !
assign  (resid 19 and name   HA)  (resid 21 and name   HN) 5 3.2 0 !@
assign  (resid 19 and name  HD1)  (resid 21 and name   HN) 5 3.2 0 !@
assign  (resid 19 and name  HD2)  (resid 21 and name   HN) 5 3.2 0 !@
assign  (resid 19 and name  HB#)  (resid 21 and name   HN) 4 2.2 1 !
assign  (resid 19 and name  HG#)  (resid 21 and name   HN) 4 2.2 1 !@

assign  (resid 20 and name   HN)  (resid 20 and name  HA2) 3 1.2 0 !
assign  (resid 20 and name   HN)  (resid 20 and name  HA1) 3 1.2 0 !
assign  (resid 20 and name   HN)  (resid 21 and name   HN) 3 1.2 0 !
assign  (resid 20 and name   HN)  (resid 21 and name HG2#) 5 3.2 1 !@
assign  (resid 20 and name  HA2)  (resid 21 and name   HN) 4 2.2 0 !
assign  (resid 20 and name  HA1)  (resid 21 and name   HN) 4 2.2 0 !

assign  (resid 21 and name   HN)  (resid 21 and name   HA) 3 1.2 0 !
assign  (resid 21 and name   HN)  (resid 21 and name   HB) 3 1.2 0 !
assign  (resid 21 and name   HA)  (resid 21 and name HG2#) 3 1.2 0.6 !
assign  (resid 21 and name   HN)  (resid 21 and name HG2#) 4 2.2 1 !
assign  (resid 21 and name   HN)  (resid 22 and name  HD1) 4 2.2 0.5 !@
assign  (resid 21 and name   HN)  (resid 22 and name  HD2) 4 2.2 0.5 !@
assign  (resid 21 and name   HA)  (resid 22 and name  HG#) 5 3.2 1 !
assign  (resid 21 and name   HA)  (resid 22 and name  HD1) 3 1.2 1 !
assign  (resid 21 and name   HA)  (resid 22 and name  HD2) 3 1.2 1 !
assign  (resid 21 and name HG2#)  (resid 22 and name  HD2) 4 3.2 1 !
assign  (resid 21 and name HG2#)  (resid 22 and name  HD1) 4 3.2 1 !
assign  (resid 21 and name   HB)  (resid 23 and name   HN) 5 3.2 0 !@
assign  (resid 21 and name HG2#)  (resid 24 and name   HN) 5 3.2 1 !@
assign  (resid 21 and name HG2#)  (resid 25 and name   HN) 5 3.2 1 !@
assign  (resid 21 and name   HB)  (resid 26 and name   HN) 5 3.2 0 !@
assign  (resid 21 and name HG2#)  (resid 26 and name   HN) 4 2.2 1 !

assign  (resid 22 and name  HB1)  (resid 23 and name   HN) 4 2.2 0 !
assign  (resid 22 and name  HB2)  (resid 23 and name   HN) 4 2.2 0 !
assign  (resid 22 and name  HG#)  (resid 23 and name   HN) 5 3.2 1 !
assign  (resid 22 and name  HD#)  (resid 23 and name   HN) 5 3.2 1 !@
assign  (resid 22 and name   HA)  (resid 23 and name   HN) 3 1.2 0 !
assign  (resid 22 and name   HA)  (resid 24 and name   HN) 5 3.2 0 !@
assign  (resid 22 and name  HB2)  (resid 24 and name   HN) 5 3.2 0 !
assign  (resid 22 and name  HB1)  (resid 24 and name   HN) 5 3.2 0 !
assign  (resid 22 and name  HG#)  (resid 25 and name   HN) 5 3.2 1 !
assign  (resid 22 and name  HB1)  (resid 25 and name   HN) 5 3.2 1 !
assign  (resid 22 and name  HB2)  (resid 25 and name   HN) 5 3.2 0 !
assign  (resid 22 and name  HD2)  (resid 25 and name   HN) 5 3.2 0 !@
assign  (resid 22 and name  HD1)  (resid 25 and name   HN) 5 3.2 0 !@
assign  (resid 22 and name  HG#)  (resid 26 and name   HN) 5 3.2 1 !

assign  (resid 23 and name   HN)  (resid 23 and name   HA) 3 1.2 0 !
assign  (resid 23 and name   HN)  (resid 23 and name  HB#) 3 1.2 0.6 !
assign  (resid 23 and name   HN)  (resid 23 and name  HG2) 4 2.2 0 !
assign  (resid 23 and name   HN)  (resid 23 and name  HG1) 4 2.2 0 !
assign  (resid  23   and name   HA)  (resid  24   and name   HN) 4 2.2 0 !
assign  (resid 23 and name  HG1)  (resid 24 and name   HN) 5 3.2 0 !
assign  (resid 23 and name  HG2)  (resid 24 and name   HN) 5 3.2 0 !
assign  (resid 23 and name  HB#)  (resid 24 and name   HN) 4 2.2 1 !
assign  (resid 23 and name   HN)  (resid 24 and name   HN) 4 2.2 0 !
assign  (resid 23 and name   HN)  (resid 24 and name  HB#) 5 3.2 1 !@
assign  (resid 23 and name   HN)  (resid 25 and name   HN) 5 3.2 0 !@
assign  (resid 23 and name   HA)  (resid 26 and name   HN) 5 3.2 0 !
assign  (resid 23 and name   HA)  (resid 26 and name  HB1) 4 2.2 0 !
assign  (resid 23 and name   HA)  (resid 26 and name  HB2) 4 2.2 0 !
assign  (resid 23 and name   HA)  (resid 27 and name   HN) 5 3.2 0 !
assign  (resid 23 and name   HN)  (resid 34 and name HD1#) 5 3.2 1 !@
assign  (resid 23 and name  HB#)  (resid 34 and name HD1#) 5 3.2 2 !

assign  (resid 24 and name   HN)  (resid 24 and name   HA) 3 1.2 0 !
assign  (resid 24 and name   HN)  (resid 24 and name  HB#) 3 1.2 0.6
assign  (resid 24 and name   HN)  (resid 25 and name   HN) 3 1.2 0 !
assign  (resid 24 and name   HA)  (resid 25 and name   HN) 4 2.2 0 !@
assign  (resid 24 and name   HN)  (resid 25 and name  HB#) 5 3.2 1 !
assign  (resid 24 and name  HB#)  (resid 25 and name   HN) 3 1.2 1 !
assign  (resid 24 and name   HN)  (resid 26 and name   HN) 5 3.2 0 !@
assign  (resid  24   and name   HA)  (resid  27   and name   HN) 5 3.2 0 !
assign  (resid  24   and name   HA)  (resid  27   and name  HB#) 4 2.2 1 !
assign  (resid 24 and name   HA)  (resid 28 and name   HN) 5 3.2 0 !@
assign  (resid 24 and name   HA)  (resid 34 and name HD1#) 3       1.2 1 !
assign  (resid 24 and name   HN)  (resid 34 and name HD1#) 4 2.2 1 !
assign  (resid 24 and name   HN)  (resid 34 and name HG1#) 5 3.2 1 !@

assign  (resid 25 and name   HN)  (resid 25 and name   HA) 3 1.2 0 !
assign  (resid 25 and name   HN)  (resid 25 and name  HB2) 3 1.2 0 !
assign  (resid 25 and name   HA)  (resid 25 and name HD1#) 3 1.2 1 !
assign  (resid 25 and name   HA)  (resid 25 and name HD2#) 3 1.2 1 !
assign  (resid 25 and name   HN)  (resid 25 and name  HB1) 3 1.2 0 !
assign  (resid 25 and name   HN)  (resid 25 and name   HG) 4 2.2 0 !
assign  (resid 25 and name   HN)  (resid 26 and name   HN) 4 2.2 0 !
assign  (resid 25 and name   HA)  (resid 26 and name   HN) 5 3.2 0 !
assign  (resid 25 and name   HG)  (resid 26 and name   HN) 5 3.2 0 !@
assign  (resid 25 and name  HB1)  (resid 26 and name   HN) 4 2.2 0 !
assign  (resid 25 and name  HB2)  (resid 26 and name   HN) 4 2.2 0 !
assign  (resid 25 and name HD1#)  (resid 26 and name   HN) 5 3.2 1 !
assign  (resid 25 and name HD2#)  (resid 26 and name   HN) 5 3.2 1 !
assign  (resid 25 and name   HN)  (resid 26 and name  HB#) 5 3.2 1 !@
assign  (resid 25 and name   HN)  (resid 27 and name   HN) 5 3.2 0 !@
assign  (resid 25 and name   HA)  (resid 27 and name   HN) 5 3.2 0 !@
assign  (resid 25 and name   HN)  (resid 28 and name   HN) 5 3.2 0 !@
assign  (resid 25 and name   HA)  (resid 28 and name   HN) 5 3.2 0 !@
assign  (resid 25 and name   HA)  (resid 28 and name   HB) 5 3.2 0 !
assign  (resid 25 and name   HA)  (resid 29 and name   HN) 5 3.2 0 !@
assign  (resid 25 and name   HN)  (resid 34 and name HD1#) 5 3.2 1 !@

assign  (resid 26 and name   HN)  (resid 26 and name   HA) 3 1.2 0 !
assign  (resid 26 and name   HN)  (resid 26 and name  HB1) 4 2.2 0 !
assign  (resid 26 and name   HN)  (resid 26 and name  HB2) 4 2.2 0 !
assign  (resid 26 and name   HN)  (resid 27 and name   HN) 4 2.2 0 !
assign  (resid 26 and name   HA)  (resid 27 and name   HN) 5 3.2 0 !
assign  (resid 26 and name  HB1)  (resid 27 and name   HN) 5 3.2 0 !
assign  (resid 26 and name  HB2)  (resid 27 and name   HN) 5 3.2 0 !
assign  (resid 26 and name   HN)  (resid 27 and name  HB#) 5 3.2 1 !
assign  (resid 26 and name   HA)  (resid 29 and name   HN) 4 2.2 0 !
assign  (resid 26 and name   HA)  (resid 29 and name  HB#) 5 3.2 1 !
assign  (resid 26 and name   HN)  (resid 34 and name HD1#) 5 3.2 1 !@

assign  (resid 27 and name   HN)  (resid 27 and name  HA) 3 1.2 0 !
assign  (resid 27 and name   HN)  (resid 27 and name  HB#) 3 1.2 0.6 !
assign  (resid 27 and name   HN)  (resid 28 and name HG2#) 5 3.2 1 !@
assign  (resid 27 and name   HN)  (resid 28 and name   HN) 4 2.2 0 !
assign  (resid 27 and name   HA)  (resid 28 and name   HN) 3 1.2 0 !
assign  (resid 27 and name  HB#)  (resid 28 and name   HN) 3 1.2 1 !
assign  (resid 27   and name   HA)  (resid  29   and name   HN) 5 3.2 0 !@
assign  (resid 27 and name   HA)  (resid 30 and name   HN) 4       2.2 0
assign  (resid 27 and name   HA)  (resid 30 and name   HB) 4       2.2 0 !
assign  (resid 27 and name  HB#)  (resid 32 and name   HN) 5 3.2 1 !
assign  (resid 27 and name  HB#)  (resid 32 and name  HB1) 5 3.2 1 !
assign  (resid 27 and name  HB#)  (resid 32 and name  HB2) 5 3.2 1 !
assign  (resid 27 and name   HA)  (resid 32 and name  HB2) 5 3.2 0 !
assign  (resid 27 and name   HA)  (resid 32 and name  HB1) 5 3.2 0 !
assign  (resid 27 and name   HA)  (resid 33 and name   HA) 5       3.2 0 !@
assign  (resid 27 and name  HB#)  (resid 33 and name   HA) 5 3.2 1 
assign  (resid 27 and name   HN)  (resid 34 and name HG1#) 5 3.2 1 !@
assign  (resid 27 and name   HN)  (resid 34 and name HD1#) 5 3.2 1 !
assign  (resid 27 and name  HB#)  (resid 34 and name HD1#) 5 3.2 2 !

assign  (resid 28 and name   HN)  (resid 28 and name   HA) 3 1.2 0 !
assign  (resid 28 and name   HN)  (resid 28 and name HG2#) 4 2.2 1 !
assign  (resid 28 and name   HN)  (resid 28 and name   HB) 3 1.2 0 !
assign  (resid 28 and name   HA)  (resid 28 and name HG2#) 3 1.2 0.6
assign  (resid 28 and name HG2#)  (resid 29 and name   HN) 4 2.2 1 !
assign  (resid 28 and name   HN)  (resid 29 and name   HN) 4 2.2 0 !
assign  (resid 28 and name   HA)  (resid 29 and name   HN) 4 2.2 0 !
assign  (resid 28 and name   HB)  (resid 29 and name   HN) 3 1.2 0 !
assign  (resid 28 and name HG2#)  (resid 29 and name   HA) 5 3.2 1 !@
assign  (resid 28 and name   HN)  (resid 29 and name  HD#) 5 3.2 2.4 !@
assign  (resid 28 and name HG2#)  (resid 30 and name   HN) 5 3.2 1 !@
assign  (resid 28 and name   HA)  (resid 31 and name   HN) 5 3.2 0 !@
assign  (resid 28 and name HG2#)  (resid 31 and name   HN) 5 3.2 1 !@
assign  (resid 28 and name   HN)  (resid 34 and name HD1#) 5 3.2 1 !@

assign  (resid 29 and name   HN)  (resid 29 and name   HA) 3 1.2 0 !
assign  (resid 29 and name   HN)  (resid 29 and name  HD1) 5 3.2 0 !
assign  (resid 29 and name   HN)  (resid 29 and name  HD2) 5 3.2 0 !
assign  (resid 29 and name   HN)  (resid 29 and name  HB1) 3 1.2 0 !
assign  (resid 29 and name   HN)  (resid 29 and name  HB2) 3 1.2 0 !
assign  (resid  29   and name   HA)  (resid  29   and name  HD#) 3 1.2 2.4 !
assign  (resid  29   and name  HB#)  (resid  29   and name  HD#) 4 2.2 3.4 !
assign  (resid 29 and name   HN)  (resid 30 and name HG2#) 4 2.2 1 !
assign  (resid 29 and name  HD1)  (resid 30 and name   HN) 5 3.2 0 !@
assign  (resid 29 and name  HD2)  (resid 30 and name   HN) 5 3.2 0 !@
assign  (resid 29 and name   HN)  (resid 30 and name   HN) 4 2.2 0 !
assign  (resid 29 and name   HA)  (resid 30 and name   HN) 4 2.2 0 !@
assign  (resid 29 and name  HB2)  (resid 30 and name   HN) 4 2.2 0 !
assign  (resid 29 and name  HB1)  (resid 30 and name   HN) 4 2.2 0 !
assign  (resid 29 and name   HN)  (resid 31 and name   HN) 5 3.2 0 !@

assign  (resid 30 and name   HN)  (resid 30 and name   HA) 3 1.2 0 !
assign  (resid 30 and name   HN)  (resid 30 and name   HB) 3 1.2 0 !
assign  (resid 30 and name   HA)  (resid 30 and name HG2#) 3 1.2 0.6
assign  (resid 30 and name   HN)  (resid 30 and name HG2#) 3 1.2 1 !
assign  (resid 30 and name   HN)  (resid 31 and name   HN) 3 1.2 0 !
assign  (resid 30 and name   HA)  (resid 31 and name   HN) 4 2.2 0 !
assign  (resid 30 and name   HB)  (resid 31 and name   HN) 5 3.2 0 !@
assign  (resid 30 and name HG2#)  (resid 31 and name   HN) 5 3.2 1 !
assign  (resid 30 and name   HB)  (resid 32 and name   HN) 5 3.2 0 !@
assign  (resid 30 and name HG2#)  (resid 32 and name   HN) 5 3.2 1 !@
assign  (resid 30 and name   HA)  (resid 32 and name   HN) 5 3.2 0 !@

assign  (resid 31 and name   HN)  (resid 31 and name  HA1) 3 1.2 0 !
assign  (resid 31 and name   HN)  (resid 31 and name  HA2) 3 1.2 0 !
assign  (resid 31 and name   HN)  (resid 32 and name   HN) 3 1.2 0 !
assign  (resid 31 and name  HA1)  (resid 32 and name   HN) 4 2.2 0 !
assign  (resid 31 and name  HA2)  (resid 32 and name   HN) 4 2.2 0 !

assign  (resid 32 and name   HN)  (resid 32 and name   HA) 3 1.2 0 !
assign  (resid 32 and name   HN)  (resid 32 and name  HB2) 4 2.2 0 !
assign  (resid 32 and name   HN)  (resid 32 and name  HB1) 4 2.2 0 !
assign  (resid 32 and name   HA)  (resid 33 and name   HN) 4 2.2 0 !
assign  (resid 32 and name   HN)  (resid 33 and name   HN) 5 3.2 0 !@
assign  (resid 32 and name   HN)  (resid 33 and name HG2#) 5 3.2 1 !@
assign  (resid 32 and name   HA)  (resid 33 and name HG2#) 5 3.2 1 !@
assign  (resid 32 and name  HB1)  (resid 33 and name   HN) 4 2.2 0 !
assign  (resid 32 and name  HB2)  (resid 33 and name   HN) 4 2.2 0 !

assign  (resid 33 and name   HN)  (resid 33 and name   HA) 3 1.2 0 !
assign  (resid 33 and name   HN)  (resid 33 and name   HB) 4 2.2 0 !
assign  (resid 33 and name   HN)  (resid 33 and name HG1#) 4 2.2 1 !
assign  (resid 33 and name   HN)  (resid 33 and name HG2#) 3 1.2 1 !
assign  (resid 33 and name   HN)  (resid 33 and name HD1#) 5 3.2 1 !
assign  (resid 33 and name   HA)  (resid 33 and name HG2#) 3 1.2 0.6 !
assign  (resid 33 and name   HA)  (resid 33 and name HD1#) 4 2.2 1 !
assign  (resid 33 and name   HA)  (resid 34 and name   HN) 3 1.2 0 !
assign  (resid 33 and name   HN)  (resid 34 and name   HN) 5 3.2 0 !@
assign  (resid 33 and name   HB)  (resid 34 and name   HN) 3 1.2 0 !
assign  (resid 33 and name HG2#)  (resid 34 and name   HN) 4 2.2 1 !
assign  (resid 33 and name HG1#)  (resid 34 and name   HN) 5 3.2 1 !
assign  (resid 33 and name   HN)  (resid 44 and name  HD#) 5 3.2 2.4 !
assign  (resid 33 and name HG2#)  (resid 44 and name  HE#) 4 2.2 3.4 !
assign  (resid 33 and name HD1#)  (resid 44 and name  HD#) 5 3.2 3.4 !
assign  (resid 33 and name HD1#)  (resid 44 and name  HE#) 5 3.2 3.4 !

assign  (resid 34 and name   HN)  (resid 34 and name   HA) 3 1.2 0 !
assign  (resid 34 and name   HN)  (resid 34 and name HG12) 4 2.2 0 !
assign  (resid 34 and name   HN)  (resid 34 and name HG11) 4 2.2 0 !
assign  (resid 34 and name   HN)  (resid 34 and name HD1#) 5 3.2 1 !
assign  (resid 34 and name   HN)  (resid 34 and name   HB) 3 1.2 0 !
assign  (resid 34 and name   HN)  (resid 34 and name HG2#) 5 3.2 1 !
assign  (resid 34 and name   HA)  (resid 34 and name HG2#) 3 1.2 0.6
assign  (resid 34 and name   HA)  (resid 34 and name HD1#) 4 2.2 1 !
assign  (resid 34 and name   HA)  (resid 35 and name   HN) 4 2.2 0 !
assign  (resid 34 and name   HB)  (resid 35 and name   HN) 5 3.2 0 !
assign  (resid 34 and name   HN)  (resid 35 and name   HN) 5 3.2 0 !@
assign  (resid 34 and name HG2#)  (resid 35 and name   HN) 4 2.2 1 !
assign  (resid  34   and name HG11)  (resid 35   and name   HN) 5 3.2 0 !
assign  (resid  34   and name HG12)  (resid 35   and name   HN) 5 3.2 0 !

assign  (resid 35 and name   HN)  (resid 35 and name   HA) 3 1.2 0 !
assign  (resid 35 and name   HN)  (resid 35 and name   HB) 5 3.2 0 !
assign  (resid 35 and name   HN)  (resid 35 and name HG1#) 4 2.2 1 !
assign  (resid 35 and name   HN)  (resid 35 and name HG2#) 4 2.2 1 !
assign  (resid 35 and name   HA)  (resid 35 and name HG2#) 4 2.2 0.6 !
assign  (resid 35 and name   HN)  (resid 35 and name HD1#) 5 3.2 1 !
assign  (resid  35   and name   HN)  (resid  36   and name  HD1) 5 3.2 0 !@
assign  (resid  35   and name   HN)  (resid  36   and name  HD2) 5 3.2 0 !@
assign  (resid 35 and name   HA)  (resid 36 and name  HD#) 4 2.2 1 !
assign  (resid 35 and name   HB)  (resid 36 and name  HD#) 3 1.2 1 !
assign  (resid 35 and name HG2#)  (resid 36 and name  HD#) 4 2.2 2 !
assign  (resid 35 and name   HA)  (resid 37 and name   HN) 5 3.2 0 !@
assign  (resid 35 and name   HB)  (resid 37 and name   HN) 5 3.2 0 !
assign  (resid 35 and name HG1#)  (resid 37 and name   HN) 4 2.2 1 !
assign  (resid 35 and name HD1#)  (resid 37 and name   HN) 5 3.2 1 !
assign  (resid 35 and name HD1#)  (resid 38 and name   HN) 5 3.2 1 !
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assign  (resid 35 and name HG1#)  (resid 40 and name   HN) 5 3.2 1 !@
assign  (resid 35 and name HD1#)  (resid 40 and name   HN) 5 3.2 1 !@
assign  (resid 35 and name HD1#)  (resid 40 and name   HA) 4 2.2 1 !4
assign  (resid 35 and name HD1#)  (resid 41 and name  HD#) 5 3.2 2 !

assign  (resid 36 and name   HA)  (resid 37 and name   HN) 5 3.2 0 !
assign  (resid 36 and name  HB2)  (resid 37 and name   HN) 5 3.2 0 !
assign  (resid  36   and name  HB1)  (resid  37   and name   HN) 5 3.2 0 !
assign  (resid 36 and name  HD1)  (resid 37 and name   HN) 5 3.2 0 !
assign  (resid 36 and name  HD2)  (resid 37 and name   HN) 5 3.2 0 !

assign  (resid 37 and name   HN)  (resid 37 and name  HA1) 3 1.2 0 !
assign  (resid 37 and name   HN)  (resid 37 and name  HA2) 3 1.2 0 !
assign  (resid 37 and name  HA1)  (resid 38 and name   HN) 3 1.2 0 !
assign  (resid 37 and name  HA2)  (resid 38 and name   HN) 3 1.2 0 !
assign  (resid 37 and name   HN)  (resid 38 and name   HN) 4 2.2 0 !
assign  (resid 37   and name  HA1)  (resid  38   and name  HB#) 5 3.2 1 !@
assign  (resid 37   and name  HA2)  (resid  38   and name  HB#) 5 3.2 1 !@
assign  (resid 37   and name  HA#)  (resid  39   and name   HN) 5 3.2 1 !@

assign  (resid 38 and name   HN)  (resid 38 and name   HA) 3 1.2 0 !
assign  (resid 38 and name   HN)  (resid 38 and name  HB#) 3 1.2 0.6 !
assign  (resid 38 and name   HN)  (resid 39 and name   HN) 3 1.2 0 !
assign  (resid 38 and name   HA)  (resid 39 and name   HN) 4 2.2 0 !
assign  (resid 38 and name  HB#)  (resid 39 and name   HN) 3 1.2 1 !
assign  (resid  38   and name   HA)  (resid  40   and name   HN) 5 3.2 0 !@

assign  (resid 39 and name   HN)  (resid 39 and name   HA) 3 1.2 0 !
assign  (resid 39 and name   HN)  (resid 39 and name   HB) 3 1.2 0 !
assign  (resid 39 and name   HN)  (resid 39 and name HG2#) 4 2.2 1 !
assign  (resid 39 and name   HA)  (resid 39 and name HG2#) 3 1.2 0.6 !
assign  (resid 39 and name   HB)  (resid 40 and name   HN) 4 2.2 0 !
assign  (resid 39 and name HG2#)  (resid 40 and name   HN) 3 1.2 1 !
assign  (resid 39 and name   HN)  (resid 40 and name   HN) 5 3.2 0 !@
assign  (resid 39 and name   HA)  (resid 40 and name   HN) 3 1.2 0 !

assign  (resid 40 and name   HN)  (resid 40 and name   HA) 3 1.2 0 !
assign  (resid 40 and name   HN)  (resid 40 and name  HB2) 4 2.2 0 !
assign  (resid 40 and name   HN)  (resid 40 and name  HB1) 4 2.2 0 !
assign  (resid 40 and name   HN)  (resid 41 and name  HD1) 5 3.2 0 !@
assign  (resid  40   and name   HN)  (resid  41  and name  HD2) 5 3.2 0 !@
assign  (resid 40 and name   HA)  (resid 41 and name  HG#) 5 3.2 1 !
assign  (resid 40 and name   HA)  (resid 41 and name  HD2) 4 2.2 0 !
assign  (resid 40 and name   HA)  (resid 41 and name  HD1) 4 2.2 0 !
assign  (resid 40 and name  HB#)  (resid 44 and name   HN) 5 3.2 1 !@

assign  (resid 41 and name   HA)  (resid 42 and name   HN) 3 1.2 0 !
assign  (resid 41 and name  HB1)  (resid 42 and name   HN) 4 2.2 0 !
assign  (resid 41 and name  HB2)  (resid 42 and name   HN) 4 2.2 0 !
assign  (resid 41 and name  HB#)  (resid 43 and name   HN) 4 2.2 1 !
assign  (resid 41 and name  HG#)  (resid 43 and name   HN) 5 3.2 1 !
assign  (resid 41 and name  HG#)  (resid 44 and name   HN) 5 3.2 1 !
assign  (resid 41 and name  HD#)  (resid 45 and name   HN) 5 3.2 1 !@
assign  (resid 41 and name  HG#)  (resid 45 and name   HN) 5 3.2 0 !@

assign  (resid 42 and name   HN)  (resid 42 and name  HA1) 3 1.2 0 !
assign  (resid 42 and name   HN)  (resid 42 and name  HA2) 3 1.2 0 !
assign  (resid 42 and name   HN)  (resid 43 and name   HN) 3 1.2 0 !@
assign  (resid 42 and name  HA2)  (resid 43 and name   HN) 4 2.2 0 !
assign  (resid  42   and name  HA1)  (resid  43   and name   HN) 4 2.2 0 !
assign  (resid 42 and name   HN)  (resid 43 and name  HB#) 5 3.2 1 !@
assign  (resid  42   and name  HA1)  (resid  44   and name   HN) 5 3.2 0 !
assign  (resid 42 and name   HN)  (resid 44 and name   HN) 5 3.2 0 !@
assign  (resid 42 and name  HA2)  (resid 44 and name   HN) 5 3.2 0 !
assign  (resid 42 and name   HN)  (resid 45 and name  HB#) 5 3.2 1 !@
assign  (resid 42 and name  HA1)  (resid 45 and name   HN) 5 3.2 0 !@
assign  (resid 42 and name  HA2)  (resid 45 and name   HN) 5 3.2 0 !@
assign  (resid 42 and name  HA1)  (resid 45 and name  HB#) 5 3.2 1 !
assign  (resid 42 and name  HA2)  (resid 45 and name  HB#) 5 3.2 1 !

assign  (resid 43 and name   HN)  (resid 43 and name   HA) 3 1.2 0 !
assign  (resid 43 and name   HN)  (resid 43 and name  HB#) 3 1.2 1 !
assign  (resid 43 and name   HN)  (resid 44 and name   HN) 3 1.2 0 !
assign  (resid 43 and name   HN)  (resid 44 and name  HD1) 5 3.2 0 !@
assign  (resid 43 and name   HN)  (resid 44 and name  HD2) 5 3.2 0 !@
assign  (resid 43 and name   HA)  (resid 44 and name   HN) 4 2.2 0 !
assign  (resid 43 and name  HB#)  (resid 44 and name   HN) 5 2.2 1 !@
assign  (resid 43 and name   HN)  (resid 45 and name  HB#) 5 3.2 1 !@
assign  (resid 43 and name   HN)  (resid 45 and name   HN) 5 3.2 0 !@
assign  (resid 43 and name   HA)  (resid 45 and name   HN) 4 2.2 0 !@

assign  (resid 44 and name   HN)  (resid 44 and name   HA) 3 1.2 0 !
assign  (resid 44 and name   HN)  (resid 44 and name  HD1) 5 3.2 0 !
assign  (resid 44 and name   HN)  (resid 44 and name  HD2) 5 3.2 0 !
assign  (resid 44 and name   HN)  (resid 44 and name  HB2) 4 2.2 0 !
assign  (resid 44 and name   HN)  (resid 44 and name  HB1) 4 2.2 0 !
assign  (resid 44 and name   HN)  (resid 45 and name   HN) 4 2.2 0 !
assign  (resid  44   and name   HA)  (resid  45   and name   HN) 4 2.2 0 !
assign  (resid 44 and name   HN)  (resid 45 and name  HB#) 5 3.2 1 !
assign  (resid 44 and name  HB2)  (resid 45 and name   HN) 5 3.2 0 !@
assign  (resid 44 and name  HB1)  (resid 45 and name   HN) 5 3.2 0 !@
assign  (resid 44 and name  HD#)  (resid 45 and name   HN) 5 3.2 2.4 !@
assign  (resid 44   and name   HA)  (resid  46   and name   HN) 5 3.2 0 !@

assign  (resid 45 and name   HN)  (resid 45 and name   HA) 3 1.2 0 !
assign  (resid 45 and name   HN)  (resid 45 and name  HB#) 3 1.2 0.6 !
assign  (resid 45 and name  HB#)  (resid 46 and name   HN) 4 2.2 1 !
assign  (resid 45 and name   HN)  (resid 46 and name   HN) 3 1.2 0 !
assign  (resid 45 and name   HN)  (resid 46 and name  HB#) 5 3.2 0 !@
assign  (resid 45 and name   HA)  (resid 46 and name   HN) 3 1.2 0 !

assign  (resid 46 and name   HN)  (resid 46 and name   HA) 3 1.2 0 !
assign  (resid 46 and name   HN)  (resid 46 and name HD2#) 4 2.2 1 !
assign  (resid 46 and name   HN)  (resid 46 and name  HB2) 4 2.2 0 !
assign  (resid 46 and name   HN)  (resid 46 and name  HB1) 4 2.2 0 !



!!Hydrogen bond
assign (resid    3 and  name HN   ) (resid   33 and  name O    ) 2.3 0.8 0.2
assign (resid    3 and  name N    ) (resid   33 and  name O    ) 3.3 0.8 0.2
assign (resid   33 and  name HN   ) (resid    3 and  name O    ) 2.3 0.8 0.2
assign (resid   33 and  name N    ) (resid    3 and  name O    ) 3.3 0.8 0.2
assign (resid   35 and  name HN   ) (resid    1 and  name O    ) 2.3 0.8 0.2
assign (resid   35 and  name N    ) (resid    1 and  name O    ) 3.3 0.8 0.2

assign (resid    4 and  name HN   ) (resid   46 and  name OT2    ) 2.3 0.8 0.2
assign (resid    4 and  name N    ) (resid   46 and  name OT2    ) 3.3 0.8 0.2
assign (resid   46 and  name HN   ) (resid    4 and  name O    ) 2.3 0.8 0.2
assign (resid   46 and  name N    ) (resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid   10 and  name HE   ) (resid   46 and  name OT1    ) 2.3 0.8 0.2
assign (resid   10 and  name NE    ) (resid  46 and  name OT1    ) 3.3 0.8 0.2

assign (resid   10 and  name HN   ) (resid    6 and  name O    ) 2.3 0.8 0.2
assign (resid   10 and  name N    ) (resid    6 and  name O    ) 3.3 0.8 0.2
assign (resid   11 and  name HN   ) (resid    7 and  name O    ) 2.3 0.8 0.2
assign (resid   11 and  name N    ) (resid    7 and  name O    ) 3.3 0.8 0.2
assign (resid   12 and  name HN   ) (resid    8 and  name O    ) 2.3 0.8 0.2
assign (resid   12 and  name N    ) (resid    8 and  name O    ) 3.3 0.8 0.2
assign (resid   13 and  name HN   ) (resid    9 and  name O    ) 2.3 0.8 0.2
assign (resid   13 and  name N    ) (resid    9 and  name O    ) 3.3 0.8 0.2
assign (resid   14 and  name HN   ) (resid   10 and  name O    ) 2.3 0.8 0.2
assign (resid   14 and  name N    ) (resid   10 and  name O    ) 3.3 0.8 0.2
assign (resid   15 and  name HN   ) (resid   11 and  name O    ) 2.3 0.8 0.2
assign (resid   15 and  name N    ) (resid   11 and  name O    ) 3.3 0.8 0.2
assign (resid   16 and  name HN   ) (resid   12 and  name O    ) 2.3 0.8 0.2
assign (resid   16 and  name N    ) (resid   12 and  name O    ) 3.3 0.8 0.2
assign (resid   17 and  name HN   ) (resid   13 and  name O    ) 2.3 0.8 0.2
assign (resid   17 and  name N    ) (resid   13 and  name O    ) 3.3 0.8 0.2

assign (resid   26 and  name HN   ) (resid   22 and  name O    ) 2.3 0.8 0.2
assign (resid   26 and  name N    ) (resid   22 and  name O    ) 3.3 0.8 0.2
assign (resid   27 and  name HN   ) (resid   23 and  name O    ) 2.3 0.8 0.2
assign (resid   27 and  name N    ) (resid   23 and  name O    ) 3.3 0.8 0.2
assign (resid   28 and  name HN   ) (resid   24 and  name O    ) 2.3 0.8 0.2
assign (resid   28 and  name N    ) (resid   24 and  name O    ) 3.3 0.8 0.2
assign (resid   29 and  name HN   ) (resid   25 and  name O    ) 2.3 0.8 0.2
assign (resid   29 and  name N    ) (resid   25 and  name O    ) 3.3 0.8 0.2
assign (resid   30 and  name HN   ) (resid   26 and  name O    ) 2.3 0.8 0.2
assign (resid   30 and  name N    ) (resid   26 and  name O    ) 3.3 0.8 0.2
assign (resid   31 and  name HN   ) (resid   27 and  name O    ) 2.3 0.8 0.2
assign (resid   31 and  name N    ) (resid   27 and  name O    ) 3.3 0.8 0.2



crambin_dpc_dis

set message=off echo=off end
restraints dihedral reset
!!
! phi residue      2
 assign (resid    1 and name C)  (resid    2 and name N)
       (resid    2 and name CA) (resid    2 and name C) 1.0 -103.0   35.0 2
! psi residue      2
 assign (resid    2 and name N)  (resid    2 and name CA)
       (resid    2 and name C)  (resid    3 and name N) 1.0  137.0   40.0 2
! phi residue      8
 assign (resid    7 and name C)  (resid    8 and name N)
       (resid    8 and name CA) (resid    8 and name C) 1.0  -66.6   35.0 2
! psi residue      8
 assign (resid    8 and name N)  (resid    8 and name CA)
       (resid    8 and name C)  (resid    9 and name N) 1.0  -41.9   40.0 2
! phi residue      9
 assign (resid    8 and name C)  (resid    9 and name N)
       (resid    9 and name CA) (resid    9 and name C) 1.0  -64.7   35.0 2
! psi residue      9
 assign (resid    9 and name N)  (resid    9 and name CA)
       (resid    9 and name C)  (resid   10 and name N) 1.0  -41.3   40.0 2
! phi residue     10
 assign (resid    9 and name C)  (resid   10 and name N)
       (resid   10 and name CA) (resid   10 and name C) 1.0  -63.4   35.0 2
! psi residue     10
 assign (resid   10 and name N)  (resid   10 and name CA)
       (resid   10 and name C)  (resid   11 and name N) 1.0  -44.7   40.0 2
! phi residue     11
 assign (resid   10 and name C)  (resid   11 and name N)
       (resid   11 and name CA) (resid   11 and name C) 1.0  -65.3   35.0 2
! psi residue     11
 assign (resid   11 and name N)  (resid   11 and name CA)
       (resid   11 and name C)  (resid   12 and name N) 1.0  -40.7   40.0 2
! phi residue     12
 assign (resid   11 and name C)  (resid   12 and name N)
       (resid   12 and name CA) (resid   12 and name C) 1.0  -64.2   35.0 2
! psi residue     12
 assign (resid   12 and name N)  (resid   12 and name CA)
       (resid   12 and name C)  (resid   13 and name N) 1.0  -43.1   40.0 2
! phi residue     13
 assign (resid   12 and name C)  (resid   13 and name N)
       (resid   13 and name CA) (resid   13 and name C) 1.0  -68.0   35.0 2
! psi residue     13
 assign (resid   13 and name N)  (resid   13 and name CA)
       (resid   13 and name C)  (resid   14 and name N) 1.0  -42.8   40.0 2
! phi residue     14
 assign (resid   13 and name C)  (resid   14 and name N)
       (resid   14 and name CA) (resid   14 and name C) 1.0  -63.1   35.0 2
! psi residue     14
 assign (resid   14 and name N)  (resid   14 and name CA)
       (resid   14 and name C)  (resid   15 and name N) 1.0  -37.8   40.0 2
! phi residue     15
 assign (resid   14 and name C)  (resid   15 and name N)
       (resid   15 and name CA) (resid   15 and name C) 1.0  -62.8   35.0 2
! psi residue     15
 assign (resid   15 and name N)  (resid   15 and name CA)
       (resid   15 and name C)  (resid   16 and name N) 1.0  -38.8   40.0 2
! phi residue     18
 assign (resid   17 and name C)  (resid   18 and name N)
       (resid   18 and name CA) (resid   18 and name C) 1.0  -64.7   35.0 2
! psi residue     18
 assign (resid   18 and name N)  (resid   18 and name CA)
       (resid   18 and name C)  (resid   19 and name N) 1.0  -29.5   40.0 2
! phi residue     21
 assign (resid   20 and name C)  (resid   21 and name N)
       (resid   21 and name CA) (resid   21 and name C) 1.0 -101.2   35.0 2
! psi residue     21
 assign (resid   21 and name N)  (resid   21 and name CA)
       (resid   21 and name C)  (resid   22 and name N) 1.0  130.8   40.0 2
! phi residue     23
 assign (resid   22 and name C)  (resid   23 and name N)
       (resid   23 and name CA) (resid   23 and name C) 1.0  -61.7   35.0 2
! psi residue     23
 assign (resid   23 and name N)  (resid   23 and name CA)
       (resid   23 and name C)  (resid   24 and name N) 1.0  -37.7   40.0 2
! phi residue     24
 assign (resid   23 and name C)  (resid   24 and name N)
       (resid   24 and name CA) (resid   24 and name C) 1.0  -65.4   35.0 2
! psi residue     24
 assign (resid   24 and name N)  (resid   24 and name CA)
       (resid   24 and name C)  (resid   25 and name N) 1.0  -36.0   40.0 2
! phi residue     25
 assign (resid   24 and name C)  (resid   25 and name N)
       (resid   25 and name CA) (resid   25 and name C) 1.0  -67.8   35.0 2
! psi residue     25
 assign (resid   25 and name N)  (resid   25 and name CA)
       (resid   25 and name C)  (resid   26 and name N) 1.0  -27.3   40.0 2
! phi residue     27
 assign (resid   26 and name C)  (resid   27 and name N)
       (resid   27 and name CA) (resid   27 and name C) 1.0  -67.2   40.0 2
! psi residue     27
 assign (resid   27 and name N)  (resid   27 and name CA)
       (resid   27 and name C)  (resid   28 and name N) 1.0  -33.3   50.0 2
! phi residue     29
 assign (resid   28 and name C)  (resid   29 and name N)
       (resid   29 and name CA) (resid   29 and name C) 1.0  -82.0   40.0 2
! psi residue     29
 assign (resid   29 and name N)  (resid   29 and name CA)
       (resid   29 and name C)  (resid   30 and name N) 1.0  -23.9   50.0 2
! phi residue     33
 assign (resid   32 and name C)  (resid   33 and name N)
       (resid   33 and name CA) (resid   33 and name C) 1.0 -131.4   40.0 2
! psi residue     33
 assign (resid   33 and name N)  (resid   33 and name CA)
       (resid   33 and name C)  (resid   34 and name N) 1.0  159.0   50.0 2
! phi residue     34
 assign (resid   33 and name C)  (resid   34 and name N)
       (resid   34 and name CA) (resid   34 and name C) 1.0 -103.8   40.0 2
! psi residue     34
 assign (resid   34 and name N)  (resid   34 and name CA)
       (resid   34 and name C)  (resid   35 and name N) 1.0  135.6   50.0 2
end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1HT       THR   1  -8.074  -4.009   3.139
    2   2H    THR   1          2HT       THR   1  -7.418  -2.446   3.227
    3   3H    THR   1          3HT       THR   1  -8.260  -3.091   4.554
    4    HA   THR   1           HA       THR   1  -6.171  -3.527   5.301
    5    HB   THR   1           HB       THR   1  -7.042  -5.691   3.383
    6    HG1  THR   1           1HG      THR   1  -8.196  -5.241   5.344
    7   1HG2  THR   1          1HG2      THR   1  -4.495  -5.440   4.879
    8   2HG2  THR   1          2HG2      THR   1  -4.865  -6.381   3.435
    9   3HG2  THR   1          3HG2      THR   1  -5.324  -6.990   5.026
   10    H    THR   2           H        THR   2  -3.924  -3.361   4.912
   11    HA   THR   2           HA       THR   2  -3.166  -2.312   2.255
   12    HB   THR   2           HB       THR   2  -1.669  -2.659   4.874
   13    HG1  THR   2           1HG      THR   2  -2.807  -0.995   5.396
   14   1HG2  THR   2          1HG2      THR   2   0.025  -2.447   3.279
   15   2HG2  THR   2          2HG2      THR   2  -0.275  -0.766   3.720
   16   3HG2  THR   2          3HG2      THR   2  -0.956  -1.422   2.231
   17    H    CYS   3           H        CYS   3  -2.004  -3.495   0.765
   18    HA   CYS   3           HA       CYS   3  -0.654  -6.005   1.677
   19   1HB   CYS   3          2HB       CYS   3  -2.430  -5.708  -0.766
   20   2HB   CYS   3          1HB       CYS   3  -1.693  -7.197  -0.175
   21    H    CYS   4           H        CYS   4   1.407  -4.981   1.364
   22    HA   CYS   4           HA       CYS   4   2.001  -4.004  -1.398
   23   1HB   CYS   4          2HB       CYS   4   3.617  -3.765   1.154
   24   2HB   CYS   4          1HB       CYS   4   3.827  -2.835  -0.330
   25    HA   PRO   5           HA       PRO   5   4.549  -7.445  -2.304
   26   1HB   PRO   5          2HB       PRO   5   6.628  -6.266  -3.639
   27   2HB   PRO   5          1HB       PRO   5   5.005  -6.449  -4.334
   28   1HG   PRO   5          2HG       PRO   5   6.254  -4.063  -3.057
   29   2HG   PRO   5          1HG       PRO   5   5.235  -4.162  -4.503
   30   1HD   PRO   5          2HD       PRO   5   4.283  -3.365  -2.096
   31   2HD   PRO   5          1HD       PRO   5   3.286  -4.231  -3.286
   32    H    SER   6           H        SER   6   5.710  -4.977  -0.186
   33    HA   SER   6           HA       SER   6   7.323  -6.738   1.352
   34   1HB   SER   6          2HB       SER   6   8.529  -5.593  -1.089
   35   2HB   SER   6          1HB       SER   6   9.519  -5.436   0.360
   36    HG   SER   6           HG       SER   6   9.637  -7.462  -0.975
   37    H    ILE   7           H        ILE   7   9.290  -5.188   2.371
   38    HA   ILE   7           HA       ILE   7   7.921  -3.216   3.943
   39    HB   ILE   7           HB       ILE   7  10.875  -3.661   3.397
   40   1HG1  ILE   7          2HG1      ILE   7   9.420  -5.645   4.188
   41   2HG1  ILE   7          1HG1      ILE   7  10.855  -5.270   5.140
   42   1HG2  ILE   7          1HG2      ILE   7  10.443  -1.529   4.528
   43   2HG2  ILE   7          2HG2      ILE   7  11.166  -2.674   5.659
   44   3HG2  ILE   7          3HG2      ILE   7   9.434  -2.346   5.722
   45   1HD1  ILE   7          1HD1      ILE   7   8.253  -3.965   5.862
   46   2HD1  ILE   7          2HD1      ILE   7   9.622  -4.370   6.896
   47   3HD1  ILE   7          3HD1      ILE   7   8.531  -5.641   6.341
   48    H    VAL   8           H        VAL   8   9.884  -3.018   1.000
   49    HA   VAL   8           HA       VAL   8  10.420  -0.254   0.890
   50    HB   VAL   8           HB       VAL   8   9.632  -2.202  -1.303
   51   1HG1  VAL   8          1HG1      VAL   8  11.080  -0.670  -2.711
   52   2HG1  VAL   8          2HG1      VAL   8  11.049   0.476  -1.370
   53   3HG1  VAL   8          3HG1      VAL   8   9.551   0.038  -2.190
   54   1HG2  VAL   8          1HG2      VAL   8  12.237  -1.524   0.076
   55   2HG2  VAL   8          2HG2      VAL   8  12.200  -2.278  -1.518
   56   3HG2  VAL   8          3HG2      VAL   8  11.494  -3.111  -0.132
   57    H    ALA   9           H        ALA   9   7.722  -1.813  -0.874
   58    HA   ALA   9           HA       ALA   9   6.264   0.588  -1.354
   59   1HB   ALA   9          1HB       ALA   9   5.554  -1.161  -2.671
   60   2HB   ALA   9          2HB       ALA   9   4.369  -1.343  -1.377
   61   3HB   ALA   9          3HB       ALA   9   5.813  -2.354  -1.398
   62    H    ARG  10           H        ARG  10   5.531  -1.991   1.033
   63    HA   ARG  10           HA       ARG  10   3.461  -0.905   2.468
   64   1HB   ARG  10          2HB       ARG  10   4.998  -3.011   2.760
   65   2HB   ARG  10          1HB       ARG  10   5.876  -1.988   3.894
   66   1HG   ARG  10          2HG       ARG  10   4.339  -2.553   5.445
   67   2HG   ARG  10          1HG       ARG  10   3.174  -1.599   4.526
   68   1HD   ARG  10          2HD       ARG  10   2.041  -3.567   4.299
   69   2HD   ARG  10          1HD       ARG  10   3.277  -3.969   3.091
   70    HE   ARG  10           HE       ARG  10   4.550  -5.108   4.859
   71   1HH1  ARG  10          1HH2      ARG  10   1.270  -5.393   4.960
   72   2HH1  ARG  10          2HH2      ARG  10   1.150  -5.823   6.633
   73   1HH2  ARG  10          1HH1      ARG  10   4.460  -5.065   7.339
   74   2HH2  ARG  10          2HH1      ARG  10   2.956  -5.634   7.981
   75    H    SER  11           H        SER  11   6.865   0.096   2.665
   76    HA   SER  11           HA       SER  11   6.422   1.997   4.833
   77   1HB   SER  11          2HB       SER  11   8.563   0.754   4.084
   78   2HB   SER  11          1HB       SER  11   8.672   1.968   2.812
   79    HG   SER  11           HG       SER  11   9.104   2.175   5.530
   80    H    ASN  12           H        ASN  12   6.569   2.136   1.294
   81    HA   ASN  12           HA       ASN  12   6.505   5.010   1.047
   82   1HB   ASN  12          2HB       ASN  12   5.578   2.796  -0.809
   83   2HB   ASN  12          1HB       ASN  12   5.971   4.447  -1.292
   84   1HD2  ASN  12          1HD2      ASN  12   7.341   1.912  -2.128
   85   2HD2  ASN  12          2HD2      ASN  12   8.959   2.092  -1.663
   86    H    PHE  13           H        PHE  13   3.913   2.637   0.309
   87    HA   PHE  13           HA       PHE  13   1.752   4.375   0.061
   88   1HB   PHE  13          2HB       PHE  13   1.438   2.072  -0.381
   89   2HB   PHE  13          1HB       PHE  13   2.099   1.593   1.180
   90    HD1  PHE  13           1HD      PHE  13   0.159   0.224   1.774
   91    HD2  PHE  13           2HD      PHE  13  -0.266   4.399   0.860
   92    HE1  PHE  13           1HE      PHE  13  -2.125   0.205   2.740
   93    HE2  PHE  13           2HE      PHE  13  -2.548   4.380   1.830
   94    HZ   PHE  13           HZ       PHE  13  -3.477   2.282   2.769
   95    H    ASN  14           H        ASN  14   3.311   3.212   3.005
   96    HA   ASN  14           HA       ASN  14   1.338   4.400   4.812
   97   1HB   ASN  14          2HB       ASN  14   3.887   2.881   4.918
   98   2HB   ASN  14          1HB       ASN  14   3.550   3.903   6.315
   99   1HD2  ASN  14          1HD2      ASN  14   3.459   0.902   6.155
  100   2HD2  ASN  14          2HD2      ASN  14   1.880   0.473   6.605
  101    H    VAL  15           H        VAL  15   4.010   5.556   3.020
  102    HA   VAL  15           HA       VAL  15   4.522   7.846   4.836
  103    HB   VAL  15           HB       VAL  15   5.940   6.213   2.951
  104   1HG1  VAL  15          1HG1      VAL  15   5.653   7.753   1.173
  105   2HG1  VAL  15          2HG1      VAL  15   7.224   8.165   1.864
  106   3HG1  VAL  15          3HG1      VAL  15   5.809   9.145   2.245
  107   1HG2  VAL  15          1HG2      VAL  15   7.204   8.552   4.287
  108   2HG2  VAL  15          2HG2      VAL  15   7.736   6.872   4.215
  109   3HG2  VAL  15          3HG2      VAL  15   6.435   7.339   5.311
  110    H    CYS  16           H        CYS  16   2.791   7.033   1.955
  111    HA   CYS  16           HA       CYS  16   2.595   9.832   1.013
  112   1HB   CYS  16          2HB       CYS  16   2.829   8.254  -0.709
  113   2HB   CYS  16          1HB       CYS  16   1.774   7.089   0.085
  114    H    ARG  17           H        ARG  17   0.724   7.545   2.883
  115    HA   ARG  17           HA       ARG  17  -1.787   9.076   2.615
  116   1HB   ARG  17          2HB       ARG  17  -1.906   6.667   2.684
  117   2HB   ARG  17          1HB       ARG  17  -0.882   6.600   4.117
  118   1HG   ARG  17          2HG       ARG  17  -3.131   6.274   4.876
  119   2HG   ARG  17          1HG       ARG  17  -2.688   7.918   5.329
  120   1HD   ARG  17          2HD       ARG  17  -3.891   8.830   3.418
  121   2HD   ARG  17          1HD       ARG  17  -4.227   7.196   2.810
  122    HE   ARG  17           HE       ARG  17  -5.160   7.191   5.443
  123   1HH1  ARG  17          1HH1      ARG  17  -6.631   7.178   2.628
  124   2HH1  ARG  17          2HH1      ARG  17  -7.869   8.339   2.969
  125   1HH2  ARG  17          1HH2      ARG  17  -6.369   9.484   5.875
  126   2HH2  ARG  17          2HH2      ARG  17  -7.723   9.642   4.808
  127    H    LEU  18           H        LEU  18   1.038   9.223   4.463
  128    HA   LEU  18           HA       LEU  18   0.146   9.879   7.069
  129   1HB   LEU  18          2HB       LEU  18   2.499   9.825   5.451
  130   2HB   LEU  18          1HB       LEU  18   2.451  11.370   6.286
  131    HG   LEU  18           HG       LEU  18   2.183   8.646   7.581
  132   1HD1  LEU  18          1HD1      LEU  18   4.481   9.666   6.695
  133   2HD1  LEU  18          2HD1      LEU  18   4.391   8.828   8.245
  134   3HD1  LEU  18          3HD1      LEU  18   4.372  10.591   8.193
  135   1HD2  LEU  18          1HD2      LEU  18   1.207   9.770   9.277
  136   2HD2  LEU  18          2HD2      LEU  18   1.444  11.310   8.454
  137   3HD2  LEU  18          3HD2      LEU  18   2.716  10.657   9.487
  138    HA   PRO  19           HA       PRO  19   0.089  14.407   5.533
  139   1HB   PRO  19          2HB       PRO  19  -0.018  14.851   2.837
  140   2HB   PRO  19          1HB       PRO  19   1.500  14.750   3.749
  141   1HG   PRO  19          2HG       PRO  19   0.203  12.731   2.010
  142   2HG   PRO  19          1HG       PRO  19   1.920  13.067   2.270
  143   1HD   PRO  19          2HD       PRO  19   0.545  10.972   3.399
  144   2HD   PRO  19          1HD       PRO  19   2.049  11.655   4.049
  145    H    GLY  20           H        GLY  20  -1.493  13.147   2.612
  146   1HA   GLY  20          2HA       GLY  20  -4.108  12.979   3.836
  147   2HA   GLY  20          1HA       GLY  20  -3.917  14.487   2.939
  148    H    THR  21           H        THR  21  -2.234  11.611   1.880
  149    HA   THR  21           HA       THR  21  -3.739  11.703  -0.630
  150    HB   THR  21           HB       THR  21  -1.525   9.813   0.130
  151    HG1  THR  21           1HG      THR  21  -1.176  12.421  -0.927
  152   1HG2  THR  21          1HG2      THR  21  -1.009  10.238  -2.350
  153   2HG2  THR  21          2HG2      THR  21  -2.576  11.035  -2.424
  154   3HG2  THR  21          3HG2      THR  21  -2.476   9.328  -1.991
  155    HA   PRO  22           HA       PRO  22  -6.172   8.219   0.522
  156   1HB   PRO  22          2HB       PRO  22  -7.056   7.618  -1.997
  157   2HB   PRO  22          1HB       PRO  22  -7.691   8.973  -1.048
  158   1HG   PRO  22          2HG       PRO  22  -5.724   8.984  -3.277
  159   2HG   PRO  22          1HG       PRO  22  -6.984  10.164  -2.878
  160   1HD   PRO  22          2HD       PRO  22  -4.314  10.504  -2.282
  161   2HD   PRO  22          1HD       PRO  22  -5.633  11.285  -1.399
  162    H    GLU  23           H        GLU  23  -5.267   6.291   0.923
  163    HA   GLU  23           HA       GLU  23  -2.933   5.144   0.170
  164   1HB   GLU  23          2HB       GLU  23  -4.178   2.919   0.423
  165   2HB   GLU  23          1HB       GLU  23  -4.385   4.073   1.742
  166   1HG   GLU  23          2HG       GLU  23  -6.576   4.526   1.190
  167   2HG   GLU  23          1HG       GLU  23  -6.314   4.223  -0.529
  168    H    ALA  24           H        ALA  24  -5.771   5.360  -1.920
  169    HA   ALA  24           HA       ALA  24  -5.057   3.457  -3.911
  170   1HB   ALA  24          1HB       ALA  24  -6.905   4.348  -4.915
  171   2HB   ALA  24          2HB       ALA  24  -6.265   5.989  -4.830
  172   3HB   ALA  24          3HB       ALA  24  -7.069   5.282  -3.428
  173    H    LEU  25           H        LEU  25  -4.283   6.955  -3.662
  174    HA   LEU  25           HA       LEU  25  -2.602   6.965  -6.028
  175   1HB   LEU  25          2HB       LEU  25  -3.812   8.752  -4.211
  176   2HB   LEU  25          1HB       LEU  25  -2.080   9.047  -4.090
  177    HG   LEU  25           HG       LEU  25  -2.513   8.747  -6.823
  178   1HD1  LEU  25          1HD1      LEU  25  -5.016   9.089  -5.912
  179   2HD1  LEU  25          2HD1      LEU  25  -4.474   9.777  -7.444
  180   3HD1  LEU  25          3HD1      LEU  25  -4.526  10.782  -5.996
  181   1HD2  LEU  25          1HD2      LEU  25  -1.519  10.656  -4.992
  182   2HD2  LEU  25          2HD2      LEU  25  -2.656  11.521  -6.026
  183   3HD2  LEU  25          3HD2      LEU  25  -1.303  10.646  -6.743
  184    H    CYS  26           H        CYS  26  -2.148   6.106  -2.687
  185    HA   CYS  26           HA       CYS  26   0.783   6.428  -2.752
  186   1HB   CYS  26          2HB       CYS  26  -1.025   5.104  -0.707
  187   2HB   CYS  26          1HB       CYS  26   0.605   5.719  -0.442
  188    H    ALA  27           H        ALA  27  -1.593   3.903  -3.292
  189    HA   ALA  27           HA       ALA  27   0.547   1.837  -3.289
  190   1HB   ALA  27          1HB       ALA  27  -1.153   0.708  -2.289
  191   2HB   ALA  27          2HB       ALA  27  -1.934   0.668  -3.869
  192   3HB   ALA  27          3HB       ALA  27  -2.311   1.962  -2.732
  193    H    THR  28           H        THR  28  -0.872   3.969  -5.315
  194    HA   THR  28           HA       THR  28  -0.805   2.237  -7.727
  195    HB   THR  28           HB       THR  28  -1.927   4.893  -6.894
  196    HG1  THR  28           1HG      THR  28  -3.640   3.907  -8.280
  197   1HG2  THR  28          1HG2      THR  28  -0.665   5.486  -8.883
  198   2HG2  THR  28          2HG2      THR  28  -2.384   5.437  -9.276
  199   3HG2  THR  28          3HG2      THR  28  -1.331   4.105  -9.753
  200    H    TYR  29           H        TYR  29   0.831   4.843  -6.062
  201    HA   TYR  29           HA       TYR  29   2.695   5.354  -8.304
  202   1HB   TYR  29          2HB       TYR  29   1.963   7.258  -7.051
  203   2HB   TYR  29          1HB       TYR  29   2.243   6.441  -5.514
  204    HD1  TYR  29           1HD      TYR  29   4.424   6.618  -8.547
  205    HD2  TYR  29           2HD      TYR  29   3.897   7.713  -4.427
  206    HE1  TYR  29           1HE      TYR  29   6.736   7.514  -8.488
  207    HE2  TYR  29           2HE      TYR  29   6.208   8.609  -4.369
  208    HH   TYR  29           HH       TYR  29   8.463   8.041  -6.921
  209    H    THR  30           H        THR  30   2.583   3.782  -5.135
  210    HA   THR  30           HA       THR  30   5.458   3.097  -5.295
  211    HB   THR  30           HB       THR  30   4.012   3.887  -3.239
  212    HG1  THR  30           1HG      THR  30   5.836   1.723  -3.155
  213   1HG2  THR  30          1HG2      THR  30   2.839   2.277  -2.070
  214   2HG2  THR  30          2HG2      THR  30   3.748   0.946  -2.787
  215   3HG2  THR  30          3HG2      THR  30   2.506   1.772  -3.727
  216    H    GLY  31           H        GLY  31   2.359   1.689  -5.988
  217   1HA   GLY  31          2HA       GLY  31   2.346  -0.315  -7.426
  218   2HA   GLY  31          1HA       GLY  31   3.753  -0.897  -6.541
  219    H    CYS  32           H        CYS  32   2.850  -0.420  -3.890
  220    HA   CYS  32           HA       CYS  32   1.543  -2.750  -3.169
  221   1HB   CYS  32          2HB       CYS  32   2.542  -1.030  -1.660
  222   2HB   CYS  32          1HB       CYS  32   1.136  -0.003  -1.942
  223    H    ILE  33           H        ILE  33  -0.773  -3.030  -2.390
  224    HA   ILE  33           HA       ILE  33  -2.751  -1.359  -3.863
  225    HB   ILE  33           HB       ILE  33  -3.760  -3.490  -4.735
  226   1HG1  ILE  33          2HG1      ILE  33  -1.279  -5.010  -4.387
  227   2HG1  ILE  33          1HG1      ILE  33  -2.083  -4.663  -2.857
  228   1HG2  ILE  33          1HG2      ILE  33  -2.043  -2.021  -5.976
  229   2HG2  ILE  33          2HG2      ILE  33  -2.266  -3.665  -6.572
  230   3HG2  ILE  33          3HG2      ILE  33  -0.867  -3.272  -5.574
  231   1HD1  ILE  33          1HD1      ILE  33  -4.232  -5.496  -3.920
  232   2HD1  ILE  33          2HD1      ILE  33  -3.001  -6.733  -3.663
  233   3HD1  ILE  33          3HD1      ILE  33  -3.253  -6.059  -5.274
  234    H    ILE  34           H        ILE  34  -4.792  -1.348  -2.864
  235    HA   ILE  34           HA       ILE  34  -4.933  -2.708  -0.200
  236    HB   ILE  34           HB       ILE  34  -6.460  -0.334  -1.322
  237   1HG1  ILE  34          2HG1      ILE  34  -4.724   0.520   0.696
  238   2HG1  ILE  34          1HG1      ILE  34  -3.753  -0.593  -0.268
  239   1HG2  ILE  34          1HG2      ILE  34  -7.280  -1.827   0.710
  240   2HG2  ILE  34          2HG2      ILE  34  -7.384  -0.068   0.792
  241   3HG2  ILE  34          3HG2      ILE  34  -6.058  -0.912   1.591
  242   1HD1  ILE  34          1HD1      ILE  34  -3.530   1.610  -1.239
  243   2HD1  ILE  34          2HD1      ILE  34  -5.280   1.829  -1.261
  244   3HD1  ILE  34          3HD1      ILE  34  -4.526   0.642  -2.326
  245    H    ILE  35           H        ILE  35  -7.033  -3.666   0.374
  246    HA   ILE  35           HA       ILE  35  -8.894  -4.122  -1.911
  247    HB   ILE  35           HB       ILE  35  -8.734  -6.491  -1.683
  248   1HG1  ILE  35          2HG1      ILE  35  -8.701  -6.450   0.833
  249   2HG1  ILE  35          1HG1      ILE  35  -7.571  -7.605   0.128
  250   1HG2  ILE  35          1HG2      ILE  35  -6.520  -6.884  -2.346
  251   2HG2  ILE  35          2HG2      ILE  35  -5.869  -5.691  -1.221
  252   3HG2  ILE  35          3HG2      ILE  35  -6.718  -5.163  -2.674
  253   1HD1  ILE  35          1HD1      ILE  35  -7.027  -5.085   1.612
  254   2HD1  ILE  35          2HD1      ILE  35  -5.955  -5.449   0.260
  255   3HD1  ILE  35          3HD1      ILE  35  -6.118  -6.596   1.588
  256    HA   PRO  36           HA       PRO  36 -11.851  -3.497   1.276
  257   1HB   PRO  36          2HB       PRO  36 -14.037  -4.572   0.026
  258   2HB   PRO  36          1HB       PRO  36 -13.347  -2.996  -0.414
  259   1HG   PRO  36          2HG       PRO  36 -13.032  -5.637  -1.749
  260   2HG   PRO  36          1HG       PRO  36 -13.192  -4.024  -2.460
  261   1HD   PRO  36          2HD       PRO  36 -10.816  -5.349  -2.222
  262   2HD   PRO  36          1HD       PRO  36 -10.958  -3.578  -2.268
  263    H    GLY  37           H        GLY  37 -10.362  -5.474   2.196
  264   1HA   GLY  37          2HA       GLY  37 -12.199  -7.310   3.436
  265   2HA   GLY  37          1HA       GLY  37 -11.247  -8.127   2.198
  266    H    ALA  38           H        ALA  38  -9.882  -9.318   3.460
  267    HA   ALA  38           HA       ALA  38  -7.846  -7.816   5.024
  268   1HB   ALA  38          1HB       ALA  38  -9.043  -8.335   6.895
  269   2HB   ALA  38          2HB       ALA  38  -8.390  -9.957   6.664
  270   3HB   ALA  38          3HB       ALA  38  -9.994  -9.555   6.049
  271    H    THR  39           H        THR  39  -8.332  -9.842   2.600
  272    HA   THR  39           HA       THR  39  -6.034 -11.609   3.349
  273    HB   THR  39           HB       THR  39  -7.823 -12.235   1.067
  274    HG1  THR  39           1HG      THR  39  -8.539 -12.444   3.803
  275   1HG2  THR  39          1HG2      THR  39  -6.846 -14.242   1.326
  276   2HG2  THR  39          2HG2      THR  39  -7.266 -14.291   3.039
  277   3HG2  THR  39          3HG2      THR  39  -5.790 -13.480   2.515
  278    H    CYS  40           H        CYS  40  -4.301 -10.607   2.527
  279    HA   CYS  40           HA       CYS  40  -4.294  -9.050   0.067
  280   1HB   CYS  40          2HB       CYS  40  -2.096 -10.195   1.825
  281   2HB   CYS  40          1HB       CYS  40  -1.831  -9.021   0.537
  282    HA   PRO  41           HA       PRO  41  -3.420 -12.245  -2.809
  283   1HB   PRO  41          2HB       PRO  41  -1.627 -11.044  -4.490
  284   2HB   PRO  41          1HB       PRO  41  -3.350 -10.616  -4.451
  285   1HG   PRO  41          2HG       PRO  41  -1.023  -9.208  -3.259
  286   2HG   PRO  41          1HG       PRO  41  -2.485  -8.545  -4.005
  287   1HD   PRO  41          2HD       PRO  41  -2.072  -8.696  -1.296
  288   2HD   PRO  41          1HD       PRO  41  -3.675  -8.647  -2.058
  289    H    GLY  42           H        GLY  42  -1.099 -12.943  -4.137
  290   1HA   GLY  42          2HA       GLY  42   0.624 -13.839  -1.885
  291   2HA   GLY  42          1HA       GLY  42   0.563 -14.584  -3.482
  292    H    ASP  43           H        ASP  43   0.650 -11.825  -4.741
  293    HA   ASP  43           HA       ASP  43   3.589 -11.622  -4.801
  294   1HB   ASP  43          2HB       ASP  43   1.379 -10.104  -6.232
  295   2HB   ASP  43          1HB       ASP  43   3.091 -10.062  -6.657
  296    H    TYR  44           H        TYR  44   0.880  -9.983  -3.371
  297    HA   TYR  44           HA       TYR  44   2.724  -7.839  -2.368
  298   1HB   TYR  44          2HB       TYR  44  -0.276  -7.612  -2.652
  299   2HB   TYR  44          1HB       TYR  44   0.915  -6.315  -2.567
  300    HD1  TYR  44           1HD      TYR  44  -1.316  -7.197  -4.752
  301    HD2  TYR  44           2HD      TYR  44   2.966  -7.393  -4.476
  302    HE1  TYR  44           1HE      TYR  44  -1.156  -7.170  -7.226
  303    HE2  TYR  44           2HE      TYR  44   3.126  -7.366  -6.951
  304    HH   TYR  44           HH       TYR  44   1.983  -7.008  -8.862
  305    H    ALA  45           H        ALA  45   2.251 -10.469  -1.159
  306    HA   ALA  45           HA       ALA  45   0.369 -10.064   1.063
  307   1HB   ALA  45          1HB       ALA  45   0.681 -12.332   1.365
  308   2HB   ALA  45          2HB       ALA  45   2.407 -12.242   1.017
  309   3HB   ALA  45          3HB       ALA  45   1.239 -12.208  -0.304
  310    H    ASN  46           H        ASN  46   2.760  -8.229   0.801
  311    HA   ASN  46           HA       ASN  46   3.813  -8.654   3.555
  312   1HB   ASN  46          2HB       ASN  46   5.228  -9.380   1.377
  313   2HB   ASN  46          1HB       ASN  46   5.674  -7.674   1.443
  314   1HD2  ASN  46          1HD2      ASN  46   5.213  -7.802   4.498
  315   2HD2  ASN  46          2HD2      ASN  46   6.633  -8.519   5.088
  Start of MODEL    2
    1   1H    THR   1          1HT       THR   1  -8.461  -3.210   3.410
    2   2H    THR   1          2HT       THR   1  -7.698  -2.617   2.013
    3   3H    THR   1          3HT       THR   1  -7.669  -1.712   3.452
    4    HA   THR   1           HA       THR   1  -6.013  -2.944   4.378
    5    HB   THR   1           HB       THR   1  -7.425  -5.129   2.847
    6    HG1  THR   1           1HG      THR   1  -6.775  -4.961   5.585
    7   1HG2  THR   1          1HG2      THR   1  -4.636  -5.062   3.649
    8   2HG2  THR   1          2HG2      THR   1  -5.504  -6.298   2.738
    9   3HG2  THR   1          3HG2      THR   1  -5.511  -6.336   4.501
   10    H    THR   2           H        THR   2  -4.104  -2.204   3.536
   11    HA   THR   2           HA       THR   2  -3.609  -2.290   0.623
   12    HB   THR   2           HB       THR   2  -2.257  -1.123   3.062
   13    HG1  THR   2           1HG      THR   2  -2.637   0.722   1.415
   14   1HG2  THR   2          1HG2      THR   2  -0.818  -0.021   1.115
   15   2HG2  THR   2          2HG2      THR   2  -1.185  -1.543   0.304
   16   3HG2  THR   2          3HG2      THR   2  -0.338  -1.550   1.851
   17    H    CYS   3           H        CYS   3  -1.615  -3.293  -0.236
   18    HA   CYS   3           HA       CYS   3  -0.188  -5.198   1.527
   19   1HB   CYS   3          2HB       CYS   3  -2.484  -5.870  -0.038
   20   2HB   CYS   3          1HB       CYS   3  -1.084  -6.662  -0.759
   21    H    CYS   4           H        CYS   4   1.899  -4.651   0.945
   22    HA   CYS   4           HA       CYS   4   2.510  -4.384  -1.978
   23   1HB   CYS   4          2HB       CYS   4   3.077  -2.797   0.353
   24   2HB   CYS   4          1HB       CYS   4   4.600  -3.385  -0.313
   25    HA   PRO   5           HA       PRO   5   4.970  -7.999  -1.498
   26   1HB   PRO   5          2HB       PRO   5   6.609  -7.719  -3.662
   27   2HB   PRO   5          1HB       PRO   5   4.894  -8.155  -3.795
   28   1HG   PRO   5          2HG       PRO   5   6.231  -5.560  -4.294
   29   2HG   PRO   5          1HG       PRO   5   4.818  -6.276  -5.082
   30   1HD   PRO   5          2HD       PRO   5   4.746  -4.284  -3.152
   31   2HD   PRO   5          1HD       PRO   5   3.381  -5.328  -3.606
   32    H    SER   6           H        SER   6   5.978  -5.496  -0.038
   33    HA   SER   6           HA       SER   6   8.582  -6.505   0.643
   34   1HB   SER   6          2HB       SER   6   9.325  -5.777  -1.477
   35   2HB   SER   6          1HB       SER   6   8.343  -4.315  -1.413
   36    HG   SER   6           HG       SER   6  10.401  -4.831   0.454
   37    H    ILE   7           H        ILE   7   9.602  -5.221   2.303
   38    HA   ILE   7           HA       ILE   7   7.810  -3.765   4.011
   39    HB   ILE   7           HB       ILE   7  10.827  -4.038   3.852
   40   1HG1  ILE   7          2HG1      ILE   7   8.648  -5.417   5.444
   41   2HG1  ILE   7          1HG1      ILE   7   9.757  -6.150   4.285
   42   1HG2  ILE   7          1HG2      ILE   7  11.036  -2.967   5.920
   43   2HG2  ILE   7          2HG2      ILE   7   9.335  -3.201   6.324
   44   3HG2  ILE   7          3HG2      ILE   7   9.799  -1.988   5.131
   45   1HD1  ILE   7          1HD1      ILE   7  10.518  -6.640   6.555
   46   2HD1  ILE   7          2HD1      ILE   7  10.508  -4.922   6.954
   47   3HD1  ILE   7          3HD1      ILE   7  11.662  -5.546   5.775
   48    H    VAL   8           H        VAL   8   9.938  -2.811   1.401
   49    HA   VAL   8           HA       VAL   8   9.965   0.037   2.098
   50    HB   VAL   8           HB       VAL   8  10.621  -1.274  -0.552
   51   1HG1  VAL   8          1HG1      VAL   8  12.109   0.560  -0.837
   52   2HG1  VAL   8          2HG1      VAL   8  12.009   1.005   0.867
   53   3HG1  VAL   8          3HG1      VAL   8  10.628   1.271  -0.196
   54   1HG2  VAL   8          1HG2      VAL   8  11.888  -1.603   2.095
   55   2HG2  VAL   8          2HG2      VAL   8  13.001  -1.144   0.807
   56   3HG2  VAL   8          3HG2      VAL   8  12.026  -2.605   0.650
   57    H    ALA   9           H        ALA   9   8.524  -1.876  -0.577
   58    HA   ALA   9           HA       ALA   9   6.993   0.167  -1.779
   59   1HB   ALA   9          1HB       ALA   9   6.029  -1.612  -2.915
   60   2HB   ALA   9          2HB       ALA   9   5.849  -2.578  -1.450
   61   3HB   ALA   9          3HB       ALA   9   7.426  -2.440  -2.226
   62    H    ARG  10           H        ARG  10   6.060  -2.079   0.831
   63    HA   ARG  10           HA       ARG  10   3.451  -0.941   1.265
   64   1HB   ARG  10          2HB       ARG  10   3.429  -2.463   3.105
   65   2HB   ARG  10          1HB       ARG  10   4.420  -3.239   1.876
   66   1HG   ARG  10          2HG       ARG  10   5.971  -3.451   3.511
   67   2HG   ARG  10          1HG       ARG  10   6.272  -1.734   3.265
   68   1HD   ARG  10          2HD       ARG  10   5.866  -2.080   5.638
   69   2HD   ARG  10          1HD       ARG  10   4.434  -1.273   4.969
   70    HE   ARG  10           HE       ARG  10   4.087  -4.090   4.687
   71   1HH1  ARG  10          1HH2      ARG  10   2.437  -1.793   6.113
   72   2HH1  ARG  10          2HH2      ARG  10   2.219  -2.538   7.662
   73   1HH2  ARG  10          1HH1      ARG  10   4.600  -4.998   7.115
   74   2HH2  ARG  10          2HH1      ARG  10   3.440  -4.352   8.227
   75    H    SER  11           H        SER  11   6.672  -0.157   2.400
   76    HA   SER  11           HA       SER  11   5.836   1.522   4.628
   77   1HB   SER  11          2HB       SER  11   8.027   0.712   4.786
   78   2HB   SER  11          1HB       SER  11   8.333   0.926   3.066
   79    HG   SER  11           HG       SER  11   9.228   2.489   4.768
   80    H    ASN  12           H        ASN  12   6.917   2.099   1.282
   81    HA   ASN  12           HA       ASN  12   6.857   4.915   1.209
   82   1HB   ASN  12          2HB       ASN  12   5.769   3.109  -0.960
   83   2HB   ASN  12          1HB       ASN  12   6.655   4.619  -1.160
   84   1HD2  ASN  12          1HD2      ASN  12   7.358   1.942  -2.257
   85   2HD2  ASN  12          2HD2      ASN  12   8.887   1.566  -1.632
   86    H    PHE  13           H        PHE  13   4.200   2.608   0.590
   87    HA   PHE  13           HA       PHE  13   2.103   4.415   0.072
   88   1HB   PHE  13          2HB       PHE  13   1.596   2.163  -0.237
   89   2HB   PHE  13          1HB       PHE  13   2.420   1.671   1.241
   90    HD1  PHE  13           1HD      PHE  13   1.030   0.866   2.914
   91    HD2  PHE  13           2HD      PHE  13  -0.409   3.963   0.314
   92    HE1  PHE  13           1HE      PHE  13  -1.130   0.883   4.132
   93    HE2  PHE  13           2HE      PHE  13  -2.566   3.983   1.531
   94    HZ   PHE  13           HZ       PHE  13  -2.929   2.443   3.441
   95    H    ASN  14           H        ASN  14   3.367   3.258   3.192
   96    HA   ASN  14           HA       ASN  14   1.433   4.744   4.793
   97   1HB   ASN  14          2HB       ASN  14   3.918   3.118   5.183
   98   2HB   ASN  14          1HB       ASN  14   3.402   4.160   6.509
   99   1HD2  ASN  14          1HD2      ASN  14   3.256   1.062   5.960
  100   2HD2  ASN  14          2HD2      ASN  14   1.654   0.686   6.379
  101    H    VAL  15           H        VAL  15   4.233   5.578   3.055
  102    HA   VAL  15           HA       VAL  15   4.934   7.875   4.782
  103    HB   VAL  15           HB       VAL  15   6.188   6.087   2.930
  104   1HG1  VAL  15          1HG1      VAL  15   7.481   7.674   1.555
  105   2HG1  VAL  15          2HG1      VAL  15   6.514   9.009   2.182
  106   3HG1  VAL  15          3HG1      VAL  15   5.761   7.770   1.179
  107   1HG2  VAL  15          1HG2      VAL  15   7.866   8.227   3.948
  108   2HG2  VAL  15          2HG2      VAL  15   7.878   6.507   4.342
  109   3HG2  VAL  15          3HG2      VAL  15   6.783   7.600   5.191
  110    H    CYS  16           H        CYS  16   3.172   7.111   1.884
  111    HA   CYS  16           HA       CYS  16   3.095   9.910   0.939
  112   1HB   CYS  16          2HB       CYS  16   3.258   8.285  -0.764
  113   2HB   CYS  16          1HB       CYS  16   2.103   7.214   0.025
  114    H    ARG  17           H        ARG  17   1.240   7.823   2.993
  115    HA   ARG  17           HA       ARG  17  -1.244   9.413   2.659
  116   1HB   ARG  17          2HB       ARG  17  -1.340   6.964   2.787
  117   2HB   ARG  17          1HB       ARG  17  -0.493   6.995   4.334
  118   1HG   ARG  17          2HG       ARG  17  -2.330   7.807   5.484
  119   2HG   ARG  17          1HG       ARG  17  -2.994   8.615   4.062
  120   1HD   ARG  17          2HD       ARG  17  -3.557   6.385   3.091
  121   2HD   ARG  17          1HD       ARG  17  -2.984   5.623   4.588
  122    HE   ARG  17           HE       ARG  17  -4.848   7.737   5.192
  123   1HH1  ARG  17          1HH1      ARG  17  -5.018   4.909   3.315
  124   2HH1  ARG  17          2HH1      ARG  17  -6.406   4.265   4.126
  125   1HH2  ARG  17          1HH2      ARG  17  -6.470   6.746   6.549
  126   2HH2  ARG  17          2HH2      ARG  17  -7.231   5.308   5.955
  127    H    LEU  18           H        LEU  18   1.592   9.750   4.325
  128    HA   LEU  18           HA       LEU  18   0.949  10.273   7.004
  129   1HB   LEU  18          2HB       LEU  18   3.049  10.608   5.127
  130   2HB   LEU  18          1HB       LEU  18   2.834  12.155   5.932
  131    HG   LEU  18           HG       LEU  18   3.087   9.512   7.383
  132   1HD1  LEU  18          1HD1      LEU  18   5.300  11.214   7.889
  133   2HD1  LEU  18          2HD1      LEU  18   5.095  11.160   6.137
  134   3HD1  LEU  18          3HD1      LEU  18   5.308   9.665   7.047
  135   1HD2  LEU  18          1HD2      LEU  18   2.768  12.385   8.188
  136   2HD2  LEU  18          2HD2      LEU  18   3.721  11.318   9.219
  137   3HD2  LEU  18          3HD2      LEU  18   2.030  10.943   8.885
  138    HA   PRO  19           HA       PRO  19  -0.126  14.741   5.687
  139   1HB   PRO  19          2HB       PRO  19  -0.599  15.232   3.040
  140   2HB   PRO  19          1HB       PRO  19   1.009  15.364   3.778
  141   1HG   PRO  19          2HG       PRO  19  -0.120  13.221   2.075
  142   2HG   PRO  19          1HG       PRO  19   1.542  13.814   2.195
  143   1HD   PRO  19          2HD       PRO  19   0.586  11.487   3.344
  144   2HD   PRO  19          1HD       PRO  19   2.065  12.338   3.838
  145    H    GLY  20           H        GLY  20  -1.640  12.016   4.095
  146   1HA   GLY  20          2HA       GLY  20  -4.034  11.714   4.982
  147   2HA   GLY  20          1HA       GLY  20  -4.295  13.357   4.399
  148    H    THR  21           H        THR  21  -2.191  11.500   2.427
  149    HA   THR  21           HA       THR  21  -3.850  11.675   0.146
  150    HB   THR  21           HB       THR  21  -1.616   9.716   0.676
  151    HG1  THR  21           1HG      THR  21  -0.385  11.378   0.963
  152   1HG2  THR  21          1HG2      THR  21  -2.767   9.470  -1.460
  153   2HG2  THR  21          2HG2      THR  21  -1.151  10.123  -1.729
  154   3HG2  THR  21          3HG2      THR  21  -2.556  11.188  -1.799
  155    HA   PRO  22           HA       PRO  22  -6.313   8.091   0.744
  156   1HB   PRO  22          2HB       PRO  22  -7.147   7.819  -1.847
  157   2HB   PRO  22          1HB       PRO  22  -7.785   9.052  -0.747
  158   1HG   PRO  22          2HG       PRO  22  -5.793   9.317  -2.932
  159   2HG   PRO  22          1HG       PRO  22  -7.026  10.464  -2.384
  160   1HD   PRO  22          2HD       PRO  22  -4.343  10.633  -1.740
  161   2HD   PRO  22          1HD       PRO  22  -5.644  11.366  -0.801
  162    H    GLU  23           H        GLU  23  -5.354   6.170   0.986
  163    HA   GLU  23           HA       GLU  23  -3.036   5.100   0.063
  164   1HB   GLU  23          2HB       GLU  23  -4.019   2.939   0.511
  165   2HB   GLU  23          1HB       GLU  23  -4.793   4.096   1.592
  166   1HG   GLU  23          2HG       GLU  23  -6.525   4.331  -0.383
  167   2HG   GLU  23          1HG       GLU  23  -5.909   2.742  -0.842
  168    H    ALA  24           H        ALA  24  -5.963   5.469  -1.865
  169    HA   ALA  24           HA       ALA  24  -5.360   3.750  -4.042
  170   1HB   ALA  24          1HB       ALA  24  -7.288   4.698  -4.768
  171   2HB   ALA  24          2HB       ALA  24  -6.552   6.301  -4.799
  172   3HB   ALA  24          3HB       ALA  24  -7.255   5.681  -3.305
  173    H    LEU  25           H        LEU  25  -4.352   7.122  -3.371
  174    HA   LEU  25           HA       LEU  25  -2.878   7.364  -5.881
  175   1HB   LEU  25          2HB       LEU  25  -3.864   8.959  -3.741
  176   2HB   LEU  25          1HB       LEU  25  -2.126   9.228  -3.827
  177    HG   LEU  25           HG       LEU  25  -3.327   9.161  -6.479
  178   1HD1  LEU  25          1HD1      LEU  25  -5.309  10.113  -5.719
  179   2HD1  LEU  25          2HD1      LEU  25  -4.335  11.557  -5.993
  180   3HD1  LEU  25          3HD1      LEU  25  -4.523  10.916  -4.361
  181   1HD2  LEU  25          1HD2      LEU  25  -1.779  11.232  -4.889
  182   2HD2  LEU  25          2HD2      LEU  25  -2.143  11.366  -6.609
  183   3HD2  LEU  25          3HD2      LEU  25  -1.104  10.065  -6.027
  184    H    CYS  26           H        CYS  26  -2.112   6.553  -2.513
  185    HA   CYS  26           HA       CYS  26   0.790   6.603  -2.958
  186   1HB   CYS  26          2HB       CYS  26  -0.855   5.486  -0.670
  187   2HB   CYS  26          1HB       CYS  26   0.839   5.964  -0.615
  188    H    ALA  27           H        ALA  27  -1.754   4.262  -3.329
  189    HA   ALA  27           HA       ALA  27   0.205   2.029  -3.231
  190   1HB   ALA  27          1HB       ALA  27  -2.684   1.582  -3.760
  191   2HB   ALA  27          2HB       ALA  27  -2.279   2.269  -2.187
  192   3HB   ALA  27          3HB       ALA  27  -1.605   0.713  -2.670
  193    H    THR  28           H        THR  28  -1.307   4.092  -5.350
  194    HA   THR  28           HA       THR  28  -1.248   2.245  -7.664
  195    HB   THR  28           HB       THR  28  -2.252   5.014  -7.031
  196    HG1  THR  28           1HG      THR  28  -3.473   2.811  -8.325
  197   1HG2  THR  28          1HG2      THR  28  -1.295   5.462  -9.118
  198   2HG2  THR  28          2HG2      THR  28  -2.953   5.014  -9.518
  199   3HG2  THR  28          3HG2      THR  28  -1.648   3.846  -9.730
  200    H    TYR  29           H        TYR  29   0.550   4.852  -6.177
  201    HA   TYR  29           HA       TYR  29   2.298   5.153  -8.571
  202   1HB   TYR  29          2HB       TYR  29   1.489   7.176  -7.490
  203   2HB   TYR  29          1HB       TYR  29   2.037   6.602  -5.915
  204    HD1  TYR  29           1HD      TYR  29   3.750   8.079  -5.260
  205    HD2  TYR  29           2HD      TYR  29   3.744   6.466  -9.240
  206    HE1  TYR  29           1HE      TYR  29   5.982   9.081  -5.669
  207    HE2  TYR  29           2HE      TYR  29   5.975   7.468  -9.650
  208    HH   TYR  29           HH       TYR  29   7.323   9.824  -7.663
  209    H    THR  30           H        THR  30   2.236   3.905  -5.284
  210    HA   THR  30           HA       THR  30   5.136   3.297  -5.382
  211    HB   THR  30           HB       THR  30   3.549   4.254  -3.439
  212    HG1  THR  30           1HG      THR  30   5.453   4.180  -2.621
  213   1HG2  THR  30          1HG2      THR  30   3.737   1.388  -2.595
  214   2HG2  THR  30          2HG2      THR  30   2.359   1.914  -3.563
  215   3HG2  THR  30          3HG2      THR  30   2.675   2.663  -1.998
  216    H    GLY  31           H        GLY  31   2.088   1.767  -5.988
  217   1HA   GLY  31          2HA       GLY  31   2.194  -0.399  -7.189
  218   2HA   GLY  31          1HA       GLY  31   3.526  -0.856  -6.131
  219    H    CYS  32           H        CYS  32   2.413  -0.078  -3.636
  220    HA   CYS  32           HA       CYS  32   1.101  -2.298  -2.690
  221   1HB   CYS  32          2HB       CYS  32   0.551   0.605  -1.993
  222   2HB   CYS  32          1HB       CYS  32   0.151  -0.769  -0.966
  223    H    ILE  33           H        ILE  33  -1.098  -2.991  -2.496
  224    HA   ILE  33           HA       ILE  33  -3.070  -1.516  -4.209
  225    HB   ILE  33           HB       ILE  33  -3.797  -3.677  -5.062
  226   1HG1  ILE  33          2HG1      ILE  33  -1.596  -5.014  -3.492
  227   2HG1  ILE  33          1HG1      ILE  33  -3.201  -4.805  -2.792
  228   1HG2  ILE  33          1HG2      ILE  33  -1.592  -4.467  -6.076
  229   2HG2  ILE  33          2HG2      ILE  33  -0.805  -3.236  -5.089
  230   3HG2  ILE  33          3HG2      ILE  33  -1.979  -2.764  -6.316
  231   1HD1  ILE  33          1HD1      ILE  33  -2.946  -5.968  -5.547
  232   2HD1  ILE  33          2HD1      ILE  33  -4.215  -6.212  -4.348
  233   3HD1  ILE  33          3HD1      ILE  33  -2.647  -6.995  -4.144
  234    H    ILE  34           H        ILE  34  -5.232  -1.578  -3.448
  235    HA   ILE  34           HA       ILE  34  -5.561  -2.594  -0.649
  236    HB   ILE  34           HB       ILE  34  -6.985  -0.389  -2.172
  237   1HG1  ILE  34          2HG1      ILE  34  -5.513   0.726  -0.100
  238   2HG1  ILE  34          1HG1      ILE  34  -4.430  -0.504  -0.747
  239   1HG2  ILE  34          1HG2      ILE  34  -6.974  -1.131   0.770
  240   2HG2  ILE  34          2HG2      ILE  34  -8.319  -1.373  -0.345
  241   3HG2  ILE  34          3HG2      ILE  34  -7.799   0.261   0.068
  242   1HD1  ILE  34          1HD1      ILE  34  -4.292   0.515  -2.822
  243   2HD1  ILE  34          2HD1      ILE  34  -4.512   1.936  -1.800
  244   3HD1  ILE  34          3HD1      ILE  34  -5.884   1.259  -2.678
  245    H    ILE  35           H        ILE  35  -7.547  -3.680  -0.151
  246    HA   ILE  35           HA       ILE  35  -9.389  -4.296  -2.407
  247    HB   ILE  35           HB       ILE  35  -9.090  -6.680  -2.083
  248   1HG1  ILE  35          2HG1      ILE  35  -8.707  -6.398   0.438
  249   2HG1  ILE  35          1HG1      ILE  35  -7.742  -7.634  -0.366
  250   1HG2  ILE  35          1HG2      ILE  35  -6.798  -6.940  -2.811
  251   2HG2  ILE  35          2HG2      ILE  35  -6.344  -5.396  -2.089
  252   3HG2  ILE  35          3HG2      ILE  35  -7.416  -5.433  -3.489
  253   1HD1  ILE  35          1HD1      ILE  35  -5.888  -6.627   0.414
  254   2HD1  ILE  35          2HD1      ILE  35  -6.847  -5.309   1.084
  255   3HD1  ILE  35          3HD1      ILE  35  -6.270  -5.219  -0.576
  256    HA   PRO  36           HA       PRO  36 -12.405  -4.139   0.767
  257   1HB   PRO  36          2HB       PRO  36 -14.256  -5.955  -0.100
  258   2HB   PRO  36          1HB       PRO  36 -14.004  -4.381  -0.883
  259   1HG   PRO  36          2HG       PRO  36 -13.054  -7.076  -1.703
  260   2HG   PRO  36          1HG       PRO  36 -13.621  -5.727  -2.698
  261   1HD   PRO  36          2HD       PRO  36 -10.980  -6.372  -2.347
  262   2HD   PRO  36          1HD       PRO  36 -11.560  -4.745  -2.762
  263    H    GLY  37           H        GLY  37 -10.502  -6.893   0.346
  264   1HA   GLY  37          2HA       GLY  37 -11.839  -8.441   2.486
  265   2HA   GLY  37          1HA       GLY  37 -10.481  -8.995   1.507
  266    H    ALA  38           H        ALA  38  -9.079  -9.496   3.168
  267    HA   ALA  38           HA       ALA  38  -7.854  -7.185   4.567
  268   1HB   ALA  38          1HB       ALA  38  -8.913  -7.626   6.506
  269   2HB   ALA  38          2HB       ALA  38  -8.260  -9.265   6.492
  270   3HB   ALA  38          3HB       ALA  38  -9.805  -8.925   5.713
  271    H    THR  39           H        THR  39  -7.371  -9.903   2.790
  272    HA   THR  39           HA       THR  39  -4.751 -10.428   4.105
  273    HB   THR  39           HB       THR  39  -6.723 -12.126   4.332
  274    HG1  THR  39           1HG      THR  39  -4.997 -13.829   3.791
  275   1HG2  THR  39          1HG2      THR  39  -5.682 -13.293   1.812
  276   2HG2  THR  39          2HG2      THR  39  -6.794 -11.935   1.645
  277   3HG2  THR  39          3HG2      THR  39  -7.297 -13.385   2.513
  278    H    CYS  40           H        CYS  40  -6.261  -9.353   1.411
  279    HA   CYS  40           HA       CYS  40  -5.688  -9.231  -0.896
  280   1HB   CYS  40          2HB       CYS  40  -3.701  -7.941  -0.998
  281   2HB   CYS  40          1HB       CYS  40  -4.285  -7.707   0.638
  282    HA   PRO  41           HA       PRO  41  -3.575 -12.736  -2.537
  283   1HB   PRO  41          2HB       PRO  41  -1.463 -11.959  -4.076
  284   2HB   PRO  41          1HB       PRO  41  -3.152 -11.667  -4.540
  285   1HG   PRO  41          2HG       PRO  41  -1.144  -9.796  -3.429
  286   2HG   PRO  41          1HG       PRO  41  -2.463  -9.496  -4.568
  287   1HD   PRO  41          2HD       PRO  41  -2.484  -8.879  -1.870
  288   2HD   PRO  41          1HD       PRO  41  -3.923  -8.998  -2.904
  289    H    GLY  42           H        GLY  42  -1.392 -13.996  -2.799
  290   1HA   GLY  42          2HA       GLY  42   0.075 -13.734  -0.238
  291   2HA   GLY  42          1HA       GLY  42   0.127 -15.128  -1.319
  292    H    ASP  43           H        ASP  43   0.380 -12.555  -3.330
  293    HA   ASP  43           HA       ASP  43   3.342 -12.811  -3.448
  294   1HB   ASP  43          2HB       ASP  43   1.422 -12.994  -5.338
  295   2HB   ASP  43          1HB       ASP  43   1.753 -11.264  -5.440
  296    H    TYR  44           H        TYR  44   0.785 -10.475  -2.815
  297    HA   TYR  44           HA       TYR  44   2.863  -8.338  -2.482
  298   1HB   TYR  44          2HB       TYR  44  -0.125  -8.002  -2.840
  299   2HB   TYR  44          1HB       TYR  44   1.136  -6.795  -3.089
  300    HD1  TYR  44           1HD      TYR  44   3.145  -8.534  -4.525
  301    HD2  TYR  44           2HD      TYR  44  -1.097  -8.086  -5.027
  302    HE1  TYR  44           1HE      TYR  44   3.352  -9.234  -6.895
  303    HE2  TYR  44           2HE      TYR  44  -0.891  -8.788  -7.396
  304    HH   TYR  44           HH       TYR  44   2.224  -9.179  -8.932
  305    H    ALA  45           H        ALA  45   1.855 -10.510  -0.585
  306    HA   ALA  45           HA       ALA  45   0.402  -9.036   1.501
  307   1HB   ALA  45          1HB       ALA  45   0.659 -11.660   0.695
  308   2HB   ALA  45          2HB       ALA  45  -0.042 -11.143   2.230
  309   3HB   ALA  45          3HB       ALA  45   1.656 -11.614   2.147
  310    H    ASN  46           H        ASN  46   3.145  -8.097   0.694
  311    HA   ASN  46           HA       ASN  46   4.667  -8.631   3.212
  312   1HB   ASN  46          2HB       ASN  46   5.273  -8.277   0.397
  313   2HB   ASN  46          1HB       ASN  46   6.180  -7.119   1.371
  314   1HD2  ASN  46          1HD2      ASN  46   6.456  -8.753   3.751
  315   2HD2  ASN  46          2HD2      ASN  46   7.492 -10.043   3.370
  Start of MODEL    3
    1   1H    THR   1          1HT       THR   1  -6.526  -1.888   5.279
    2   2H    THR   1          2HT       THR   1  -7.645  -3.041   5.829
    3   3H    THR   1          3HT       THR   1  -7.685  -2.520   4.213
    4    HA   THR   1           HA       THR   1  -5.508  -4.103   5.485
    5    HB   THR   1           HB       THR   1  -7.689  -4.703   3.460
    6    HG1  THR   1           1HG      THR   1  -7.274  -5.214   6.171
    7   1HG2  THR   1          1HG2      THR   1  -6.775  -7.056   3.666
    8   2HG2  THR   1          2HG2      THR   1  -5.375  -6.363   4.484
    9   3HG2  THR   1          3HG2      THR   1  -5.725  -5.925   2.812
   10    H    THR   2           H        THR   2  -3.585  -3.902   4.407
   11    HA   THR   2           HA       THR   2  -3.611  -2.574   1.721
   12    HB   THR   2           HB       THR   2  -1.473  -2.792   3.865
   13    HG1  THR   2           1HG      THR   2  -2.207  -0.942   4.555
   14   1HG2  THR   2          1HG2      THR   2  -1.534  -1.108   1.349
   15   2HG2  THR   2          2HG2      THR   2  -0.613  -2.602   1.526
   16   3HG2  THR   2          3HG2      THR   2  -0.222  -1.202   2.524
   17    H    CYS   3           H        CYS   3  -2.171  -3.446   0.093
   18    HA   CYS   3           HA       CYS   3  -0.950  -6.103   0.665
   19   1HB   CYS   3          2HB       CYS   3  -3.246  -5.435  -1.139
   20   2HB   CYS   3          1HB       CYS   3  -2.116  -6.684  -1.664
   21    H    CYS   4           H        CYS   4   1.070  -4.897   0.364
   22    HA   CYS   4           HA       CYS   4   1.571  -3.959  -2.439
   23   1HB   CYS   4          2HB       CYS   4   3.143  -3.468   0.111
   24   2HB   CYS   4          1HB       CYS   4   3.311  -2.606  -1.418
   25    HA   PRO   5           HA       PRO   5   4.108  -7.599  -2.750
   26   1HB   PRO   5          2HB       PRO   5   5.150  -7.060  -5.219
   27   2HB   PRO   5          1HB       PRO   5   3.494  -7.652  -4.981
   28   1HG   PRO   5          2HG       PRO   5   4.457  -4.907  -5.559
   29   2HG   PRO   5          1HG       PRO   5   2.983  -5.725  -6.096
   30   1HD   PRO   5          2HD       PRO   5   3.093  -3.867  -4.063
   31   2HD   PRO   5          1HD       PRO   5   1.814  -5.087  -4.251
   32    H    SER   6           H        SER   6   5.220  -5.570  -1.115
   33    HA   SER   6           HA       SER   6   8.030  -6.015  -1.398
   34   1HB   SER   6          2HB       SER   6   8.074  -3.262  -1.889
   35   2HB   SER   6          1HB       SER   6   8.456  -4.527  -3.050
   36    HG   SER   6           HG       SER   6   6.636  -4.133  -4.024
   37    H    ILE   7           H        ILE   7   8.629  -5.889   0.722
   38    HA   ILE   7           HA       ILE   7   7.176  -4.912   2.876
   39    HB   ILE   7           HB       ILE   7  10.177  -4.887   2.414
   40   1HG1  ILE   7          2HG1      ILE   7   9.137  -7.085   2.050
   41   2HG1  ILE   7          1HG1      ILE   7  10.060  -7.094   3.551
   42   1HG2  ILE   7          1HG2      ILE   7   9.525  -5.431   5.113
   43   2HG2  ILE   7          2HG2      ILE   7   8.576  -4.017   4.654
   44   3HG2  ILE   7          3HG2      ILE   7  10.331  -3.996   4.478
   45   1HD1  ILE   7          1HD1      ILE   7   8.153  -7.914   4.474
   46   2HD1  ILE   7          2HD1      ILE   7   7.155  -7.350   3.135
   47   3HD1  ILE   7          3HD1      ILE   7   7.608  -6.238   4.427
   48    H    VAL   8           H        VAL   8   9.216  -3.078   0.649
   49    HA   VAL   8           HA       VAL   8   9.080  -0.599   2.199
   50    HB   VAL   8           HB       VAL   8   9.824  -1.115  -0.698
   51   1HG1  VAL   8          1HG1      VAL   8  10.420   1.061  -0.782
   52   2HG1  VAL   8          2HG1      VAL   8  11.286   0.943   0.751
   53   3HG1  VAL   8          3HG1      VAL   8   9.554   1.273   0.741
   54   1HG2  VAL   8          1HG2      VAL   8  11.615  -2.239   0.088
   55   2HG2  VAL   8          2HG2      VAL   8  11.062  -1.995   1.745
   56   3HG2  VAL   8          3HG2      VAL   8  12.102  -0.796   0.977
   57    H    ALA   9           H        ALA   9   7.654  -1.708  -0.903
   58    HA   ALA   9           HA       ALA   9   6.085   0.480  -1.590
   59   1HB   ALA   9          1HB       ALA   9   4.527  -1.297  -2.516
   60   2HB   ALA   9          2HB       ALA   9   5.495  -2.494  -1.655
   61   3HB   ALA   9          3HB       ALA   9   6.225  -1.525  -2.936
   62    H    ARG  10           H        ARG  10   5.543  -1.839   1.015
   63    HA   ARG  10           HA       ARG  10   2.837  -0.938   1.605
   64   1HB   ARG  10          2HB       ARG  10   2.985  -2.980   2.560
   65   2HB   ARG  10          1HB       ARG  10   4.719  -3.005   2.293
   66   1HG   ARG  10          2HG       ARG  10   4.883  -1.557   4.428
   67   2HG   ARG  10          1HG       ARG  10   3.212  -2.041   4.725
   68   1HD   ARG  10          2HD       ARG  10   5.354  -4.088   4.121
   69   2HD   ARG  10          1HD       ARG  10   5.042  -3.523   5.771
   70    HE   ARG  10           HE       ARG  10   3.121  -5.014   4.070
   71   1HH1  ARG  10          1HH1      ARG  10   4.218  -5.314   7.043
   72   2HH1  ARG  10          2HH1      ARG  10   2.733  -5.061   7.900
   73   1HH2  ARG  10          1HH2      ARG  10   1.042  -3.827   5.135
   74   2HH2  ARG  10          2HH2      ARG  10   0.935  -4.220   6.819
   75    H    SER  11           H        SER  11   6.071  -0.375   2.986
   76    HA   SER  11           HA       SER  11   5.255   1.281   5.177
   77   1HB   SER  11          2HB       SER  11   7.713   0.624   3.649
   78   2HB   SER  11          1HB       SER  11   7.760   2.137   4.552
   79    HG   SER  11           HG       SER  11   8.349   0.019   5.629
   80    H    ASN  12           H        ASN  12   6.570   2.216   1.969
   81    HA   ASN  12           HA       ASN  12   6.359   5.000   2.171
   82   1HB   ASN  12          2HB       ASN  12   5.694   3.253  -0.220
   83   2HB   ASN  12          1HB       ASN  12   6.280   4.917  -0.272
   84   1HD2  ASN  12          1HD2      ASN  12   7.714   2.737  -1.511
   85   2HD2  ASN  12          2HD2      ASN  12   9.184   2.545  -0.684
   86    H    PHE  13           H        PHE  13   3.833   2.751   0.976
   87    HA   PHE  13           HA       PHE  13   1.784   4.582   0.432
   88   1HB   PHE  13          2HB       PHE  13   1.505   2.289  -0.116
   89   2HB   PHE  13          1HB       PHE  13   1.854   1.769   1.531
   90    HD1  PHE  13           1HD      PHE  13  -0.227   0.480   1.721
   91    HD2  PHE  13           2HD      PHE  13  -0.281   4.687   0.867
   92    HE1  PHE  13           1HE      PHE  13  -2.644   0.559   2.271
   93    HE2  PHE  13           2HE      PHE  13  -2.697   4.768   1.416
   94    HZ   PHE  13           HZ       PHE  13  -3.880   2.704   2.118
   95    H    ASN  14           H        ASN  14   2.768   3.238   3.573
   96    HA   ASN  14           HA       ASN  14   0.584   4.491   5.049
   97   1HB   ASN  14          2HB       ASN  14   2.989   2.827   5.521
   98   2HB   ASN  14          1HB       ASN  14   2.531   3.869   6.869
   99   1HD2  ASN  14          1HD2      ASN  14   2.231   0.818   6.377
  100   2HD2  ASN  14          2HD2      ASN  14   0.599   0.519   6.730
  101    H    VAL  15           H        VAL  15   3.585   5.522   3.772
  102    HA   VAL  15           HA       VAL  15   3.907   7.753   5.692
  103    HB   VAL  15           HB       VAL  15   5.516   6.108   3.970
  104   1HG1  VAL  15          1HG1      VAL  15   5.283   7.966   2.319
  105   2HG1  VAL  15          2HG1      VAL  15   6.939   7.769   2.895
  106   3HG1  VAL  15          3HG1      VAL  15   5.936   9.078   3.523
  107   1HG2  VAL  15          1HG2      VAL  15   6.907   8.220   5.411
  108   2HG2  VAL  15          2HG2      VAL  15   6.950   6.475   5.660
  109   3HG2  VAL  15          3HG2      VAL  15   5.674   7.441   6.402
  110    H    CYS  16           H        CYS  16   2.683   7.080   2.498
  111    HA   CYS  16           HA       CYS  16   2.673   9.918   1.684
  112   1HB   CYS  16          2HB       CYS  16   3.154   8.411  -0.051
  113   2HB   CYS  16          1HB       CYS  16   1.965   7.238   0.509
  114    H    ARG  17           H        ARG  17   0.553   7.675   3.268
  115    HA   ARG  17           HA       ARG  17  -1.896   9.196   2.620
  116   1HB   ARG  17          2HB       ARG  17  -1.971   6.762   2.707
  117   2HB   ARG  17          1HB       ARG  17  -1.262   6.762   4.322
  118   1HG   ARG  17          2HG       ARG  17  -3.234   7.289   5.328
  119   2HG   ARG  17          1HG       ARG  17  -3.703   8.401   4.042
  120   1HD   ARG  17          2HD       ARG  17  -4.284   6.478   2.590
  121   2HD   ARG  17          1HD       ARG  17  -3.850   5.369   3.906
  122    HE   ARG  17           HE       ARG  17  -5.599   7.090   5.140
  123   1HH1  ARG  17          1HH1      ARG  17  -5.669   4.621   2.807
  124   2HH1  ARG  17          2HH1      ARG  17  -7.381   4.692   2.556
  125   1HH2  ARG  17          1HH2      ARG  17  -7.828   7.481   4.566
  126   2HH2  ARG  17          2HH2      ARG  17  -8.604   6.312   3.550
  127    H    LEU  18           H        LEU  18   0.654   9.429   4.800
  128    HA   LEU  18           HA       LEU  18  -0.624  10.089   7.259
  129   1HB   LEU  18          2HB       LEU  18   1.948   9.953   6.049
  130   2HB   LEU  18          1HB       LEU  18   1.808  11.533   6.809
  131    HG   LEU  18           HG       LEU  18   1.442   8.824   8.096
  132   1HD1  LEU  18          1HD1      LEU  18   3.647  10.533   7.819
  133   2HD1  LEU  18          2HD1      LEU  18   3.504   9.176   8.937
  134   3HD1  LEU  18          3HD1      LEU  18   3.075  10.802   9.466
  135   1HD2  LEU  18          1HD2      LEU  18   1.226  10.925  10.005
  136   2HD2  LEU  18          2HD2      LEU  18  -0.010   9.754   9.548
  137   3HD2  LEU  18          3HD2      LEU  18   0.100  11.296   8.699
  138    HA   PRO  19           HA       PRO  19  -0.389  14.605   5.676
  139   1HB   PRO  19          2HB       PRO  19  -0.209  15.001   2.976
  140   2HB   PRO  19          1HB       PRO  19   1.209  14.879   4.035
  141   1HG   PRO  19          2HG       PRO  19   0.032  12.859   2.209
  142   2HG   PRO  19          1HG       PRO  19   1.725  13.164   2.619
  143   1HD   PRO  19          2HD       PRO  19   0.212  11.118   3.646
  144   2HD   PRO  19          1HD       PRO  19   1.659  11.786   4.431
  145    H    GLY  20           H        GLY  20  -2.018  12.146   3.759
  146   1HA   GLY  20          2HA       GLY  20  -4.565  12.334   4.190
  147   2HA   GLY  20          1HA       GLY  20  -4.386  13.952   3.513
  148    H    THR  21           H        THR  21  -2.291  11.725   2.012
  149    HA   THR  21           HA       THR  21  -3.591  11.962  -0.510
  150    HB   THR  21           HB       THR  21  -1.551   9.918   0.351
  151    HG1  THR  21           1HG      THR  21  -0.019  11.577  -0.118
  152   1HG2  THR  21          1HG2      THR  21  -2.130  11.379  -2.234
  153   2HG2  THR  21          2HG2      THR  21  -2.355   9.660  -1.913
  154   3HG2  THR  21          3HG2      THR  21  -0.731  10.340  -1.986
  155    HA   PRO  22           HA       PRO  22  -6.276   8.504  -0.154
  156   1HB   PRO  22          2HB       PRO  22  -6.792   8.215  -2.825
  157   2HB   PRO  22          1HB       PRO  22  -7.509   9.494  -1.829
  158   1HG   PRO  22          2HG       PRO  22  -5.253   9.637  -3.753
  159   2HG   PRO  22          1HG       PRO  22  -6.496  10.842  -3.378
  160   1HD   PRO  22          2HD       PRO  22  -3.907  10.915  -2.408
  161   2HD   PRO  22          1HD       PRO  22  -5.283  11.718  -1.645
  162    H    GLU  23           H        GLU  23  -5.469   6.542   0.222
  163    HA   GLU  23           HA       GLU  23  -3.128   5.319  -0.318
  164   1HB   GLU  23          2HB       GLU  23  -4.559   3.148  -0.529
  165   2HB   GLU  23          1HB       GLU  23  -4.714   4.116   0.935
  166   1HG   GLU  23          2HG       GLU  23  -6.945   3.590   0.239
  167   2HG   GLU  23          1HG       GLU  23  -6.691   5.277  -0.190
  168    H    ALA  24           H        ALA  24  -5.629   5.818  -2.770
  169    HA   ALA  24           HA       ALA  24  -4.634   4.043  -4.774
  170   1HB   ALA  24          1HB       ALA  24  -6.159   6.658  -4.777
  171   2HB   ALA  24          2HB       ALA  24  -6.793   5.031  -5.023
  172   3HB   ALA  24          3HB       ALA  24  -5.808   5.791  -6.272
  173    H    LEU  25           H        LEU  25  -3.826   7.421  -3.964
  174    HA   LEU  25           HA       LEU  25  -1.935   7.751  -6.142
  175   1HB   LEU  25          2HB       LEU  25  -3.254   9.283  -4.192
  176   2HB   LEU  25          1HB       LEU  25  -1.543   9.432  -3.799
  177    HG   LEU  25           HG       LEU  25  -1.751   9.626  -6.620
  178   1HD1  LEU  25          1HD1      LEU  25  -3.316  11.915  -5.745
  179   2HD1  LEU  25          2HD1      LEU  25  -4.181  10.404  -5.462
  180   3HD1  LEU  25          3HD1      LEU  25  -3.615  10.808  -7.084
  181   1HD2  LEU  25          1HD2      LEU  25  -1.024  12.013  -6.099
  182   2HD2  LEU  25          2HD2      LEU  25  -0.030  10.747  -5.376
  183   3HD2  LEU  25          3HD2      LEU  25  -1.216  11.607  -4.393
  184    H    CYS  26           H        CYS  26  -1.708   6.831  -2.713
  185    HA   CYS  26           HA       CYS  26   1.204   6.784  -2.673
  186   1HB   CYS  26          2HB       CYS  26  -0.772   5.403  -0.833
  187   2HB   CYS  26          1HB       CYS  26   0.859   5.931  -0.444
  188    H    ALA  27           H        ALA  27  -1.273   4.589  -3.716
  189    HA   ALA  27           HA       ALA  27   0.578   2.276  -3.638
  190   1HB   ALA  27          1HB       ALA  27  -2.191   2.210  -4.774
  191   2HB   ALA  27          2HB       ALA  27  -2.002   2.413  -3.032
  192   3HB   ALA  27          3HB       ALA  27  -1.353   0.980  -3.830
  193    H    THR  28           H        THR  28  -0.224   4.781  -5.619
  194    HA   THR  28           HA       THR  28   0.099   3.364  -8.189
  195    HB   THR  28           HB       THR  28  -0.777   5.997  -7.140
  196    HG1  THR  28           1HG      THR  28  -2.403   5.561  -8.435
  197   1HG2  THR  28          1HG2      THR  28   1.038   6.861  -8.444
  198   2HG2  THR  28          2HG2      THR  28  -0.424   7.069  -9.407
  199   3HG2  THR  28          3HG2      THR  28   0.692   5.754  -9.771
  200    H    TYR  29           H        TYR  29   1.886   5.347  -5.914
  201    HA   TYR  29           HA       TYR  29   4.192   5.693  -7.729
  202   1HB   TYR  29          2HB       TYR  29   3.665   7.530  -6.303
  203   2HB   TYR  29          1HB       TYR  29   3.455   6.480  -4.903
  204    HD1  TYR  29           1HD      TYR  29   5.127   6.794  -3.321
  205    HD2  TYR  29           2HD      TYR  29   6.145   6.902  -7.493
  206    HE1  TYR  29           1HE      TYR  29   7.517   7.093  -2.730
  207    HE2  TYR  29           2HE      TYR  29   8.536   7.202  -6.901
  208    HH   TYR  29           HH       TYR  29   9.875   6.471  -4.242
  209    H    THR  30           H        THR  30   3.249   3.794  -4.874
  210    HA   THR  30           HA       THR  30   5.860   2.586  -4.508
  211    HB   THR  30           HB       THR  30   4.357   1.228  -2.948
  212    HG1  THR  30           1HG      THR  30   2.320   1.418  -3.247
  213   1HG2  THR  30          1HG2      THR  30   4.202   3.013  -1.365
  214   2HG2  THR  30          2HG2      THR  30   4.104   4.212  -2.655
  215   3HG2  THR  30          3HG2      THR  30   5.615   3.351  -2.364
  216    H    GLY  31           H        GLY  31   2.958   1.899  -6.359
  217   1HA   GLY  31          2HA       GLY  31   2.757   0.292  -8.110
  218   2HA   GLY  31          1HA       GLY  31   4.283  -0.427  -7.591
  219    H    CYS  32           H        CYS  32   1.859   0.236  -5.204
  220    HA   CYS  32           HA       CYS  32   1.312  -2.702  -4.993
  221   1HB   CYS  32          2HB       CYS  32   2.347  -2.342  -3.001
  222   2HB   CYS  32          1HB       CYS  32   2.241  -0.597  -3.177
  223    H    ILE  33           H        ILE  33  -0.854  -3.023  -3.684
  224    HA   ILE  33           HA       ILE  33  -2.894  -1.012  -4.567
  225    HB   ILE  33           HB       ILE  33  -4.304  -2.963  -5.205
  226   1HG1  ILE  33          2HG1      ILE  33  -2.437  -5.029  -5.445
  227   2HG1  ILE  33          1HG1      ILE  33  -2.136  -4.362  -3.840
  228   1HG2  ILE  33          1HG2      ILE  33  -3.285  -3.263  -7.283
  229   2HG2  ILE  33          2HG2      ILE  33  -1.664  -3.337  -6.589
  230   3HG2  ILE  33          3HG2      ILE  33  -2.498  -1.789  -6.719
  231   1HD1  ILE  33          1HD1      ILE  33  -3.825  -5.947  -3.439
  232   2HD1  ILE  33          2HD1      ILE  33  -4.675  -5.555  -4.934
  233   3HD1  ILE  33          3HD1      ILE  33  -4.724  -4.436  -3.572
  234    H    ILE  34           H        ILE  34  -4.677  -0.813  -3.126
  235    HA   ILE  34           HA       ILE  34  -4.268  -2.089  -0.451
  236    HB   ILE  34           HB       ILE  34  -6.011   0.273  -1.194
  237   1HG1  ILE  34          2HG1      ILE  34  -3.817   1.440  -0.156
  238   2HG1  ILE  34          1HG1      ILE  34  -3.051   0.046  -0.920
  239   1HG2  ILE  34          1HG2      ILE  34  -4.616  -0.519   1.382
  240   2HG2  ILE  34          2HG2      ILE  34  -6.327  -0.775   1.039
  241   3HG2  ILE  34          3HG2      ILE  34  -5.689   0.863   1.163
  242   1HD1  ILE  34          1HD1      ILE  34  -3.818   2.421  -2.190
  243   2HD1  ILE  34          2HD1      ILE  34  -5.042   1.244  -2.669
  244   3HD1  ILE  34          3HD1      ILE  34  -3.340   0.917  -2.978
  245    H    ILE  35           H        ILE  35  -6.278  -2.765   0.708
  246    HA   ILE  35           HA       ILE  35  -8.651  -3.264  -1.015
  247    HB   ILE  35           HB       ILE  35  -8.539  -5.676  -0.519
  248   1HG1  ILE  35          2HG1      ILE  35  -5.859  -5.079   0.768
  249   2HG1  ILE  35          1HG1      ILE  35  -7.341  -5.341   1.689
  250   1HG2  ILE  35          1HG2      ILE  35  -6.729  -6.221  -1.983
  251   2HG2  ILE  35          2HG2      ILE  35  -5.832  -4.773  -1.525
  252   3HG2  ILE  35          3HG2      ILE  35  -7.299  -4.632  -2.492
  253   1HD1  ILE  35          1HD1      ILE  35  -7.591  -7.562   0.565
  254   2HD1  ILE  35          2HD1      ILE  35  -6.127  -7.448   1.542
  255   3HD1  ILE  35          3HD1      ILE  35  -6.030  -7.305  -0.214
  256    HA   PRO  36           HA       PRO  36 -10.855  -2.707   2.735
  257   1HB   PRO  36          2HB       PRO  36 -12.923  -4.485   2.456
  258   2HB   PRO  36          1HB       PRO  36 -12.817  -2.971   1.535
  259   1HG   PRO  36          2HG       PRO  36 -12.130  -5.746   0.697
  260   2HG   PRO  36          1HG       PRO  36 -12.933  -4.457  -0.216
  261   1HD   PRO  36          2HD       PRO  36 -10.314  -5.092  -0.551
  262   2HD   PRO  36          1HD       PRO  36 -10.952  -3.451  -0.796
  263    H    GLY  37           H        GLY  37 -10.220  -6.099   1.859
  264   1HA   GLY  37          2HA       GLY  37  -8.811  -6.860   4.105
  265   2HA   GLY  37          1HA       GLY  37 -10.489  -7.057   4.598
  266    H    ALA  38           H        ALA  38  -8.081  -8.841   3.672
  267    HA   ALA  38           HA       ALA  38  -9.707 -11.039   2.705
  268   1HB   ALA  38          1HB       ALA  38  -7.790 -10.281   0.602
  269   2HB   ALA  38          2HB       ALA  38  -9.103  -9.126   0.837
  270   3HB   ALA  38          3HB       ALA  38  -9.467 -10.810   0.458
  271    H    THR  39           H        THR  39  -7.222 -10.149   4.438
  272    HA   THR  39           HA       THR  39  -5.361 -11.269   5.301
  273    HB   THR  39           HB       THR  39  -7.185 -13.165   4.384
  274    HG1  THR  39           1HG      THR  39  -6.503 -13.840   6.224
  275   1HG2  THR  39          1HG2      THR  39  -5.500 -13.415   2.427
  276   2HG2  THR  39          2HG2      THR  39  -6.028 -14.881   3.255
  277   3HG2  THR  39          3HG2      THR  39  -4.452 -14.181   3.620
  278    H    CYS  40           H        CYS  40  -5.634 -10.194   2.277
  279    HA   CYS  40           HA       CYS  40  -4.102  -9.715   0.546
  280   1HB   CYS  40          2HB       CYS  40  -2.961  -9.232   2.943
  281   2HB   CYS  40          1HB       CYS  40  -1.850 -10.464   2.343
  282    HA   PRO  41           HA       PRO  41  -3.159 -13.686  -1.135
  283   1HB   PRO  41          2HB       PRO  41  -1.887 -12.848  -3.408
  284   2HB   PRO  41          1HB       PRO  41  -3.648 -12.763  -3.200
  285   1HG   PRO  41          2HG       PRO  41  -1.609 -10.614  -2.979
  286   2HG   PRO  41          1HG       PRO  41  -3.263 -10.546  -3.606
  287   1HD   PRO  41          2HD       PRO  41  -2.510  -9.650  -1.120
  288   2HD   PRO  41          1HD       PRO  41  -4.160 -10.153  -1.550
  289    H    GLY  42           H        GLY  42  -1.084 -14.824  -2.041
  290   1HA   GLY  42          2HA       GLY  42   1.093 -14.302  -0.162
  291   2HA   GLY  42          1HA       GLY  42   1.048 -15.595  -1.359
  292    H    ASP  43           H        ASP  43   0.255 -12.959  -3.100
  293    HA   ASP  43           HA       ASP  43   3.081 -12.568  -3.974
  294   1HB   ASP  43          2HB       ASP  43   0.348 -12.383  -5.198
  295   2HB   ASP  43          1HB       ASP  43   1.665 -11.462  -5.924
  296    H    TYR  44           H        TYR  44   0.322 -10.883  -2.617
  297    HA   TYR  44           HA       TYR  44   1.881  -8.320  -2.735
  298   1HB   TYR  44          2HB       TYR  44  -1.110  -8.638  -2.394
  299   2HB   TYR  44          1HB       TYR  44  -0.224  -7.200  -2.901
  300    HD1  TYR  44           1HD      TYR  44   1.708  -8.513  -4.818
  301    HD2  TYR  44           2HD      TYR  44  -2.529  -8.978  -4.283
  302    HE1  TYR  44           1HE      TYR  44   1.483  -9.205  -7.189
  303    HE2  TYR  44           2HE      TYR  44  -2.753  -9.672  -6.652
  304    HH   TYR  44           HH       TYR  44   0.067  -9.709  -8.828
  305    H    ALA  45           H        ALA  45   1.723 -10.655  -0.689
  306    HA   ALA  45           HA       ALA  45   0.495  -9.372   1.664
  307   1HB   ALA  45          1HB       ALA  45   1.924 -11.941   1.012
  308   2HB   ALA  45          2HB       ALA  45   0.268 -11.712   1.573
  309   3HB   ALA  45          3HB       ALA  45   1.615 -11.503   2.691
  310    H    ASN  46           H        ASN  46   2.829  -8.040   0.314
  311    HA   ASN  46           HA       ASN  46   4.816  -8.164   2.556
  312   1HB   ASN  46          2HB       ASN  46   4.988  -8.273  -0.312
  313   2HB   ASN  46          1HB       ASN  46   5.827  -6.828   0.251
  314   1HD2  ASN  46          1HD2      ASN  46   5.486 -10.142   1.654
  315   2HD2  ASN  46          2HD2      ASN  46   7.154 -10.388   1.845
  Start of MODEL    4
    1   1H    THR   1          1HT       THR   1  -8.168  -2.117   5.458
    2   2H    THR   1          2HT       THR   1  -8.047  -2.031   3.766
    3   3H    THR   1          3HT       THR   1  -7.207  -0.919   4.738
    4    HA   THR   1           HA       THR   1  -5.844  -2.737   5.640
    5    HB   THR   1           HB       THR   1  -7.680  -4.228   3.756
    6    HG1  THR   1           1HG      THR   1  -6.895  -4.923   6.368
    7   1HG2  THR   1          1HG2      THR   1  -5.309  -4.879   3.334
    8   2HG2  THR   1          2HG2      THR   1  -6.261  -6.190   4.032
    9   3HG2  THR   1          3HG2      THR   1  -5.144  -5.274   5.044
   10    H    THR   2           H        THR   2  -3.819  -3.038   4.603
   11    HA   THR   2           HA       THR   2  -3.644  -1.941   1.822
   12    HB   THR   2           HB       THR   2  -2.613  -0.693   3.762
   13    HG1  THR   2           1HG      THR   2  -0.388  -0.910   2.606
   14   1HG2  THR   2          1HG2      THR   2  -1.315  -1.789   5.223
   15   2HG2  THR   2          2HG2      THR   2  -0.274  -2.367   3.922
   16   3HG2  THR   2          3HG2      THR   2  -1.708  -3.287   4.379
   17    H    CYS   3           H        CYS   3  -1.688  -2.847   0.598
   18    HA   CYS   3           HA       CYS   3  -0.811  -5.554   1.391
   19   1HB   CYS   3          2HB       CYS   3  -3.004  -4.949  -0.480
   20   2HB   CYS   3          1HB       CYS   3  -1.790  -6.041  -1.143
   21    H    CYS   4           H        CYS   4   1.376  -4.977   1.096
   22    HA   CYS   4           HA       CYS   4   2.118  -3.930  -1.612
   23   1HB   CYS   4          2HB       CYS   4   2.705  -3.109   1.079
   24   2HB   CYS   4          1HB       CYS   4   4.206  -3.583   0.284
   25    HA   PRO   5           HA       PRO   5   4.499  -7.555  -2.202
   26   1HB   PRO   5          2HB       PRO   5   6.462  -6.605  -3.843
   27   2HB   PRO   5          1HB       PRO   5   4.784  -6.828  -4.373
   28   1HG   PRO   5          2HG       PRO   5   6.220  -4.344  -3.638
   29   2HG   PRO   5          1HG       PRO   5   4.943  -4.602  -4.834
   30   1HD   PRO   5          2HD       PRO   5   4.581  -3.488  -2.323
   31   2HD   PRO   5          1HD       PRO   5   3.298  -4.193  -3.327
   32    H    SER   6           H        SER   6   5.543  -5.178  -0.165
   33    HA   SER   6           HA       SER   6   7.719  -6.806   0.883
   34   1HB   SER   6          2HB       SER   6   8.237  -4.386  -0.835
   35   2HB   SER   6          1HB       SER   6   9.391  -4.863   0.405
   36    HG   SER   6           HG       SER   6   9.455  -6.930  -0.590
   37    H    ILE   7           H        ILE   7   8.828  -5.623   2.727
   38    HA   ILE   7           HA       ILE   7   6.893  -4.312   4.420
   39    HB   ILE   7           HB       ILE   7   9.901  -4.306   4.743
   40   1HG1  ILE   7          2HG1      ILE   7   9.542  -6.564   4.140
   41   2HG1  ILE   7          1HG1      ILE   7   9.433  -6.588   5.897
   42   1HG2  ILE   7          1HG2      ILE   7   7.804  -4.862   6.833
   43   2HG2  ILE   7          2HG2      ILE   7   8.203  -3.206   6.378
   44   3HG2  ILE   7          3HG2      ILE   7   9.448  -4.260   7.050
   45   1HD1  ILE   7          1HD1      ILE   7   7.525  -7.790   5.303
   46   2HD1  ILE   7          2HD1      ILE   7   7.233  -6.811   3.866
   47   3HD1  ILE   7          3HD1      ILE   7   6.873  -6.159   5.465
   48    H    VAL   8           H        VAL   8   9.450  -3.188   2.265
   49    HA   VAL   8           HA       VAL   8   9.328  -0.412   3.210
   50    HB   VAL   8           HB       VAL   8  10.671  -1.949   0.987
   51   1HG1  VAL   8          1HG1      VAL   8  10.404   1.039   1.304
   52   2HG1  VAL   8          2HG1      VAL   8  10.216   0.067  -0.155
   53   3HG1  VAL   8          3HG1      VAL   8  11.820   0.334   0.525
   54   1HG2  VAL   8          1HG2      VAL   8  11.428  -0.616   3.555
   55   2HG2  VAL   8          2HG2      VAL   8  12.624  -0.644   2.259
   56   3HG2  VAL   8          3HG2      VAL   8  11.972  -2.156   2.891
   57    H    ALA   9           H        ALA   9   8.314  -2.184   0.269
   58    HA   ALA   9           HA       ALA   9   7.142  -0.186  -1.249
   59   1HB   ALA   9          1HB       ALA   9   5.870  -2.865  -0.600
   60   2HB   ALA   9          2HB       ALA   9   7.264  -2.689  -1.665
   61   3HB   ALA   9          3HB       ALA   9   5.721  -1.958  -2.105
   62    H    ARG  10           H        ARG  10   5.887  -1.717   1.674
   63    HA   ARG  10           HA       ARG  10   3.328  -0.327   1.624
   64   1HB   ARG  10          2HB       ARG  10   2.974  -2.112   2.958
   65   2HB   ARG  10          1HB       ARG  10   4.684  -2.484   2.920
   66   1HG   ARG  10          2HG       ARG  10   4.810  -0.583   4.773
   67   2HG   ARG  10          1HG       ARG  10   3.115  -1.018   5.002
   68   1HD   ARG  10          2HD       ARG  10   5.519  -2.862   5.158
   69   2HD   ARG  10          1HD       ARG  10   4.409  -2.428   6.469
   70    HE   ARG  10           HE       ARG  10   3.780  -4.230   4.206
   71   1HH1  ARG  10          1HH1      ARG  10   3.291  -3.658   7.439
   72   2HH1  ARG  10          2HH1      ARG  10   1.591  -3.984   7.438
   73   1HH2  ARG  10          1HH2      ARG  10   1.348  -4.119   3.981
   74   2HH2  ARG  10          2HH2      ARG  10   0.490  -4.244   5.480
   75    H    SER  11           H        SER  11   6.427   0.042   3.291
   76    HA   SER  11           HA       SER  11   5.793   2.093   5.124
   77   1HB   SER  11          2HB       SER  11   8.110   2.236   5.330
   78   2HB   SER  11          1HB       SER  11   7.958   0.669   4.538
   79    HG   SER  11           HG       SER  11   9.477   2.038   3.496
   80    H    ASN  12           H        ASN  12   6.939   2.409   1.735
   81    HA   ASN  12           HA       ASN  12   6.771   5.296   1.722
   82   1HB   ASN  12          2HB       ASN  12   7.312   5.045  -0.590
   83   2HB   ASN  12          1HB       ASN  12   8.112   3.703   0.222
   84   1HD2  ASN  12          1HD2      ASN  12   7.906   1.861  -1.043
   85   2HD2  ASN  12          2HD2      ASN  12   6.504   1.406  -1.881
   86    H    PHE  13           H        PHE  13   4.508   2.692   0.918
   87    HA   PHE  13           HA       PHE  13   2.518   4.223  -0.435
   88   1HB   PHE  13          2HB       PHE  13   2.139   1.944  -0.543
   89   2HB   PHE  13          1HB       PHE  13   2.754   1.664   1.081
   90    HD1  PHE  13           1HD      PHE  13  -0.163   3.094  -0.778
   91    HD2  PHE  13           2HD      PHE  13   1.274   1.385   2.892
   92    HE1  PHE  13           1HE      PHE  13  -2.484   3.001   0.090
   93    HE2  PHE  13           2HE      PHE  13  -1.048   1.292   3.760
   94    HZ   PHE  13           HZ       PHE  13  -2.928   2.102   2.358
   95    H    ASN  14           H        ASN  14   3.084   3.577   2.997
   96    HA   ASN  14           HA       ASN  14   0.787   5.159   3.892
   97   1HB   ASN  14          2HB       ASN  14   3.015   3.542   5.028
   98   2HB   ASN  14          1HB       ASN  14   2.341   4.788   6.081
   99   1HD2  ASN  14          1HD2      ASN  14   1.969   2.020   6.680
  100   2HD2  ASN  14          2HD2      ASN  14   0.326   1.641   6.488
  101    H    VAL  15           H        VAL  15   4.230   5.638   3.366
  102    HA   VAL  15           HA       VAL  15   4.540   8.100   4.804
  103    HB   VAL  15           HB       VAL  15   5.994   6.304   3.088
  104   1HG1  VAL  15          1HG1      VAL  15   7.433   7.869   1.882
  105   2HG1  VAL  15          2HG1      VAL  15   6.491   9.233   2.483
  106   3HG1  VAL  15          3HG1      VAL  15   5.761   8.084   1.364
  107   1HG2  VAL  15          1HG2      VAL  15   6.338   7.803   5.436
  108   2HG2  VAL  15          2HG2      VAL  15   7.594   8.371   4.334
  109   3HG2  VAL  15          3HG2      VAL  15   7.480   6.656   4.734
  110    H    CYS  16           H        CYS  16   3.378   7.325   1.557
  111    HA   CYS  16           HA       CYS  16   3.299  10.120   0.677
  112   1HB   CYS  16          2HB       CYS  16   3.643   8.585  -1.049
  113   2HB   CYS  16          1HB       CYS  16   2.556   7.395  -0.341
  114    H    ARG  17           H        ARG  17   1.135   7.824   2.212
  115    HA   ARG  17           HA       ARG  17  -1.221   9.593   1.870
  116   1HB   ARG  17          2HB       ARG  17  -1.320   7.115   1.547
  117   2HB   ARG  17          1HB       ARG  17  -0.846   6.903   3.232
  118   1HG   ARG  17          2HG       ARG  17  -3.007   8.725   3.248
  119   2HG   ARG  17          1HG       ARG  17  -3.467   7.425   2.148
  120   1HD   ARG  17          2HD       ARG  17  -2.929   5.750   3.887
  121   2HD   ARG  17          1HD       ARG  17  -2.477   7.057   5.000
  122    HE   ARG  17           HE       ARG  17  -5.027   7.733   4.058
  123   1HH1  ARG  17          1HH2      ARG  17  -5.362   4.715   4.071
  124   2HH1  ARG  17          2HH2      ARG  17  -5.978   4.446   5.667
  125   1HH2  ARG  17          1HH1      ARG  17  -5.040   7.570   6.844
  126   2HH2  ARG  17          2HH1      ARG  17  -5.797   6.063   7.236
  127    H    LEU  18           H        LEU  18   1.390   9.623   3.806
  128    HA   LEU  18           HA       LEU  18   0.260   9.767   6.461
  129   1HB   LEU  18          2HB       LEU  18   2.763   9.748   5.112
  130   2HB   LEU  18          1HB       LEU  18   2.727  11.190   6.121
  131    HG   LEU  18           HG       LEU  18   1.948   8.455   7.144
  132   1HD1  LEU  18          1HD1      LEU  18   4.121   7.894   7.310
  133   2HD1  LEU  18          2HD1      LEU  18   4.465   9.393   8.173
  134   3HD1  LEU  18          3HD1      LEU  18   4.540   9.353   6.412
  135   1HD2  LEU  18          1HD2      LEU  18   2.336  11.190   8.298
  136   2HD2  LEU  18          2HD2      LEU  18   2.762   9.802   9.298
  137   3HD2  LEU  18          3HD2      LEU  18   1.117   9.975   8.685
  138    HA   PRO  19           HA       PRO  19   0.612  14.467   5.648
  139   1HB   PRO  19          2HB       PRO  19   0.711  15.323   3.054
  140   2HB   PRO  19          1HB       PRO  19   2.157  14.971   4.018
  141   1HG   PRO  19          2HG       PRO  19   0.853  13.356   1.907
  142   2HG   PRO  19          1HG       PRO  19   2.564  13.503   2.326
  143   1HD   PRO  19          2HD       PRO  19   0.940  11.384   3.016
  144   2HD   PRO  19          1HD       PRO  19   2.459  11.807   3.834
  145    H    GLY  20           H        GLY  20  -0.892  13.570   2.530
  146   1HA   GLY  20          2HA       GLY  20  -3.571  13.695   3.666
  147   2HA   GLY  20          1HA       GLY  20  -3.171  15.115   2.702
  148    H    THR  21           H        THR  21  -1.790  12.016   1.839
  149    HA   THR  21           HA       THR  21  -3.290  12.131  -0.683
  150    HB   THR  21           HB       THR  21  -1.132  10.194   0.141
  151    HG1  THR  21           1HG      THR  21   0.179  11.850  -1.068
  152   1HG2  THR  21          1HG2      THR  21  -0.706  10.242  -2.330
  153   2HG2  THR  21          2HG2      THR  21  -2.122  11.276  -2.507
  154   3HG2  THR  21          3HG2      THR  21  -2.303   9.631  -1.898
  155    HA   PRO  22           HA       PRO  22  -5.901   8.844   0.616
  156   1HB   PRO  22          2HB       PRO  22  -6.829   8.188  -1.873
  157   2HB   PRO  22          1HB       PRO  22  -7.381   9.614  -0.979
  158   1HG   PRO  22          2HG       PRO  22  -5.426   9.419  -3.210
  159   2HG   PRO  22          1HG       PRO  22  -6.615  10.685  -2.860
  160   1HD   PRO  22          2HD       PRO  22  -3.929  10.901  -2.285
  161   2HD   PRO  22          1HD       PRO  22  -5.199  11.787  -1.431
  162    H    GLU  23           H        GLU  23  -5.032   6.936   1.138
  163    HA   GLU  23           HA       GLU  23  -2.797   5.608   0.362
  164   1HB   GLU  23          2HB       GLU  23  -4.083   3.501   0.919
  165   2HB   GLU  23          1HB       GLU  23  -4.291   4.802   2.091
  166   1HG   GLU  23          2HG       GLU  23  -6.275   5.292   0.196
  167   2HG   GLU  23          1HG       GLU  23  -6.278   3.536   0.367
  168    H    ALA  24           H        ALA  24  -5.743   5.817  -1.565
  169    HA   ALA  24           HA       ALA  24  -5.219   3.737  -3.446
  170   1HB   ALA  24          1HB       ALA  24  -7.367   4.891  -3.208
  171   2HB   ALA  24          2HB       ALA  24  -6.779   5.099  -4.857
  172   3HB   ALA  24          3HB       ALA  24  -6.627   6.416  -3.694
  173    H    LEU  25           H        LEU  25  -4.350   7.219  -3.490
  174    HA   LEU  25           HA       LEU  25  -2.957   7.093  -6.021
  175   1HB   LEU  25          2HB       LEU  25  -3.919   9.010  -4.322
  176   2HB   LEU  25          1HB       LEU  25  -2.186   9.121  -4.011
  177    HG   LEU  25           HG       LEU  25  -2.895   8.887  -6.860
  178   1HD1  LEU  25          1HD1      LEU  25  -3.994  10.905  -7.150
  179   2HD1  LEU  25          2HD1      LEU  25  -3.354  11.586  -5.654
  180   3HD1  LEU  25          3HD1      LEU  25  -4.668  10.411  -5.596
  181   1HD2  LEU  25          1HD2      LEU  25  -1.216  10.885  -5.311
  182   2HD2  LEU  25          2HD2      LEU  25  -1.167  10.599  -7.051
  183   3HD2  LEU  25          3HD2      LEU  25  -0.613   9.350  -5.936
  184    H    CYS  26           H        CYS  26  -1.948   6.764  -2.630
  185    HA   CYS  26           HA       CYS  26   0.900   6.739  -3.198
  186   1HB   CYS  26          2HB       CYS  26  -0.729   5.731  -0.842
  187   2HB   CYS  26          1HB       CYS  26   1.004   6.055  -0.827
  188    H    ALA  27           H        ALA  27  -1.633   4.322  -3.240
  189    HA   ALA  27           HA       ALA  27   0.350   2.122  -3.264
  190   1HB   ALA  27          1HB       ALA  27  -2.626   2.416  -2.994
  191   2HB   ALA  27          2HB       ALA  27  -1.501   1.597  -1.912
  192   3HB   ALA  27          3HB       ALA  27  -1.957   0.848  -3.441
  193    H    THR  28           H        THR  28  -1.307   4.117  -5.344
  194    HA   THR  28           HA       THR  28  -1.309   2.237  -7.638
  195    HB   THR  28           HB       THR  28  -2.483   4.878  -6.870
  196    HG1  THR  28           1HG      THR  28  -3.817   3.157  -6.727
  197   1HG2  THR  28          1HG2      THR  28  -1.611   5.669  -8.873
  198   2HG2  THR  28          2HG2      THR  28  -3.175   5.035  -9.384
  199   3HG2  THR  28          3HG2      THR  28  -1.709   4.093  -9.657
  200    H    TYR  29           H        TYR  29   0.486   4.832  -6.215
  201    HA   TYR  29           HA       TYR  29   2.074   5.290  -8.695
  202   1HB   TYR  29          2HB       TYR  29   1.112   7.166  -7.320
  203   2HB   TYR  29          1HB       TYR  29   2.122   6.640  -5.973
  204    HD1  TYR  29           1HD      TYR  29   3.599   8.494  -5.756
  205    HD2  TYR  29           2HD      TYR  29   3.043   6.622  -9.580
  206    HE1  TYR  29           1HE      TYR  29   5.497   9.802  -6.671
  207    HE2  TYR  29           2HE      TYR  29   4.941   7.929 -10.496
  208    HH   TYR  29           HH       TYR  29   6.633  10.350  -8.508
  209    H    THR  30           H        THR  30   2.147   3.705  -5.611
  210    HA   THR  30           HA       THR  30   5.079   3.225  -5.905
  211    HB   THR  30           HB       THR  30   3.740   4.315  -3.845
  212    HG1  THR  30           1HG      THR  30   6.091   3.533  -4.290
  213   1HG2  THR  30          1HG2      THR  30   2.485   2.073  -3.619
  214   2HG2  THR  30          2HG2      THR  30   3.167   2.785  -2.155
  215   3HG2  THR  30          3HG2      THR  30   3.998   1.451  -2.958
  216    H    GLY  31           H        GLY  31   2.070   1.738  -6.361
  217   1HA   GLY  31          2HA       GLY  31   2.016  -0.504  -7.340
  218   2HA   GLY  31          1HA       GLY  31   3.417  -0.926  -6.359
  219    H    CYS  32           H        CYS  32   2.338   0.218  -3.884
  220    HA   CYS  32           HA       CYS  32   1.138  -1.972  -2.667
  221   1HB   CYS  32          2HB       CYS  32   1.679   0.740  -2.106
  222   2HB   CYS  32          1HB       CYS  32  -0.019   0.500  -1.696
  223    H    ILE  33           H        ILE  33  -1.243  -1.973  -1.792
  224    HA   ILE  33           HA       ILE  33  -3.252  -0.847  -3.631
  225    HB   ILE  33           HB       ILE  33  -4.096  -3.159  -4.179
  226   1HG1  ILE  33          2HG1      ILE  33  -1.393  -4.037  -3.128
  227   2HG1  ILE  33          1HG1      ILE  33  -2.894  -4.223  -2.221
  228   1HG2  ILE  33          1HG2      ILE  33  -2.565  -3.488  -5.974
  229   2HG2  ILE  33          2HG2      ILE  33  -1.224  -2.804  -5.054
  230   3HG2  ILE  33          3HG2      ILE  33  -2.516  -1.757  -5.641
  231   1HD1  ILE  33          1HD1      ILE  33  -1.848  -5.899  -4.306
  232   2HD1  ILE  33          2HD1      ILE  33  -3.384  -5.214  -4.836
  233   3HD1  ILE  33          3HD1      ILE  33  -3.300  -6.133  -3.334
  234    H    ILE  34           H        ILE  34  -5.311  -0.824  -2.666
  235    HA   ILE  34           HA       ILE  34  -5.409  -1.766   0.169
  236    HB   ILE  34           HB       ILE  34  -7.005   0.293  -1.388
  237   1HG1  ILE  34          2HG1      ILE  34  -5.672   1.658   0.522
  238   2HG1  ILE  34          1HG1      ILE  34  -4.523   0.353   0.247
  239   1HG2  ILE  34          1HG2      ILE  34  -6.939   0.031   1.608
  240   2HG2  ILE  34          2HG2      ILE  34  -8.050  -0.963   0.666
  241   3HG2  ILE  34          3HG2      ILE  34  -8.157   0.795   0.588
  242   1HD1  ILE  34          1HD1      ILE  34  -4.106   2.314  -1.234
  243   2HD1  ILE  34          2HD1      ILE  34  -5.708   2.089  -1.936
  244   3HD1  ILE  34          3HD1      ILE  34  -4.473   0.847  -2.141
  245    H    ILE  35           H        ILE  35  -7.031  -3.190   0.796
  246    HA   ILE  35           HA       ILE  35  -9.336  -3.738  -0.935
  247    HB   ILE  35           HB       ILE  35  -8.572  -6.222  -1.047
  248   1HG1  ILE  35          2HG1      ILE  35  -5.983  -6.261  -1.243
  249   2HG1  ILE  35          1HG1      ILE  35  -6.023  -4.796  -0.266
  250   1HG2  ILE  35          1HG2      ILE  35  -8.608  -4.371  -2.889
  251   2HG2  ILE  35          2HG2      ILE  35  -7.686  -5.845  -3.184
  252   3HG2  ILE  35          3HG2      ILE  35  -6.856  -4.371  -2.685
  253   1HD1  ILE  35          1HD1      ILE  35  -6.501  -5.952   1.615
  254   2HD1  ILE  35          2HD1      ILE  35  -6.069  -7.400   0.705
  255   3HD1  ILE  35          3HD1      ILE  35  -7.755  -6.892   0.807
  256    HA   PRO  36           HA       PRO  36 -10.736  -4.682   3.157
  257   1HB   PRO  36          2HB       PRO  36 -13.291  -5.381   2.483
  258   2HB   PRO  36          1HB       PRO  36 -12.733  -3.697   2.527
  259   1HG   PRO  36          2HG       PRO  36 -13.156  -5.490   0.199
  260   2HG   PRO  36          1HG       PRO  36 -13.420  -3.747   0.346
  261   1HD   PRO  36          2HD       PRO  36 -11.245  -4.902  -0.889
  262   2HD   PRO  36          1HD       PRO  36 -11.274  -3.254  -0.227
  263    H    GLY  37           H        GLY  37  -9.171  -6.664   2.805
  264   1HA   GLY  37          2HA       GLY  37 -10.356  -9.018   3.712
  265   2HA   GLY  37          1HA       GLY  37 -10.330  -9.173   1.958
  266    H    ALA  38           H        ALA  38  -8.764 -10.424   4.285
  267    HA   ALA  38           HA       ALA  38  -5.972  -9.683   3.687
  268   1HB   ALA  38          1HB       ALA  38  -7.289 -11.800   5.415
  269   2HB   ALA  38          2HB       ALA  38  -6.687 -10.233   5.958
  270   3HB   ALA  38          3HB       ALA  38  -5.557 -11.467   5.396
  271    H    THR  39           H        THR  39  -8.035 -11.173   1.813
  272    HA   THR  39           HA       THR  39  -6.704 -13.723   1.299
  273    HB   THR  39           HB       THR  39  -9.191 -12.851   1.036
  274    HG1  THR  39           1HG      THR  39  -8.901 -14.932   0.629
  275   1HG2  THR  39          1HG2      THR  39  -9.776 -11.932  -0.990
  276   2HG2  THR  39          2HG2      THR  39  -8.408 -12.661  -1.832
  277   3HG2  THR  39          3HG2      THR  39  -8.162 -11.246  -0.810
  278    H    CYS  40           H        CYS  40  -5.604 -10.796   0.825
  279    HA   CYS  40           HA       CYS  40  -4.967 -10.194  -1.777
  280   1HB   CYS  40          2HB       CYS  40  -3.710  -9.978   0.860
  281   2HB   CYS  40          1HB       CYS  40  -2.527  -9.996  -0.448
  282    HA   PRO  41           HA       PRO  41  -2.725 -13.512  -3.557
  283   1HB   PRO  41          2HB       PRO  41  -0.792 -12.199  -4.988
  284   2HB   PRO  41          1HB       PRO  41  -2.499 -12.237  -5.469
  285   1HG   PRO  41          2HG       PRO  41  -0.979 -10.093  -4.069
  286   2HG   PRO  41          1HG       PRO  41  -2.207  -9.959  -5.337
  287   1HD   PRO  41          2HD       PRO  41  -2.736  -9.506  -2.713
  288   2HD   PRO  41          1HD       PRO  41  -3.949 -10.132  -3.854
  289    H    GLY  42           H        GLY  42  -0.441 -14.479  -3.675
  290   1HA   GLY  42          2HA       GLY  42   0.830 -14.187  -1.064
  291   2HA   GLY  42          1HA       GLY  42   1.313 -15.314  -2.327
  292    H    ASP  43           H        ASP  43   1.054 -12.269  -3.696
  293    HA   ASP  43           HA       ASP  43   4.004 -11.847  -3.375
  294   1HB   ASP  43          2HB       ASP  43   3.834 -10.818  -5.613
  295   2HB   ASP  43          1HB       ASP  43   3.159 -12.447  -5.635
  296    H    TYR  44           H        TYR  44   0.857 -10.496  -2.924
  297    HA   TYR  44           HA       TYR  44   2.087  -7.871  -2.147
  298   1HB   TYR  44          2HB       TYR  44  -0.683  -8.468  -3.240
  299   2HB   TYR  44          1HB       TYR  44  -0.020  -6.869  -2.909
  300    HD1  TYR  44           1HD      TYR  44  -1.039  -8.129  -5.617
  301    HD2  TYR  44           2HD      TYR  44   2.839  -7.553  -3.869
  302    HE1  TYR  44           1HE      TYR  44  -0.031  -8.063  -7.882
  303    HE2  TYR  44           2HE      TYR  44   3.851  -7.487  -6.133
  304    HH   TYR  44           HH       TYR  44   2.930  -8.591  -8.590
  305    H    ALA  45           H        ALA  45   1.254 -10.541  -0.716
  306    HA   ALA  45           HA       ALA  45  -0.837  -9.578   1.141
  307   1HB   ALA  45          1HB       ALA  45   0.210 -12.005   2.036
  308   2HB   ALA  45          2HB       ALA  45   0.407 -12.079   0.285
  309   3HB   ALA  45          3HB       ALA  45  -1.190 -11.811   0.981
  310    H    ASN  46           H        ASN  46   1.806  -8.194   1.085
  311    HA   ASN  46           HA       ASN  46   2.317  -8.244   3.974
  312   1HB   ASN  46          2HB       ASN  46   4.539  -9.109   3.848
  313   2HB   ASN  46          1HB       ASN  46   3.561 -10.198   2.866
  314   1HD2  ASN  46          1HD2      ASN  46   6.514  -9.408   2.646
  315   2HD2  ASN  46          2HD2      ASN  46   6.691  -8.890   1.040
  Start of MODEL    5
    1   1H    THR   1          1HT       THR   1  -9.743  -3.042   2.325
    2   2H    THR   1          2HT       THR   1  -8.970  -1.682   1.666
    3   3H    THR   1          3HT       THR   1  -9.567  -1.634   3.255
    4    HA   THR   1           HA       THR   1  -7.573  -2.271   3.991
    5    HB   THR   1           HB       THR   1  -8.498  -4.645   2.364
    6    HG1  THR   1           1HG      THR   1  -9.434  -5.117   4.172
    7   1HG2  THR   1          1HG2      THR   1  -6.123  -4.912   2.388
    8   2HG2  THR   1          2HG2      THR   1  -6.739  -5.923   3.695
    9   3HG2  THR   1          3HG2      THR   1  -6.010  -4.359   4.059
   10    H    THR   2           H        THR   2  -5.275  -2.666   3.383
   11    HA   THR   2           HA       THR   2  -4.725  -2.078   0.493
   12    HB   THR   2           HB       THR   2  -3.414  -0.978   3.000
   13    HG1  THR   2           1HG      THR   2  -4.712   0.637   2.726
   14   1HG2  THR   2          1HG2      THR   2  -1.633  -0.860   1.576
   15   2HG2  THR   2          2HG2      THR   2  -2.493   0.556   0.974
   16   3HG2  THR   2          3HG2      THR   2  -2.643  -0.989   0.136
   17    H    CYS   3           H        CYS   3  -2.550  -2.827  -0.202
   18    HA   CYS   3           HA       CYS   3  -1.235  -4.814   1.580
   19   1HB   CYS   3          2HB       CYS   3  -2.772  -5.312  -0.943
   20   2HB   CYS   3          1HB       CYS   3  -1.359  -6.313  -0.613
   21    H    CYS   4           H        CYS   4   0.910  -5.398   0.806
   22    HA   CYS   4           HA       CYS   4   1.971  -3.886  -1.521
   23   1HB   CYS   4          2HB       CYS   4   3.004  -3.683   1.328
   24   2HB   CYS   4          1HB       CYS   4   3.746  -2.922  -0.078
   25    HA   PRO   5           HA       PRO   5   3.990  -7.820  -1.753
   26   1HB   PRO   5          2HB       PRO   5   5.376  -7.336  -4.052
   27   2HB   PRO   5          1HB       PRO   5   3.638  -7.685  -4.022
   28   1HG   PRO   5          2HG       PRO   5   5.043  -5.103  -4.369
   29   2HG   PRO   5          1HG       PRO   5   3.510  -5.660  -5.055
   30   1HD   PRO   5          2HD       PRO   5   3.769  -3.923  -2.911
   31   2HD   PRO   5          1HD       PRO   5   2.312  -4.859  -3.305
   32    H    SER   6           H        SER   6   5.373  -5.434  -0.242
   33    HA   SER   6           HA       SER   6   7.873  -6.713   0.200
   34   1HB   SER   6          2HB       SER   6   9.057  -4.661  -1.164
   35   2HB   SER   6          1HB       SER   6   8.785  -6.263  -1.840
   36    HG   SER   6           HG       SER   6   7.818  -3.997  -2.705
   37    H    ILE   7           H        ILE   7   9.404  -5.304   1.432
   38    HA   ILE   7           HA       ILE   7   8.052  -3.644   3.348
   39    HB   ILE   7           HB       ILE   7  10.996  -3.851   2.619
   40   1HG1  ILE   7          2HG1      ILE   7   9.520  -5.401   4.752
   41   2HG1  ILE   7          1HG1      ILE   7   9.696  -6.024   3.113
   42   1HG2  ILE   7          1HG2      ILE   7  11.044  -3.453   5.232
   43   2HG2  ILE   7          2HG2      ILE   7   9.464  -2.725   4.941
   44   3HG2  ILE   7          3HG2      ILE   7  10.894  -2.083   4.131
   45   1HD1  ILE   7          1HD1      ILE   7  11.914  -5.315   5.051
   46   2HD1  ILE   7          2HD1      ILE   7  12.190  -5.677   3.348
   47   3HD1  ILE   7          3HD1      ILE   7  11.521  -6.913   4.414
   48    H    VAL   8           H        VAL   8   9.752  -2.998   0.338
   49    HA   VAL   8           HA       VAL   8  10.060  -0.149   0.663
   50    HB   VAL   8           HB       VAL   8   9.750  -1.895  -1.806
   51   1HG1  VAL   8          1HG1      VAL   8  11.474   0.366  -2.159
   52   2HG1  VAL   8          2HG1      VAL   8   9.934   0.936  -1.516
   53   3HG1  VAL   8          3HG1      VAL   8   9.973  -0.004  -3.006
   54   1HG2  VAL   8          1HG2      VAL   8  11.602  -2.427  -0.092
   55   2HG2  VAL   8          2HG2      VAL   8  12.313  -0.884  -0.564
   56   3HG2  VAL   8          3HG2      VAL   8  12.112  -2.164  -1.759
   57    H    ALA   9           H        ALA   9   7.617  -2.121  -1.053
   58    HA   ALA   9           HA       ALA   9   5.878  -0.039  -1.865
   59   1HB   ALA   9          1HB       ALA   9   5.399  -2.900  -0.962
   60   2HB   ALA   9          2HB       ALA   9   5.679  -2.347  -2.613
   61   3HB   ALA   9          3HB       ALA   9   4.185  -1.921  -1.783
   62    H    ARG  10           H        ARG  10   5.332  -2.186   0.953
   63    HA   ARG  10           HA       ARG  10   3.390  -0.662   2.276
   64   1HB   ARG  10          2HB       ARG  10   4.400  -3.000   2.698
   65   2HB   ARG  10          1HB       ARG  10   5.645  -2.161   3.622
   66   1HG   ARG  10          2HG       ARG  10   3.965  -2.765   5.206
   67   2HG   ARG  10          1HG       ARG  10   3.729  -1.042   4.898
   68   1HD   ARG  10          2HD       ARG  10   1.593  -1.526   4.322
   69   2HD   ARG  10          1HD       ARG  10   2.232  -2.390   2.913
   70    HE   ARG  10           HE       ARG  10   2.124  -4.446   4.151
   71   1HH1  ARG  10          1HH1      ARG  10   2.968  -3.436   6.830
   72   2HH1  ARG  10          2HH1      ARG  10   1.505  -3.555   7.750
   73   1HH2  ARG  10          1HH2      ARG  10  -0.538  -3.840   4.963
   74   2HH2  ARG  10          2HH2      ARG  10  -0.478  -3.783   6.693
   75    H    SER  11           H        SER  11   6.809  -0.075   1.947
   76    HA   SER  11           HA       SER  11   7.037   1.765   4.200
   77   1HB   SER  11          2HB       SER  11   9.034   0.701   3.663
   78   2HB   SER  11          1HB       SER  11   8.720   0.766   1.932
   79    HG   SER  11           HG       SER  11  10.197   2.398   3.342
   80    H    ASN  12           H        ASN  12   7.463   2.298   0.671
   81    HA   ASN  12           HA       ASN  12   7.233   5.142   0.806
   82   1HB   ASN  12          2HB       ASN  12   6.680   4.789  -1.693
   83   2HB   ASN  12          1HB       ASN  12   8.210   4.143  -1.115
   84   1HD2  ASN  12          1HD2      ASN  12   8.520   2.192  -2.198
   85   2HD2  ASN  12          2HD2      ASN  12   7.351   0.973  -2.350
   86    H    PHE  13           H        PHE  13   4.790   2.607   0.334
   87    HA   PHE  13           HA       PHE  13   2.581   4.264  -0.360
   88   1HB   PHE  13          2HB       PHE  13   2.234   1.976  -0.632
   89   2HB   PHE  13          1HB       PHE  13   3.035   1.572   0.886
   90    HD1  PHE  13           1HD      PHE  13   1.361   0.265   1.973
   91    HD2  PHE  13           2HD      PHE  13   0.377   4.125   0.370
   92    HE1  PHE  13           1HE      PHE  13  -0.834   0.185   3.126
   93    HE2  PHE  13           2HE      PHE  13  -1.812   4.049   1.522
   94    HZ   PHE  13           HZ       PHE  13  -2.422   2.077   2.900
   95    H    ASN  14           H        ASN  14   3.755   3.204   2.852
   96    HA   ASN  14           HA       ASN  14   1.697   4.583   4.340
   97   1HB   ASN  14          2HB       ASN  14   2.900   3.761   6.183
   98   2HB   ASN  14          1HB       ASN  14   3.373   2.632   4.920
   99   1HD2  ASN  14          1HD2      ASN  14   5.547   2.182   5.229
  100   2HD2  ASN  14          2HD2      ASN  14   6.752   3.339   5.534
  101    H    VAL  15           H        VAL  15   4.770   5.435   2.985
  102    HA   VAL  15           HA       VAL  15   5.280   7.851   4.449
  103    HB   VAL  15           HB       VAL  15   6.365   6.206   2.369
  104   1HG1  VAL  15          1HG1      VAL  15   5.660   7.867   0.735
  105   2HG1  VAL  15          2HG1      VAL  15   7.407   7.972   0.953
  106   3HG1  VAL  15          3HG1      VAL  15   6.351   9.164   1.708
  107   1HG2  VAL  15          1HG2      VAL  15   8.423   7.651   2.988
  108   2HG2  VAL  15          2HG2      VAL  15   7.672   6.676   4.252
  109   3HG2  VAL  15          3HG2      VAL  15   7.347   8.407   4.164
  110    H    CYS  16           H        CYS  16   3.165   7.090   1.772
  111    HA   CYS  16           HA       CYS  16   2.834   9.938   1.030
  112   1HB   CYS  16          2HB       CYS  16   2.951   8.403  -0.771
  113   2HB   CYS  16          1HB       CYS  16   1.870   7.262   0.024
  114    H    ARG  17           H        ARG  17   1.232   7.494   2.946
  115    HA   ARG  17           HA       ARG  17  -1.314   8.996   3.066
  116   1HB   ARG  17          2HB       ARG  17  -0.479   6.322   3.285
  117   2HB   ARG  17          1HB       ARG  17  -0.959   6.777   4.920
  118   1HG   ARG  17          2HG       ARG  17  -3.120   7.623   4.031
  119   2HG   ARG  17          1HG       ARG  17  -2.643   7.089   2.418
  120   1HD   ARG  17          2HD       ARG  17  -2.914   4.844   2.930
  121   2HD   ARG  17          1HD       ARG  17  -2.532   5.085   4.647
  122    HE   ARG  17           HE       ARG  17  -4.955   6.486   3.847
  123   1HH1  ARG  17          1HH2      ARG  17  -3.754   4.408   6.093
  124   2HH1  ARG  17          2HH2      ARG  17  -5.146   3.380   6.194
  125   1HH2  ARG  17          1HH1      ARG  17  -6.694   4.761   3.416
  126   2HH2  ARG  17          2HH1      ARG  17  -6.809   3.579   4.677
  127    H    LEU  18           H        LEU  18   1.634   9.427   4.409
  128    HA   LEU  18           HA       LEU  18   1.163   9.605   7.219
  129   1HB   LEU  18          2HB       LEU  18   3.197  10.016   5.285
  130   2HB   LEU  18          1HB       LEU  18   3.085  11.500   6.225
  131    HG   LEU  18           HG       LEU  18   3.420   8.700   7.333
  132   1HD1  LEU  18          1HD1      LEU  18   5.262  11.093   7.100
  133   2HD1  LEU  18          2HD1      LEU  18   5.510   9.474   6.448
  134   3HD1  LEU  18          3HD1      LEU  18   5.585   9.744   8.188
  135   1HD2  LEU  18          1HD2      LEU  18   2.000  10.379   8.678
  136   2HD2  LEU  18          2HD2      LEU  18   3.488  11.303   8.874
  137   3HD2  LEU  18          3HD2      LEU  18   3.377   9.663   9.512
  138    HA   PRO  19           HA       PRO  19   0.235  14.202   6.342
  139   1HB   PRO  19          2HB       PRO  19  -0.310  14.949   3.770
  140   2HB   PRO  19          1HB       PRO  19   1.323  14.974   4.464
  141   1HG   PRO  19          2HG       PRO  19   0.084  13.017   2.618
  142   2HG   PRO  19          1HG       PRO  19   1.763  13.560   2.732
  143   1HD   PRO  19          2HD       PRO  19   0.802  11.161   3.703
  144   2HD   PRO  19          1HD       PRO  19   2.301  11.948   4.238
  145    H    GLY  20           H        GLY  20  -1.521  12.923   3.524
  146   1HA   GLY  20          2HA       GLY  20  -3.892  12.246   4.995
  147   2HA   GLY  20          1HA       GLY  20  -4.054  13.858   4.294
  148    H    THR  21           H        THR  21  -2.134  11.394   2.690
  149    HA   THR  21           HA       THR  21  -3.840  11.615   0.347
  150    HB   THR  21           HB       THR  21  -1.567   9.693   0.727
  151    HG1  THR  21           1HG      THR  21  -0.140  11.303   0.592
  152   1HG2  THR  21          1HG2      THR  21  -1.193  10.532  -1.691
  153   2HG2  THR  21          2HG2      THR  21  -2.795  11.240  -1.550
  154   3HG2  THR  21          3HG2      THR  21  -2.586   9.496  -1.392
  155    HA   PRO  22           HA       PRO  22  -6.103   7.954   1.249
  156   1HB   PRO  22          2HB       PRO  22  -7.141   7.613  -1.261
  157   2HB   PRO  22          1HB       PRO  22  -7.747   8.830  -0.124
  158   1HG   PRO  22          2HG       PRO  22  -5.941   9.157  -2.462
  159   2HG   PRO  22          1HG       PRO  22  -7.194  10.245  -1.843
  160   1HD   PRO  22          2HD       PRO  22  -4.491  10.586  -1.396
  161   2HD   PRO  22          1HD       PRO  22  -5.761  11.238  -0.351
  162    H    GLU  23           H        GLU  23  -5.163   5.988   1.330
  163    HA   GLU  23           HA       GLU  23  -2.826   5.100   0.228
  164   1HB   GLU  23          2HB       GLU  23  -3.481   3.293   1.426
  165   2HB   GLU  23          1HB       GLU  23  -5.038   4.080   1.640
  166   1HG   GLU  23          2HG       GLU  23  -5.656   2.033   0.722
  167   2HG   GLU  23          1HG       GLU  23  -5.576   3.049  -0.714
  168    H    ALA  24           H        ALA  24  -5.855   5.487  -1.487
  169    HA   ALA  24           HA       ALA  24  -5.398   3.776  -3.725
  170   1HB   ALA  24          1HB       ALA  24  -7.411   4.664  -4.262
  171   2HB   ALA  24          2HB       ALA  24  -6.726   6.288  -4.352
  172   3HB   ALA  24          3HB       ALA  24  -7.278   5.649  -2.804
  173    H    LEU  25           H        LEU  25  -4.710   7.278  -3.320
  174    HA   LEU  25           HA       LEU  25  -3.357   7.535  -5.856
  175   1HB   LEU  25          2HB       LEU  25  -4.350   9.162  -3.839
  176   2HB   LEU  25          1HB       LEU  25  -2.606   9.400  -3.722
  177    HG   LEU  25           HG       LEU  25  -3.443   9.371  -6.496
  178   1HD1  LEU  25          1HD1      LEU  25  -5.579  10.195  -5.473
  179   2HD1  LEU  25          2HD1      LEU  25  -4.796  11.391  -6.507
  180   3HD1  LEU  25          3HD1      LEU  25  -4.673  11.526  -4.753
  181   1HD2  LEU  25          1HD2      LEU  25  -1.370  10.365  -5.218
  182   2HD2  LEU  25          2HD2      LEU  25  -2.418  11.766  -4.996
  183   3HD2  LEU  25          3HD2      LEU  25  -2.012  11.218  -6.622
  184    H    CYS  26           H        CYS  26  -2.284   6.640  -2.603
  185    HA   CYS  26           HA       CYS  26   0.556   6.976  -3.208
  186   1HB   CYS  26          2HB       CYS  26  -0.768   5.386  -0.993
  187   2HB   CYS  26          1HB       CYS  26   0.846   6.085  -0.987
  188    H    ALA  27           H        ALA  27  -1.654   4.156  -2.925
  189    HA   ALA  27           HA       ALA  27   0.387   2.229  -3.568
  190   1HB   ALA  27          1HB       ALA  27  -2.111   1.199  -4.305
  191   2HB   ALA  27          2HB       ALA  27  -2.465   2.359  -3.029
  192   3HB   ALA  27          3HB       ALA  27  -1.346   1.033  -2.725
  193    H    THR  28           H        THR  28  -1.271   4.491  -5.375
  194    HA   THR  28           HA       THR  28  -1.292   3.119  -7.947
  195    HB   THR  28           HB       THR  28  -2.360   5.429  -6.699
  196    HG1  THR  28           1HG      THR  28  -3.472   5.527  -8.771
  197   1HG2  THR  28          1HG2      THR  28  -0.502   6.769  -7.514
  198   2HG2  THR  28          2HG2      THR  28  -1.950   7.164  -8.442
  199   3HG2  THR  28          3HG2      THR  28  -0.710   6.122  -9.141
  200    H    TYR  29           H        TYR  29   0.678   5.690  -6.450
  201    HA   TYR  29           HA       TYR  29   2.642   5.545  -8.677
  202   1HB   TYR  29          2HB       TYR  29   1.648   7.659  -7.564
  203   2HB   TYR  29          1HB       TYR  29   2.710   7.288  -6.206
  204    HD1  TYR  29           1HD      TYR  29   3.318   6.792  -9.851
  205    HD2  TYR  29           2HD      TYR  29   4.381   8.966  -6.305
  206    HE1  TYR  29           1HE      TYR  29   5.210   7.842 -11.065
  207    HE2  TYR  29           2HE      TYR  29   6.275  10.014  -7.516
  208    HH   TYR  29           HH       TYR  29   6.568  10.307 -10.565
  209    H    THR  30           H        THR  30   2.447   5.069  -5.168
  210    HA   THR  30           HA       THR  30   5.212   4.379  -4.796
  211    HB   THR  30           HB       THR  30   3.174   5.073  -3.210
  212    HG1  THR  30           1HG      THR  30   4.790   5.010  -1.910
  213   1HG2  THR  30          1HG2      THR  30   2.138   3.318  -2.087
  214   2HG2  THR  30          2HG2      THR  30   3.376   2.154  -2.559
  215   3HG2  THR  30          3HG2      THR  30   2.194   2.710  -3.742
  216    H    GLY  31           H        GLY  31   2.342   2.483  -5.665
  217   1HA   GLY  31          2HA       GLY  31   2.967   0.458  -7.079
  218   2HA   GLY  31          1HA       GLY  31   4.118   0.072  -5.801
  219    H    CYS  32           H        CYS  32   2.602   0.480  -3.509
  220    HA   CYS  32           HA       CYS  32   1.251  -1.896  -3.064
  221   1HB   CYS  32          2HB       CYS  32   0.779   0.906  -2.016
  222   2HB   CYS  32          1HB       CYS  32  -0.030  -0.503  -1.330
  223    H    ILE  33           H        ILE  33  -1.213  -2.176  -2.737
  224    HA   ILE  33           HA       ILE  33  -2.838  -0.637  -4.707
  225    HB   ILE  33           HB       ILE  33  -3.643  -2.933  -5.544
  226   1HG1  ILE  33          2HG1      ILE  33  -1.067  -4.142  -4.862
  227   2HG1  ILE  33          1HG1      ILE  33  -2.056  -3.819  -3.438
  228   1HG2  ILE  33          1HG2      ILE  33  -1.705  -3.163  -7.069
  229   2HG2  ILE  33          2HG2      ILE  33  -0.762  -2.108  -6.016
  230   3HG2  ILE  33          3HG2      ILE  33  -2.169  -1.473  -6.868
  231   1HD1  ILE  33          1HD1      ILE  33  -2.631  -5.605  -5.778
  232   2HD1  ILE  33          2HD1      ILE  33  -3.979  -4.866  -4.913
  233   3HD1  ILE  33          3HD1      ILE  33  -2.851  -5.916  -4.056
  234    H    ILE  34           H        ILE  34  -5.087  -0.678  -4.216
  235    HA   ILE  34           HA       ILE  34  -5.756  -1.346  -1.444
  236    HB   ILE  34           HB       ILE  34  -7.111  -0.087  -3.826
  237   1HG1  ILE  34          2HG1      ILE  34  -7.357   1.738  -2.001
  238   2HG1  ILE  34          1HG1      ILE  34  -6.207   0.774  -1.077
  239   1HG2  ILE  34          1HG2      ILE  34  -8.913  -1.337  -2.864
  240   2HG2  ILE  34          2HG2      ILE  34  -9.071   0.304  -2.239
  241   3HG2  ILE  34          3HG2      ILE  34  -8.385  -0.964  -1.223
  242   1HD1  ILE  34          1HD1      ILE  34  -5.743   1.848  -3.872
  243   2HD1  ILE  34          2HD1      ILE  34  -4.592   0.903  -2.927
  244   3HD1  ILE  34          3HD1      ILE  34  -5.056   2.518  -2.393
  245    H    ILE  35           H        ILE  35  -6.963  -3.109  -0.767
  246    HA   ILE  35           HA       ILE  35  -8.103  -4.919  -2.865
  247    HB   ILE  35           HB       ILE  35  -7.132  -6.804  -1.570
  248   1HG1  ILE  35          2HG1      ILE  35  -5.209  -5.384  -0.014
  249   2HG1  ILE  35          1HG1      ILE  35  -6.796  -4.722   0.375
  250   1HG2  ILE  35          1HG2      ILE  35  -5.705  -4.830  -3.091
  251   2HG2  ILE  35          2HG2      ILE  35  -5.396  -6.563  -2.982
  252   3HG2  ILE  35          3HG2      ILE  35  -4.638  -5.458  -1.835
  253   1HD1  ILE  35          1HD1      ILE  35  -6.899  -7.618   0.165
  254   2HD1  ILE  35          2HD1      ILE  35  -7.377  -6.580   1.509
  255   3HD1  ILE  35          3HD1      ILE  35  -5.702  -7.108   1.356
  256    HA   PRO  36           HA       PRO  36 -11.494  -4.671  -0.012
  257   1HB   PRO  36          2HB       PRO  36 -13.187  -6.322  -1.380
  258   2HB   PRO  36          1HB       PRO  36 -12.858  -4.652  -1.880
  259   1HG   PRO  36          2HG       PRO  36 -11.845  -7.195  -3.003
  260   2HG   PRO  36          1HG       PRO  36 -12.187  -5.659  -3.809
  261   1HD   PRO  36          2HD       PRO  36  -9.663  -6.586  -3.101
  262   2HD   PRO  36          1HD       PRO  36 -10.074  -4.904  -3.496
  263    H    GLY  37           H        GLY  37  -9.365  -7.140  -0.340
  264   1HA   GLY  37          2HA       GLY  37 -10.938  -9.246   0.985
  265   2HA   GLY  37          1HA       GLY  37  -9.244  -9.359   0.510
  266    H    ALA  38           H        ALA  38  -8.309  -9.918   2.429
  267    HA   ALA  38           HA       ALA  38  -8.215  -7.841   4.531
  268   1HB   ALA  38          1HB       ALA  38  -9.884  -8.880   5.664
  269   2HB   ALA  38          2HB       ALA  38  -8.694 -10.134   6.013
  270   3HB   ALA  38          3HB       ALA  38  -9.787 -10.315   4.641
  271    H    THR  39           H        THR  39  -7.297 -11.228   3.753
  272    HA   THR  39           HA       THR  39  -4.675 -10.715   5.053
  273    HB   THR  39           HB       THR  39  -6.453 -12.735   5.356
  274    HG1  THR  39           1HG      THR  39  -4.945 -13.181   6.711
  275   1HG2  THR  39          1HG2      THR  39  -5.697 -14.711   4.184
  276   2HG2  THR  39          2HG2      THR  39  -4.394 -13.806   3.413
  277   3HG2  THR  39          3HG2      THR  39  -6.073 -13.469   2.990
  278    H    CYS  40           H        CYS  40  -5.963 -10.427   2.105
  279    HA   CYS  40           HA       CYS  40  -5.113 -10.458  -0.108
  280   1HB   CYS  40          2HB       CYS  40  -3.195  -9.444   1.837
  281   2HB   CYS  40          1HB       CYS  40  -2.388 -10.076   0.402
  282    HA   PRO  41           HA       PRO  41  -3.225 -14.261  -1.245
  283   1HB   PRO  41          2HB       PRO  41  -1.403 -13.571  -3.170
  284   2HB   PRO  41          1HB       PRO  41  -3.156 -13.516  -3.440
  285   1HG   PRO  41          2HG       PRO  41  -1.262 -11.304  -2.828
  286   2HG   PRO  41          1HG       PRO  41  -2.654 -11.329  -3.922
  287   1HD   PRO  41          2HD       PRO  41  -2.712 -10.202  -1.436
  288   2HD   PRO  41          1HD       PRO  41  -4.144 -10.869  -2.250
  289    H    GLY  42           H        GLY  42  -0.538 -14.784  -2.088
  290   1HA   GLY  42          2HA       GLY  42   0.863 -14.445   0.511
  291   2HA   GLY  42          1HA       GLY  42   1.260 -15.649  -0.714
  292    H    ASP  43           H        ASP  43   0.805 -13.055  -2.572
  293    HA   ASP  43           HA       ASP  43   3.699 -12.313  -2.460
  294   1HB   ASP  43          2HB       ASP  43   1.699 -12.859  -4.502
  295   2HB   ASP  43          1HB       ASP  43   2.484 -11.303  -4.783
  296    H    TYR  44           H        TYR  44   0.502 -11.072  -1.953
  297    HA   TYR  44           HA       TYR  44   1.574  -8.271  -1.870
  298   1HB   TYR  44          2HB       TYR  44  -1.264  -9.310  -2.160
  299   2HB   TYR  44          1HB       TYR  44  -0.759  -7.624  -2.283
  300    HD1  TYR  44           1HD      TYR  44   1.921  -8.311  -3.711
  301    HD2  TYR  44           2HD      TYR  44  -2.159  -9.427  -4.425
  302    HE1  TYR  44           1HE      TYR  44   2.433  -8.629  -6.116
  303    HE2  TYR  44           2HE      TYR  44  -1.654  -9.745  -6.833
  304    HH   TYR  44           HH       TYR  44   1.488  -9.939  -8.038
  305    H    ALA  45           H        ALA  45   1.164 -10.724   0.181
  306    HA   ALA  45           HA       ALA  45  -0.423  -9.358   2.268
  307   1HB   ALA  45          1HB       ALA  45   0.385 -12.014   1.547
  308   2HB   ALA  45          2HB       ALA  45  -0.769 -11.528   2.790
  309   3HB   ALA  45          3HB       ALA  45   0.941 -11.694   3.190
  310    H    ASN  46           H        ASN  46   2.157  -8.165   1.325
  311    HA   ASN  46           HA       ASN  46   3.701  -8.321   3.896
  312   1HB   ASN  46          2HB       ASN  46   4.830  -9.265   1.899
  313   2HB   ASN  46          1HB       ASN  46   4.627  -7.724   1.067
  314   1HD2  ASN  46          1HD2      ASN  46   5.739  -5.797   2.103
  315   2HD2  ASN  46          2HD2      ASN  46   7.160  -6.062   2.992
  Start of MODEL    6
    1   1H    THR   1          1HT       THR   1  -8.399  -3.933   2.185
    2   2H    THR   1          2HT       THR   1  -8.673  -2.691   3.310
    3   3H    THR   1          3HT       THR   1  -8.948  -4.310   3.744
    4    HA   THR   1           HA       THR   1  -6.723  -3.032   4.402
    5    HB   THR   1           HB       THR   1  -7.317  -5.896   3.638
    6    HG1  THR   1           1HG      THR   1  -6.829  -4.873   6.203
    7   1HG2  THR   1          1HG2      THR   1  -4.781  -4.676   4.670
    8   2HG2  THR   1          2HG2      THR   1  -4.998  -6.003   3.529
    9   3HG2  THR   1          3HG2      THR   1  -5.259  -6.270   5.253
   10    H    THR   2           H        THR   2  -4.593  -2.766   3.595
   11    HA   THR   2           HA       THR   2  -4.345  -2.838   0.649
   12    HB   THR   2           HB       THR   2  -3.781  -0.835   2.014
   13    HG1  THR   2           1HG      THR   2  -2.576  -1.684   0.018
   14   1HG2  THR   2          1HG2      THR   2  -2.837  -1.364   4.000
   15   2HG2  THR   2          2HG2      THR   2  -1.327  -1.369   3.086
   16   3HG2  THR   2          3HG2      THR   2  -2.180  -2.882   3.391
   17    H    CYS   3           H        CYS   3  -2.091  -3.558  -0.173
   18    HA   CYS   3           HA       CYS   3  -0.898  -5.757   1.441
   19   1HB   CYS   3          2HB       CYS   3  -1.539  -6.356  -1.418
   20   2HB   CYS   3          1HB       CYS   3  -1.477  -7.445  -0.038
   21    H    CYS   4           H        CYS   4   1.200  -4.924   1.454
   22    HA   CYS   4           HA       CYS   4   2.331  -3.860  -1.090
   23   1HB   CYS   4          2HB       CYS   4   2.733  -3.526   1.820
   24   2HB   CYS   4          1HB       CYS   4   4.216  -3.518   0.868
   25    HA   PRO   5           HA       PRO   5   4.543  -7.611  -1.730
   26   1HB   PRO   5          2HB       PRO   5   6.534  -6.650  -3.346
   27   2HB   PRO   5          1HB       PRO   5   4.865  -6.893  -3.900
   28   1HG   PRO   5          2HG       PRO   5   6.229  -4.384  -3.054
   29   2HG   PRO   5          1HG       PRO   5   5.086  -4.656  -4.379
   30   1HD   PRO   5          2HD       PRO   5   4.369  -3.532  -2.011
   31   2HD   PRO   5          1HD       PRO   5   3.254  -4.486  -3.010
   32    H    SER   6           H        SER   6   5.727  -5.029   0.121
   33    HA   SER   6           HA       SER   6   7.529  -6.599   1.643
   34   1HB   SER   6          2HB       SER   6   8.487  -5.953  -0.941
   35   2HB   SER   6          1HB       SER   6   9.382  -4.929   0.179
   36    HG   SER   6           HG       SER   6   9.003  -7.589   0.903
   37    H    ILE   7           H        ILE   7   9.151  -5.090   2.880
   38    HA   ILE   7           HA       ILE   7   7.727  -2.997   4.158
   39    HB   ILE   7           HB       ILE   7  10.706  -3.502   3.856
   40   1HG1  ILE   7          2HG1      ILE   7   9.285  -5.392   4.751
   41   2HG1  ILE   7          1HG1      ILE   7  10.492  -4.796   5.890
   42   1HG2  ILE   7          1HG2      ILE   7  10.182  -1.231   4.708
   43   2HG2  ILE   7          2HG2      ILE   7  10.919  -2.238   5.954
   44   3HG2  ILE   7          3HG2      ILE   7   9.179  -1.948   5.969
   45   1HD1  ILE   7          1HD1      ILE   7   7.562  -4.017   5.840
   46   2HD1  ILE   7          2HD1      ILE   7   8.766  -3.369   6.954
   47   3HD1  ILE   7          3HD1      ILE   7   8.331  -5.076   7.021
   48    H    VAL   8           H        VAL   8   9.965  -2.921   1.395
   49    HA   VAL   8           HA       VAL   8  10.425  -0.161   1.145
   50    HB   VAL   8           HB       VAL   8   9.809  -2.177  -1.043
   51   1HG1  VAL   8          1HG1      VAL   8  10.687  -0.688  -2.528
   52   2HG1  VAL   8          2HG1      VAL   8  11.906  -0.123  -1.385
   53   3HG1  VAL   8          3HG1      VAL   8  10.261   0.508  -1.303
   54   1HG2  VAL   8          1HG2      VAL   8  12.615  -1.692  -0.438
   55   2HG2  VAL   8          2HG2      VAL   8  11.747  -3.223  -0.537
   56   3HG2  VAL   8          3HG2      VAL   8  11.755  -2.311   0.972
   57    H    ALA   9           H        ALA   9   7.828  -1.945  -0.588
   58    HA   ALA   9           HA       ALA   9   6.367   0.389  -1.364
   59   1HB   ALA   9          1HB       ALA   9   5.694  -2.529  -0.944
   60   2HB   ALA   9          2HB       ALA   9   5.966  -1.685  -2.469
   61   3HB   ALA   9          3HB       ALA   9   4.497  -1.380  -1.541
   62    H    ARG  10           H        ARG  10   5.736  -1.941   1.289
   63    HA   ARG  10           HA       ARG  10   3.585  -0.804   2.581
   64   1HB   ARG  10          2HB       ARG  10   5.029  -2.841   3.130
   65   2HB   ARG  10          1HB       ARG  10   6.122  -1.733   3.955
   66   1HG   ARG  10          2HG       ARG  10   4.614  -2.602   5.616
   67   2HG   ARG  10          1HG       ARG  10   4.123  -0.936   5.299
   68   1HD   ARG  10          2HD       ARG  10   2.058  -1.721   4.803
   69   2HD   ARG  10          1HD       ARG  10   2.764  -2.522   3.389
   70    HE   ARG  10           HE       ARG  10   3.264  -4.470   4.885
   71   1HH1  ARG  10          1HH2      ARG  10   2.310  -2.410   7.177
   72   2HH1  ARG  10          2HH2      ARG  10   0.921  -3.287   7.727
   73   1HH2  ARG  10          1HH1      ARG  10   0.905  -5.472   5.035
   74   2HH2  ARG  10          2HH1      ARG  10   0.127  -5.021   6.517
   75    H    SER  11           H        SER  11   7.014   0.111   3.137
   76    HA   SER  11           HA       SER  11   6.446   2.348   4.850
   77   1HB   SER  11          2HB       SER  11   8.625   1.161   4.619
   78   2HB   SER  11          1HB       SER  11   8.777   1.786   2.980
   79    HG   SER  11           HG       SER  11   9.883   3.046   4.585
   80    H    ASN  12           H        ASN  12   6.679   1.937   1.364
   81    HA   ASN  12           HA       ASN  12   6.795   4.648   0.506
   82   1HB   ASN  12          2HB       ASN  12   6.398   2.005  -0.502
   83   2HB   ASN  12          1HB       ASN  12   5.153   3.035  -1.200
   84   1HD2  ASN  12          1HD2      ASN  12   7.613   1.837  -2.477
   85   2HD2  ASN  12          2HD2      ASN  12   8.461   3.153  -3.126
   86    H    PHE  13           H        PHE  13   3.880   2.608   0.290
   87    HA   PHE  13           HA       PHE  13   1.947   4.599   0.022
   88   1HB   PHE  13          2HB       PHE  13   1.194   2.411  -0.207
   89   2HB   PHE  13          1HB       PHE  13   2.093   1.843   1.194
   90    HD1  PHE  13           1HD      PHE  13   0.375   0.783   2.461
   91    HD2  PHE  13           2HD      PHE  13  -0.165   4.799   1.039
   92    HE1  PHE  13           1HE      PHE  13  -1.649   1.014   3.877
   93    HE2  PHE  13           2HE      PHE  13  -2.186   5.030   2.451
   94    HZ   PHE  13           HZ       PHE  13  -2.929   3.138   3.871
   95    H    ASN  14           H        ASN  14   3.565   3.486   2.943
   96    HA   ASN  14           HA       ASN  14   1.877   4.900   4.833
   97   1HB   ASN  14          2HB       ASN  14   4.186   3.173   4.783
   98   2HB   ASN  14          1HB       ASN  14   4.517   4.546   5.840
   99   1HD2  ASN  14          1HD2      ASN  14   3.295   1.476   5.953
  100   2HD2  ASN  14          2HD2      ASN  14   2.216   1.641   7.254
  101    H    VAL  15           H        VAL  15   4.592   5.728   2.836
  102    HA   VAL  15           HA       VAL  15   5.384   8.143   4.212
  103    HB   VAL  15           HB       VAL  15   6.096   6.489   1.979
  104   1HG1  VAL  15          1HG1      VAL  15   6.742   8.124   0.310
  105   2HG1  VAL  15          2HG1      VAL  15   6.121   9.441   1.305
  106   3HG1  VAL  15          3HG1      VAL  15   5.009   8.269   0.598
  107   1HG2  VAL  15          1HG2      VAL  15   7.389   8.742   3.500
  108   2HG2  VAL  15          2HG2      VAL  15   8.231   7.877   2.213
  109   3HG2  VAL  15          3HG2      VAL  15   7.682   7.008   3.646
  110    H    CYS  16           H        CYS  16   2.885   7.301   1.923
  111    HA   CYS  16           HA       CYS  16   2.304  10.077   1.146
  112   1HB   CYS  16          2HB       CYS  16   1.834   7.402   0.268
  113   2HB   CYS  16          1HB       CYS  16   0.269   8.174   0.498
  114    H    ARG  17           H        ARG  17   1.268   7.769   3.553
  115    HA   ARG  17           HA       ARG  17  -1.322   8.964   4.112
  116   1HB   ARG  17          2HB       ARG  17  -0.300   6.598   4.602
  117   2HB   ARG  17          1HB       ARG  17   0.352   7.371   6.047
  118   1HG   ARG  17          2HG       ARG  17  -1.669   6.724   6.918
  119   2HG   ARG  17          1HG       ARG  17  -2.188   8.252   6.205
  120   1HD   ARG  17          2HD       ARG  17  -2.836   7.020   4.123
  121   2HD   ARG  17          1HD       ARG  17  -2.426   5.498   4.940
  122    HE   ARG  17           HE       ARG  17  -4.378   5.739   6.258
  123   1HH1  ARG  17          1HH1      ARG  17  -5.106   7.599   3.818
  124   2HH1  ARG  17          2HH1      ARG  17  -5.832   8.916   4.677
  125   1HH2  ARG  17          1HH2      ARG  17  -4.623   7.907   7.768
  126   2HH2  ARG  17          2HH2      ARG  17  -5.559   9.090   6.917
  127    H    LEU  18           H        LEU  18   1.878   9.922   4.720
  128    HA   LEU  18           HA       LEU  18   1.575  11.165   7.300
  129   1HB   LEU  18          2HB       LEU  18   3.490  10.766   5.153
  130   2HB   LEU  18          1HB       LEU  18   3.599  12.393   5.806
  131    HG   LEU  18           HG       LEU  18   3.576   9.889   7.503
  132   1HD1  LEU  18          1HD1      LEU  18   6.047  10.592   7.828
  133   2HD1  LEU  18          2HD1      LEU  18   5.835  11.521   6.345
  134   3HD1  LEU  18          3HD1      LEU  18   5.622   9.770   6.326
  135   1HD2  LEU  18          1HD2      LEU  18   4.797  12.284   8.614
  136   2HD2  LEU  18          2HD2      LEU  18   3.496  11.293   9.272
  137   3HD2  LEU  18          3HD2      LEU  18   3.128  12.590   8.134
  138    HA   PRO  19           HA       PRO  19   1.061  15.192   4.735
  139   1HB   PRO  19          2HB       PRO  19   0.642  14.940   2.040
  140   2HB   PRO  19          1HB       PRO  19   2.257  15.096   2.761
  141   1HG   PRO  19          2HG       PRO  19   0.832  12.653   1.825
  142   2HG   PRO  19          1HG       PRO  19   2.536  13.101   1.650
  143   1HD   PRO  19          2HD       PRO  19   1.662  11.333   3.509
  144   2HD   PRO  19          1HD       PRO  19   3.082  12.370   3.759
  145    H    GLY  20           H        GLY  20  -0.762  12.371   3.568
  146   1HA   GLY  20          2HA       GLY  20  -3.174  12.527   4.549
  147   2HA   GLY  20          1HA       GLY  20  -3.246  14.026   3.624
  148    H    THR  21           H        THR  21  -1.362  11.755   1.978
  149    HA   THR  21           HA       THR  21  -3.151  11.531  -0.201
  150    HB   THR  21           HB       THR  21  -0.863   9.718   0.591
  151    HG1  THR  21           1HG      THR  21  -0.707  12.004  -1.061
  152   1HG2  THR  21          1HG2      THR  21  -2.437  10.217  -1.892
  153   2HG2  THR  21          2HG2      THR  21  -1.780   8.709  -1.261
  154   3HG2  THR  21          3HG2      THR  21  -0.721   9.867  -2.063
  155    HA   PRO  22           HA       PRO  22  -5.622   8.244   1.424
  156   1HB   PRO  22          2HB       PRO  22  -7.028   7.797  -0.883
  157   2HB   PRO  22          1HB       PRO  22  -7.370   9.137   0.224
  158   1HG   PRO  22          2HG       PRO  22  -5.896   9.147  -2.354
  159   2HG   PRO  22          1HG       PRO  22  -6.978  10.370  -1.673
  160   1HD   PRO  22          2HD       PRO  22  -4.232  10.565  -1.617
  161   2HD   PRO  22          1HD       PRO  22  -5.306  11.343  -0.450
  162    H    GLU  23           H        GLU  23  -4.630   6.355   1.647
  163    HA   GLU  23           HA       GLU  23  -2.623   5.071   0.381
  164   1HB   GLU  23          2HB       GLU  23  -3.650   2.973   1.143
  165   2HB   GLU  23          1HB       GLU  23  -3.964   4.251   2.319
  166   1HG   GLU  23          2HG       GLU  23  -6.193   4.618   1.346
  167   2HG   GLU  23          1HG       GLU  23  -5.883   3.364   0.145
  168    H    ALA  24           H        ALA  24  -5.910   5.293  -0.893
  169    HA   ALA  24           HA       ALA  24  -5.702   3.366  -2.987
  170   1HB   ALA  24          1HB       ALA  24  -7.247   5.964  -3.079
  171   2HB   ALA  24          2HB       ALA  24  -7.723   4.632  -2.025
  172   3HB   ALA  24          3HB       ALA  24  -7.698   4.408  -3.774
  173    H    LEU  25           H        LEU  25  -4.963   6.884  -2.960
  174    HA   LEU  25           HA       LEU  25  -4.258   6.975  -5.767
  175   1HB   LEU  25          2HB       LEU  25  -4.740   8.730  -3.687
  176   2HB   LEU  25          1HB       LEU  25  -3.018   8.944  -3.990
  177    HG   LEU  25           HG       LEU  25  -4.638   8.777  -6.437
  178   1HD1  LEU  25          1HD1      LEU  25  -6.022  10.056  -4.585
  179   2HD1  LEU  25          2HD1      LEU  25  -5.893  10.725  -6.211
  180   3HD1  LEU  25          3HD1      LEU  25  -4.873  11.352  -4.916
  181   1HD2  LEU  25          1HD2      LEU  25  -2.277  10.157  -5.341
  182   2HD2  LEU  25          2HD2      LEU  25  -3.249  11.160  -6.418
  183   3HD2  LEU  25          3HD2      LEU  25  -2.599   9.623  -6.990
  184    H    CYS  26           H        CYS  26  -2.267   6.799  -2.777
  185    HA   CYS  26           HA       CYS  26   0.189   6.656  -4.384
  186   1HB   CYS  26          2HB       CYS  26  -0.560   7.353  -1.757
  187   2HB   CYS  26          1HB       CYS  26   0.505   5.956  -1.603
  188    H    ALA  27           H        ALA  27  -2.071   4.317  -3.174
  189    HA   ALA  27           HA       ALA  27  -0.139   2.154  -2.927
  190   1HB   ALA  27          1HB       ALA  27  -2.287   0.782  -2.934
  191   2HB   ALA  27          2HB       ALA  27  -3.146   2.306  -3.150
  192   3HB   ALA  27          3HB       ALA  27  -2.200   2.026  -1.688
  193    H    THR  28           H        THR  28  -2.331   3.335  -5.282
  194    HA   THR  28           HA       THR  28  -1.842   1.306  -7.302
  195    HB   THR  28           HB       THR  28  -3.390   3.763  -6.852
  196    HG1  THR  28           1HG      THR  28  -4.708   2.456  -8.441
  197   1HG2  THR  28          1HG2      THR  28  -2.360   3.160  -9.633
  198   2HG2  THR  28          2HG2      THR  28  -2.139   4.653  -8.720
  199   3HG2  THR  28          3HG2      THR  28  -3.743   4.201  -9.297
  200    H    TYR  29           H        TYR  29  -0.439   4.417  -6.429
  201    HA   TYR  29           HA       TYR  29   1.216   4.520  -8.883
  202   1HB   TYR  29          2HB       TYR  29   0.368   6.609  -8.180
  203   2HB   TYR  29          1HB       TYR  29   0.688   6.265  -6.480
  204    HD1  TYR  29           1HD      TYR  29   3.002   5.719  -9.348
  205    HD2  TYR  29           2HD      TYR  29   2.097   8.088  -5.881
  206    HE1  TYR  29           1HE      TYR  29   5.212   6.830  -9.531
  207    HE2  TYR  29           2HE      TYR  29   4.306   9.200  -6.064
  208    HH   TYR  29           HH       TYR  29   5.981   9.640  -8.070
  209    H    THR  30           H        THR  30   1.743   4.318  -5.339
  210    HA   THR  30           HA       THR  30   4.587   4.003  -5.531
  211    HB   THR  30           HB       THR  30   2.944   4.630  -3.577
  212    HG1  THR  30           1HG      THR  30   5.146   4.674  -3.327
  213   1HG2  THR  30          1HG2      THR  30   3.410   1.835  -2.683
  214   2HG2  THR  30          2HG2      THR  30   2.102   2.094  -3.838
  215   3HG2  THR  30          3HG2      THR  30   2.091   2.941  -2.290
  216    H    GLY  31           H        GLY  31   2.042   1.829  -6.267
  217   1HA   GLY  31          2HA       GLY  31   2.722  -0.246  -7.449
  218   2HA   GLY  31          1HA       GLY  31   4.024  -0.412  -6.274
  219    H    CYS  32           H        CYS  32   2.614   0.061  -3.892
  220    HA   CYS  32           HA       CYS  32   1.649  -2.433  -3.138
  221   1HB   CYS  32          2HB       CYS  32   2.056  -0.081  -1.930
  222   2HB   CYS  32          1HB       CYS  32   0.299   0.003  -2.051
  223    H    ILE  33           H        ILE  33  -0.771  -2.818  -2.424
  224    HA   ILE  33           HA       ILE  33  -2.680  -1.829  -4.503
  225    HB   ILE  33           HB       ILE  33  -3.320  -4.102  -5.022
  226   1HG1  ILE  33          2HG1      ILE  33  -1.417  -5.641  -3.548
  227   2HG1  ILE  33          1HG1      ILE  33  -2.265  -4.597  -2.405
  228   1HG2  ILE  33          1HG2      ILE  33  -0.304  -3.835  -4.840
  229   2HG2  ILE  33          2HG2      ILE  33  -1.321  -3.361  -6.201
  230   3HG2  ILE  33          3HG2      ILE  33  -1.139  -5.065  -5.787
  231   1HD1  ILE  33          1HD1      ILE  33  -3.805  -6.123  -4.494
  232   2HD1  ILE  33          2HD1      ILE  33  -4.365  -5.496  -2.943
  233   3HD1  ILE  33          3HD1      ILE  33  -3.315  -6.911  -2.995
  234    H    ILE  34           H        ILE  34  -4.943  -2.071  -3.807
  235    HA   ILE  34           HA       ILE  34  -5.285  -2.750  -0.915
  236    HB   ILE  34           HB       ILE  34  -6.326  -0.288  -2.350
  237   1HG1  ILE  34          2HG1      ILE  34  -4.204  -0.521  -0.195
  238   2HG1  ILE  34          1HG1      ILE  34  -3.849  -0.326  -1.910
  239   1HG2  ILE  34          1HG2      ILE  34  -7.833  -0.318  -0.657
  240   2HG2  ILE  34          2HG2      ILE  34  -6.481   0.099   0.394
  241   3HG2  ILE  34          3HG2      ILE  34  -6.961  -1.587   0.201
  242   1HD1  ILE  34          1HD1      ILE  34  -4.891   1.824  -1.980
  243   2HD1  ILE  34          2HD1      ILE  34  -3.875   1.824  -0.538
  244   3HD1  ILE  34          3HD1      ILE  34  -5.618   1.595  -0.390
  245    H    ILE  35           H        ILE  35  -7.228  -3.755  -0.447
  246    HA   ILE  35           HA       ILE  35  -9.387  -3.779  -2.488
  247    HB   ILE  35           HB       ILE  35  -9.326  -6.148  -2.737
  248   1HG1  ILE  35          2HG1      ILE  35  -8.923  -6.534  -0.241
  249   2HG1  ILE  35          1HG1      ILE  35  -8.105  -7.650  -1.329
  250   1HG2  ILE  35          1HG2      ILE  35  -7.007  -6.609  -3.454
  251   2HG2  ILE  35          2HG2      ILE  35  -6.456  -5.180  -2.578
  252   3HG2  ILE  35          3HG2      ILE  35  -7.529  -5.003  -3.966
  253   1HD1  ILE  35          1HD1      ILE  35  -6.945  -5.894   0.621
  254   2HD1  ILE  35          2HD1      ILE  35  -6.375  -5.419  -0.979
  255   3HD1  ILE  35          3HD1      ILE  35  -6.137  -7.071  -0.413
  256    HA   PRO  36           HA       PRO  36 -11.891  -3.800   1.120
  257   1HB   PRO  36          2HB       PRO  36 -14.125  -5.096   0.202
  258   2HB   PRO  36          1HB       PRO  36 -13.716  -3.430  -0.259
  259   1HG   PRO  36          2HG       PRO  36 -13.304  -5.968  -1.765
  260   2HG   PRO  36          1HG       PRO  36 -13.817  -4.378  -2.353
  261   1HD   PRO  36          2HD       PRO  36 -11.282  -5.315  -2.638
  262   2HD   PRO  36          1HD       PRO  36 -11.667  -3.585  -2.488
  263    H    GLY  37           H        GLY  37 -10.122  -5.518   1.845
  264   1HA   GLY  37          2HA       GLY  37 -11.059  -7.446   3.467
  265   2HA   GLY  37          1HA       GLY  37 -11.140  -8.275   1.913
  266    H    ALA  38           H        ALA  38  -9.410  -8.804   4.251
  267    HA   ALA  38           HA       ALA  38  -6.676  -8.075   3.432
  268   1HB   ALA  38          1HB       ALA  38  -6.835  -8.207   5.718
  269   2HB   ALA  38          2HB       ALA  38  -6.407  -9.889   5.400
  270   3HB   ALA  38          3HB       ALA  38  -8.093  -9.442   5.658
  271    H    THR  39           H        THR  39  -8.318  -9.715   1.597
  272    HA   THR  39           HA       THR  39  -7.256 -12.436   1.700
  273    HB   THR  39           HB       THR  39  -9.530 -11.460   0.901
  274    HG1  THR  39           1HG      THR  39  -8.373 -13.286  -0.887
  275   1HG2  THR  39          1HG2      THR  39  -8.091 -11.390  -1.735
  276   2HG2  THR  39          2HG2      THR  39  -8.252  -9.943  -0.741
  277   3HG2  THR  39          3HG2      THR  39  -9.692 -10.766  -1.338
  278    H    CYS  40           H        CYS  40  -5.669  -9.804   1.137
  279    HA   CYS  40           HA       CYS  40  -4.527  -9.500  -1.319
  280   1HB   CYS  40          2HB       CYS  40  -2.995  -9.948   1.265
  281   2HB   CYS  40          1HB       CYS  40  -2.422  -9.035  -0.129
  282    HA   PRO  41           HA       PRO  41  -2.882 -13.371  -2.610
  283   1HB   PRO  41          2HB       PRO  41  -0.865 -12.520  -4.246
  284   2HB   PRO  41          1HB       PRO  41  -2.580 -12.397  -4.687
  285   1HG   PRO  41          2HG       PRO  41  -0.734 -10.302  -3.666
  286   2HG   PRO  41          1HG       PRO  41  -2.024 -10.181  -4.872
  287   1HD   PRO  41          2HD       PRO  41  -2.268  -9.341  -2.276
  288   2HD   PRO  41          1HD       PRO  41  -3.638  -9.836  -3.295
  289    H    GLY  42           H        GLY  42  -0.460 -14.344  -2.939
  290   1HA   GLY  42          2HA       GLY  42   0.854 -13.961  -0.320
  291   2HA   GLY  42          1HA       GLY  42   1.192 -15.261  -1.465
  292    H    ASP  43           H        ASP  43   1.057 -12.381  -3.155
  293    HA   ASP  43           HA       ASP  43   4.044 -12.173  -3.124
  294   1HB   ASP  43          2HB       ASP  43   1.979 -12.303  -5.133
  295   2HB   ASP  43          1HB       ASP  43   2.857 -10.783  -5.304
  296    H    TYR  44           H        TYR  44   1.076 -10.464  -2.521
  297    HA   TYR  44           HA       TYR  44   2.613  -7.921  -2.101
  298   1HB   TYR  44          2HB       TYR  44  -0.333  -8.359  -2.687
  299   2HB   TYR  44          1HB       TYR  44   0.509  -6.809  -2.651
  300    HD1  TYR  44           1HD      TYR  44   3.105  -7.883  -3.945
  301    HD2  TYR  44           2HD      TYR  44  -1.043  -8.219  -5.009
  302    HE1  TYR  44           1HE      TYR  44   3.738  -8.163  -6.325
  303    HE2  TYR  44           2HE      TYR  44  -0.410  -8.497  -7.391
  304    HH   TYR  44           HH       TYR  44   1.794  -7.709  -8.809
  305    H    ALA  45           H        ALA  45   1.729 -10.410  -0.339
  306    HA   ALA  45           HA       ALA  45   0.080  -9.089   1.718
  307   1HB   ALA  45          1HB       ALA  45  -0.472 -11.321   1.578
  308   2HB   ALA  45          2HB       ALA  45   0.818 -11.463   2.773
  309   3HB   ALA  45          3HB       ALA  45   1.152 -11.791   1.073
  310    H    ASN  46           H        ASN  46   2.859  -8.072   1.105
  311    HA   ASN  46           HA       ASN  46   4.297  -8.716   3.637
  312   1HB   ASN  46          2HB       ASN  46   4.999  -8.237   0.938
  313   2HB   ASN  46          1HB       ASN  46   5.613  -6.859   1.853
  314   1HD2  ASN  46          1HD2      ASN  46   6.024  -8.387   4.355
  315   2HD2  ASN  46          2HD2      ASN  46   7.356  -9.404   4.082
  Start of MODEL    7
    1   1H    THR   1          1HT       THR   1  -8.408  -1.148   3.085
    2   2H    THR   1          2HT       THR   1  -9.181  -2.355   3.996
    3   3H    THR   1          3HT       THR   1  -8.783  -2.641   2.370
    4    HA   THR   1           HA       THR   1  -6.826  -2.235   4.580
    5    HB   THR   1           HB       THR   1  -7.950  -4.616   3.086
    6    HG1  THR   1           1HG      THR   1  -7.489  -4.387   5.841
    7   1HG2  THR   1          1HG2      THR   1  -6.178  -5.863   4.522
    8   2HG2  THR   1          2HG2      THR   1  -5.350  -4.306   4.571
    9   3HG2  THR   1          3HG2      THR   1  -5.651  -5.095   3.023
   10    H    THR   2           H        THR   2  -4.609  -2.581   3.841
   11    HA   THR   2           HA       THR   2  -4.254  -2.217   0.883
   12    HB   THR   2           HB       THR   2  -2.359  -1.117   2.940
   13    HG1  THR   2           1HG      THR   2  -4.614   0.315   2.050
   14   1HG2  THR   2          1HG2      THR   2  -2.831  -0.907   0.098
   15   2HG2  THR   2          2HG2      THR   2  -1.471  -0.301   1.044
   16   3HG2  THR   2          3HG2      THR   2  -2.920   0.686   0.850
   17    H    CYS   3           H        CYS   3  -2.137  -3.036   0.086
   18    HA   CYS   3           HA       CYS   3  -0.663  -4.894   1.866
   19   1HB   CYS   3          2HB       CYS   3  -2.794  -5.672   0.113
   20   2HB   CYS   3          1HB       CYS   3  -1.286  -6.317  -0.536
   21    H    CYS   4           H        CYS   4   1.455  -5.260   1.104
   22    HA   CYS   4           HA       CYS   4   2.165  -4.071  -1.555
   23   1HB   CYS   4          2HB       CYS   4   2.857  -3.243   1.134
   24   2HB   CYS   4          1HB       CYS   4   4.307  -3.646   0.220
   25    HA   PRO   5           HA       PRO   5   4.535  -7.714  -2.121
   26   1HB   PRO   5          2HB       PRO   5   6.621  -6.772  -3.617
   27   2HB   PRO   5          1HB       PRO   5   4.976  -6.958  -4.256
   28   1HG   PRO   5          2HG       PRO   5   6.378  -4.508  -3.328
   29   2HG   PRO   5          1HG       PRO   5   5.248  -4.722  -4.673
   30   1HD   PRO   5          2HD       PRO   5   4.560  -3.630  -2.259
   31   2HD   PRO   5          1HD       PRO   5   3.414  -4.448  -3.342
   32    H    SER   6           H        SER   6   5.664  -5.246  -0.104
   33    HA   SER   6           HA       SER   6   7.484  -6.973   1.295
   34   1HB   SER   6          2HB       SER   6   8.456  -5.861  -1.109
   35   2HB   SER   6          1HB       SER   6   9.227  -4.945   0.183
   36    HG   SER   6           HG       SER   6   9.495  -7.231   1.096
   37    H    ILE   7           H        ILE   7   9.105  -5.399   2.645
   38    HA   ILE   7           HA       ILE   7   7.367  -3.626   4.161
   39    HB   ILE   7           HB       ILE   7  10.347  -4.207   4.206
   40   1HG1  ILE   7          2HG1      ILE   7   8.678  -6.090   4.655
   41   2HG1  ILE   7          1HG1      ILE   7   9.835  -5.769   5.948
   42   1HG2  ILE   7          1HG2      ILE   7   8.628  -2.377   5.781
   43   2HG2  ILE   7          2HG2      ILE   7  10.366  -2.316   5.488
   44   3HG2  ILE   7          3HG2      ILE   7   9.717  -3.395   6.723
   45   1HD1  ILE   7          1HD1      ILE   7   6.978  -4.758   5.815
   46   2HD1  ILE   7          2HD1      ILE   7   8.136  -4.346   7.080
   47   3HD1  ILE   7          3HD1      ILE   7   7.591  -6.013   6.893
   48    H    VAL   8           H        VAL   8   9.885  -3.219   1.712
   49    HA   VAL   8           HA       VAL   8  10.290  -0.394   2.055
   50    HB   VAL   8           HB       VAL   8  10.605  -2.337  -0.246
   51   1HG1  VAL   8          1HG1      VAL   8  11.515   0.552  -0.082
   52   2HG1  VAL   8          2HG1      VAL   8  10.238  -0.057  -1.136
   53   3HG1  VAL   8          3HG1      VAL   8  11.906  -0.577  -1.380
   54   1HG2  VAL   8          1HG2      VAL   8  12.033  -2.270   1.983
   55   2HG2  VAL   8          2HG2      VAL   8  12.812  -0.899   1.192
   56   3HG2  VAL   8          3HG2      VAL   8  12.831  -2.487   0.426
   57    H    ALA   9           H        ALA   9   8.121  -2.283  -0.068
   58    HA   ALA   9           HA       ALA   9   6.906  -0.057  -1.393
   59   1HB   ALA   9          1HB       ALA   9   5.663  -2.728  -0.670
   60   2HB   ALA   9          2HB       ALA   9   6.839  -2.533  -1.970
   61   3HB   ALA   9          3HB       ALA   9   5.279  -1.717  -2.063
   62    H    ARG  10           H        ARG  10   5.304  -2.115   1.064
   63    HA   ARG  10           HA       ARG  10   3.214  -0.497   1.822
   64   1HB   ARG  10          2HB       ARG  10   3.958  -2.806   2.606
   65   2HB   ARG  10          1HB       ARG  10   5.037  -1.985   3.731
   66   1HG   ARG  10          2HG       ARG  10   3.178  -2.208   5.084
   67   2HG   ARG  10          1HG       ARG  10   2.792  -0.661   4.325
   68   1HD   ARG  10          2HD       ARG  10   0.869  -1.642   3.631
   69   2HD   ARG  10          1HD       ARG  10   1.864  -2.565   2.500
   70    HE   ARG  10           HE       ARG  10   2.138  -4.267   4.340
   71   1HH1  ARG  10          1HH2      ARG  10  -0.817  -3.187   3.417
   72   2HH1  ARG  10          2HH2      ARG  10  -1.664  -3.604   4.869
   73   1HH2  ARG  10          1HH1      ARG  10   1.220  -4.294   6.666
   74   2HH2  ARG  10          2HH1      ARG  10  -0.510  -4.236   6.707
   75    H    SER  11           H        SER  11   6.625  -0.008   2.514
   76    HA   SER  11           HA       SER  11   6.280   1.945   4.628
   77   1HB   SER  11          2HB       SER  11   8.443   0.902   2.852
   78   2HB   SER  11          1HB       SER  11   8.735   2.433   3.674
   79    HG   SER  11           HG       SER  11   9.290   0.363   4.794
   80    H    ASN  12           H        ASN  12   7.440   2.407   1.248
   81    HA   ASN  12           HA       ASN  12   7.193   5.238   1.243
   82   1HB   ASN  12          2HB       ASN  12   7.285   4.965  -1.207
   83   2HB   ASN  12          1HB       ASN  12   8.421   3.881  -0.416
   84   1HD2  ASN  12          1HD2      ASN  12   8.362   2.380  -2.234
   85   2HD2  ASN  12          2HD2      ASN  12   7.010   1.394  -2.514
   86    H    PHE  13           H        PHE  13   4.795   2.761   1.031
   87    HA   PHE  13           HA       PHE  13   2.705   4.317  -0.248
   88   1HB   PHE  13          2HB       PHE  13   2.344   2.026  -0.366
   89   2HB   PHE  13          1HB       PHE  13   3.053   1.733   1.220
   90    HD1  PHE  13           1HD      PHE  13   1.648   1.264   3.019
   91    HD2  PHE  13           2HD      PHE  13   0.090   3.408  -0.359
   92    HE1  PHE  13           1HE      PHE  13  -0.615   1.212   4.030
   93    HE2  PHE  13           2HE      PHE  13  -2.174   3.356   0.650
   94    HZ   PHE  13           HZ       PHE  13  -2.527   2.258   2.846
   95    H    ASN  14           H        ASN  14   3.516   3.505   3.127
   96    HA   ASN  14           HA       ASN  14   1.361   5.082   4.282
   97   1HB   ASN  14          2HB       ASN  14   3.589   3.360   5.094
   98   2HB   ASN  14          1HB       ASN  14   3.367   4.725   6.191
   99   1HD2  ASN  14          1HD2      ASN  14   2.217   1.603   5.443
  100   2HD2  ASN  14          2HD2      ASN  14   0.774   1.660   6.335
  101    H    VAL  15           H        VAL  15   4.525   5.714   3.072
  102    HA   VAL  15           HA       VAL  15   5.036   8.159   4.565
  103    HB   VAL  15           HB       VAL  15   6.324   6.336   2.772
  104   1HG1  VAL  15          1HG1      VAL  15   7.619   7.949   1.385
  105   2HG1  VAL  15          2HG1      VAL  15   6.534   9.235   1.913
  106   3HG1  VAL  15          3HG1      VAL  15   5.911   7.900   0.945
  107   1HG2  VAL  15          1HG2      VAL  15   8.052   8.446   3.658
  108   2HG2  VAL  15          2HG2      VAL  15   7.922   6.796   4.271
  109   3HG2  VAL  15          3HG2      VAL  15   6.899   8.068   4.939
  110    H    CYS  16           H        CYS  16   3.344   7.298   1.628
  111    HA   CYS  16           HA       CYS  16   3.231  10.056   0.607
  112   1HB   CYS  16          2HB       CYS  16   3.295   8.409  -1.060
  113   2HB   CYS  16          1HB       CYS  16   2.239   7.323  -0.162
  114    H    ARG  17           H        ARG  17   1.288   7.917   2.595
  115    HA   ARG  17           HA       ARG  17  -1.118   9.617   2.415
  116   1HB   ARG  17          2HB       ARG  17  -1.549   7.304   2.562
  117   2HB   ARG  17          1HB       ARG  17  -0.280   7.055   3.760
  118   1HG   ARG  17          2HG       ARG  17  -1.572   8.048   5.492
  119   2HG   ARG  17          1HG       ARG  17  -2.719   8.739   4.343
  120   1HD   ARG  17          2HD       ARG  17  -3.374   6.394   3.687
  121   2HD   ARG  17          1HD       ARG  17  -2.359   5.799   5.015
  122    HE   ARG  17           HE       ARG  17  -4.463   7.836   5.591
  123   1HH1  ARG  17          1HH1      ARG  17  -4.105   4.512   5.355
  124   2HH1  ARG  17          2HH1      ARG  17  -4.620   4.162   6.971
  125   1HH2  ARG  17          1HH2      ARG  17  -4.697   7.490   7.950
  126   2HH2  ARG  17          2HH2      ARG  17  -4.957   5.850   8.443
  127    H    LEU  18           H        LEU  18   1.754  10.069   3.872
  128    HA   LEU  18           HA       LEU  18   1.241  10.538   6.620
  129   1HB   LEU  18          2HB       LEU  18   3.253  10.903   4.620
  130   2HB   LEU  18          1HB       LEU  18   3.116  12.393   5.539
  131    HG   LEU  18           HG       LEU  18   3.351   9.666   6.823
  132   1HD1  LEU  18          1HD1      LEU  18   5.730  10.618   7.346
  133   2HD1  LEU  18          2HD1      LEU  18   5.442  11.641   5.939
  134   3HD1  LEU  18          3HD1      LEU  18   5.435   9.887   5.769
  135   1HD2  LEU  18          1HD2      LEU  18   3.008  10.785   8.749
  136   2HD2  LEU  18          2HD2      LEU  18   2.673  12.237   7.806
  137   3HD2  LEU  18          3HD2      LEU  18   4.313  11.907   8.362
  138    HA   PRO  19           HA       PRO  19   0.144  15.005   5.326
  139   1HB   PRO  19          2HB       PRO  19  -0.444  15.487   2.699
  140   2HB   PRO  19          1HB       PRO  19   1.196  15.610   3.366
  141   1HG   PRO  19          2HG       PRO  19  -0.018  13.475   1.718
  142   2HG   PRO  19          1HG       PRO  19   1.654  14.049   1.779
  143   1HD   PRO  19          2HD       PRO  19   0.699  11.739   2.973
  144   2HD   PRO  19          1HD       PRO  19   2.219  12.557   3.390
  145    H    GLY  20           H        GLY  20  -1.466  12.266   3.878
  146   1HA   GLY  20          2HA       GLY  20  -3.823  12.054   4.917
  147   2HA   GLY  20          1HA       GLY  20  -4.095  13.649   4.219
  148    H    THR  21           H        THR  21  -2.096  11.679   2.271
  149    HA   THR  21           HA       THR  21  -3.889  11.653   0.088
  150    HB   THR  21           HB       THR  21  -1.578   9.793   0.626
  151    HG1  THR  21           1HG      THR  21  -0.260  11.465  -0.108
  152   1HG2  THR  21          1HG2      THR  21  -1.261  10.009  -1.821
  153   2HG2  THR  21          2HG2      THR  21  -2.683  11.050  -1.898
  154   3HG2  THR  21          3HG2      THR  21  -2.851   9.361  -1.415
  155    HA   PRO  22           HA       PRO  22  -6.228   8.068   1.081
  156   1HB   PRO  22          2HB       PRO  22  -7.181   7.581  -1.438
  157   2HB   PRO  22          1HB       PRO  22  -7.798   8.879  -0.400
  158   1HG   PRO  22          2HG       PRO  22  -5.903   9.022  -2.686
  159   2HG   PRO  22          1HG       PRO  22  -7.159  10.168  -2.189
  160   1HD   PRO  22          2HD       PRO  22  -4.475  10.503  -1.666
  161   2HD   PRO  22          1HD       PRO  22  -5.767  11.228  -0.707
  162    H    GLU  23           H        GLU  23  -5.201   6.198   1.418
  163    HA   GLU  23           HA       GLU  23  -2.906   5.113   0.437
  164   1HB   GLU  23          2HB       GLU  23  -5.528   3.692   0.998
  165   2HB   GLU  23          1HB       GLU  23  -3.962   2.884   0.919
  166   1HG   GLU  23          2HG       GLU  23  -3.136   4.378   2.732
  167   2HG   GLU  23          1HG       GLU  23  -4.750   5.082   2.852
  168    H    ALA  24           H        ALA  24  -5.954   5.268  -1.318
  169    HA   ALA  24           HA       ALA  24  -5.416   3.369  -3.377
  170   1HB   ALA  24          1HB       ALA  24  -6.872   5.601  -4.391
  171   2HB   ALA  24          2HB       ALA  24  -7.307   5.420  -2.691
  172   3HB   ALA  24          3HB       ALA  24  -7.520   4.069  -3.804
  173    H    LEU  25           H        LEU  25  -4.560   6.834  -3.055
  174    HA   LEU  25           HA       LEU  25  -3.324   6.908  -5.711
  175   1HB   LEU  25          2HB       LEU  25  -4.312   8.684  -3.752
  176   2HB   LEU  25          1HB       LEU  25  -2.591   9.034  -3.891
  177    HG   LEU  25           HG       LEU  25  -3.613   8.623  -6.524
  178   1HD1  LEU  25          1HD1      LEU  25  -5.648   9.554  -4.846
  179   2HD1  LEU  25          2HD1      LEU  25  -5.615   9.660  -6.606
  180   3HD1  LEU  25          3HD1      LEU  25  -5.028  11.007  -5.631
  181   1HD2  LEU  25          1HD2      LEU  25  -3.082  11.237  -6.469
  182   2HD2  LEU  25          2HD2      LEU  25  -1.786  10.044  -6.380
  183   3HD2  LEU  25          3HD2      LEU  25  -2.375  10.818  -4.909
  184    H    CYS  26           H        CYS  26  -2.255   6.429  -2.364
  185    HA   CYS  26           HA       CYS  26   0.591   6.698  -3.009
  186   1HB   CYS  26          2HB       CYS  26  -0.854   5.535  -0.604
  187   2HB   CYS  26          1HB       CYS  26   0.850   5.973  -0.664
  188    H    ALA  27           H        ALA  27  -1.757   4.201  -3.307
  189    HA   ALA  27           HA       ALA  27   0.308   2.075  -3.246
  190   1HB   ALA  27          1HB       ALA  27  -1.970   0.750  -3.642
  191   2HB   ALA  27          2HB       ALA  27  -2.666   2.261  -3.057
  192   3HB   ALA  27          3HB       ALA  27  -1.548   1.355  -2.040
  193    H    THR  28           H        THR  28  -1.755   3.826  -5.301
  194    HA   THR  28           HA       THR  28  -1.455   2.118  -7.650
  195    HB   THR  28           HB       THR  28  -2.691   4.732  -6.888
  196    HG1  THR  28           1HG      THR  28  -4.143   3.187  -6.834
  197   1HG2  THR  28          1HG2      THR  28  -1.665   4.053  -9.588
  198   2HG2  THR  28          2HG2      THR  28  -1.956   5.631  -8.854
  199   3HG2  THR  28          3HG2      THR  28  -3.303   4.700  -9.512
  200    H    TYR  29           H        TYR  29   0.280   4.780  -6.197
  201    HA   TYR  29           HA       TYR  29   1.884   5.165  -8.687
  202   1HB   TYR  29          2HB       TYR  29   1.018   7.184  -7.699
  203   2HB   TYR  29          1HB       TYR  29   1.559   6.698  -6.093
  204    HD1  TYR  29           1HD      TYR  29   3.590   6.090  -9.098
  205    HD2  TYR  29           2HD      TYR  29   2.941   8.694  -5.745
  206    HE1  TYR  29           1HE      TYR  29   5.788   7.161  -9.507
  207    HE2  TYR  29           2HE      TYR  29   5.140   9.769  -6.154
  208    HH   TYR  29           HH       TYR  29   6.770  10.046  -7.813
  209    H    THR  30           H        THR  30   2.094   4.126  -5.320
  210    HA   THR  30           HA       THR  30   5.016   3.751  -5.538
  211    HB   THR  30           HB       THR  30   3.377   4.558  -3.549
  212    HG1  THR  30           1HG      THR  30   5.861   3.292  -3.601
  213   1HG2  THR  30          1HG2      THR  30   2.359   2.237  -3.486
  214   2HG2  THR  30          2HG2      THR  30   2.985   2.832  -1.948
  215   3HG2  THR  30          3HG2      THR  30   3.914   1.662  -2.886
  216    H    GLY  31           H        GLY  31   2.264   1.999  -6.387
  217   1HA   GLY  31          2HA       GLY  31   2.574  -0.178  -7.477
  218   2HA   GLY  31          1HA       GLY  31   3.857  -0.530  -6.323
  219    H    CYS  32           H        CYS  32   2.437   0.275  -3.943
  220    HA   CYS  32           HA       CYS  32   1.180  -2.094  -3.140
  221   1HB   CYS  32          2HB       CYS  32   1.693   0.480  -2.138
  222   2HB   CYS  32          1HB       CYS  32  -0.047   0.266  -1.959
  223    H    ILE  33           H        ILE  33  -1.336  -1.949  -2.365
  224    HA   ILE  33           HA       ILE  33  -3.067  -0.716  -4.418
  225    HB   ILE  33           HB       ILE  33  -3.982  -2.969  -5.051
  226   1HG1  ILE  33          2HG1      ILE  33  -1.771  -4.594  -4.360
  227   2HG1  ILE  33          1HG1      ILE  33  -2.243  -3.750  -2.884
  228   1HG2  ILE  33          1HG2      ILE  33  -1.007  -2.880  -5.547
  229   2HG2  ILE  33          2HG2      ILE  33  -2.098  -1.702  -6.278
  230   3HG2  ILE  33          3HG2      ILE  33  -2.286  -3.417  -6.637
  231   1HD1  ILE  33          1HD1      ILE  33  -3.638  -5.870  -4.332
  232   2HD1  ILE  33          2HD1      ILE  33  -4.673  -4.475  -4.025
  233   3HD1  ILE  33          3HD1      ILE  33  -3.878  -5.297  -2.681
  234    H    ILE  34           H        ILE  34  -5.397  -1.078  -3.888
  235    HA   ILE  34           HA       ILE  34  -5.764  -1.358  -0.942
  236    HB   ILE  34           HB       ILE  34  -7.798  -0.387  -2.951
  237   1HG1  ILE  34          2HG1      ILE  34  -5.783   0.848  -3.495
  238   2HG1  ILE  34          1HG1      ILE  34  -6.838   1.909  -2.561
  239   1HG2  ILE  34          1HG2      ILE  34  -8.246   1.148  -0.919
  240   2HG2  ILE  34          2HG2      ILE  34  -7.214   0.036  -0.021
  241   3HG2  ILE  34          3HG2      ILE  34  -8.699  -0.551  -0.770
  242   1HD1  ILE  34          1HD1      ILE  34  -5.050   2.239  -1.212
  243   2HD1  ILE  34          2HD1      ILE  34  -4.187   0.857  -1.886
  244   3HD1  ILE  34          3HD1      ILE  34  -5.371   0.616  -0.601
  245    H    ILE  35           H        ILE  35  -7.819  -2.450  -0.267
  246    HA   ILE  35           HA       ILE  35  -9.192  -4.289  -2.038
  247    HB   ILE  35           HB       ILE  35  -8.123  -6.281  -0.586
  248   1HG1  ILE  35          2HG1      ILE  35  -5.774  -4.394  -0.879
  249   2HG1  ILE  35          1HG1      ILE  35  -6.665  -4.562   0.633
  250   1HG2  ILE  35          1HG2      ILE  35  -6.299  -5.395  -2.743
  251   2HG2  ILE  35          2HG2      ILE  35  -8.004  -5.493  -3.185
  252   3HG2  ILE  35          3HG2      ILE  35  -7.172  -6.916  -2.558
  253   1HD1  ILE  35          1HD1      ILE  35  -6.082  -7.182  -0.362
  254   2HD1  ILE  35          2HD1      ILE  35  -5.509  -6.424   1.124
  255   3HD1  ILE  35          3HD1      ILE  35  -4.592  -6.238  -0.371
  256    HA   PRO  36           HA       PRO  36 -11.958  -4.430   1.357
  257   1HB   PRO  36          2HB       PRO  36 -12.805  -7.039   1.410
  258   2HB   PRO  36          1HB       PRO  36 -13.309  -5.882   0.161
  259   1HG   PRO  36          2HG       PRO  36 -11.211  -7.997   0.045
  260   2HG   PRO  36          1HG       PRO  36 -12.386  -7.505  -1.185
  261   1HD   PRO  36          2HD       PRO  36  -9.789  -6.731  -1.244
  262   2HD   PRO  36          1HD       PRO  36 -11.107  -5.730  -1.892
  263    H    GLY  37           H        GLY  37  -9.186  -6.500   1.368
  264   1HA   GLY  37          2HA       GLY  37  -7.816  -6.639   3.386
  265   2HA   GLY  37          1HA       GLY  37  -9.294  -6.577   4.344
  266    H    ALA  38           H        ALA  38  -7.028  -8.593   4.074
  267    HA   ALA  38           HA       ALA  38  -6.932 -10.928   4.481
  268   1HB   ALA  38          1HB       ALA  38  -9.804 -11.305   3.833
  269   2HB   ALA  38          2HB       ALA  38  -9.453 -10.206   5.167
  270   3HB   ALA  38          3HB       ALA  38  -8.880 -11.874   5.223
  271    H    THR  39           H        THR  39  -7.949  -9.466   1.587
  272    HA   THR  39           HA       THR  39  -8.013 -12.022   0.089
  273    HB   THR  39           HB       THR  39  -9.512  -9.797  -0.045
  274    HG1  THR  39           1HG      THR  39 -10.054 -10.523  -2.147
  275   1HG2  THR  39          1HG2      THR  39  -7.328  -8.606  -0.822
  276   2HG2  THR  39          2HG2      THR  39  -8.836  -8.262  -1.667
  277   3HG2  THR  39          3HG2      THR  39  -7.666  -9.377  -2.371
  278    H    CYS  40           H        CYS  40  -5.653 -10.308   1.286
  279    HA   CYS  40           HA       CYS  40  -3.944  -9.541  -0.870
  280   1HB   CYS  40          2HB       CYS  40  -3.541 -10.427   1.991
  281   2HB   CYS  40          1HB       CYS  40  -2.177  -9.958   0.977
  282    HA   PRO  41           HA       PRO  41  -3.014 -13.606  -2.416
  283   1HB   PRO  41          2HB       PRO  41  -1.037 -12.838  -4.150
  284   2HB   PRO  41          1HB       PRO  41  -2.765 -12.614  -4.487
  285   1HG   PRO  41          2HG       PRO  41  -0.762 -10.645  -3.493
  286   2HG   PRO  41          1HG       PRO  41  -2.067 -10.428  -4.669
  287   1HD   PRO  41          2HD       PRO  41  -2.246  -9.596  -2.092
  288   2HD   PRO  41          1HD       PRO  41  -3.657 -10.107  -3.046
  289    H    GLY  42           H        GLY  42  -0.470 -14.456  -3.116
  290   1HA   GLY  42          2HA       GLY  42   0.862 -14.512  -0.472
  291   2HA   GLY  42          1HA       GLY  42   1.193 -15.606  -1.816
  292    H    ASP  43           H        ASP  43   1.176 -12.924  -3.482
  293    HA   ASP  43           HA       ASP  43   4.097 -12.466  -3.116
  294   1HB   ASP  43          2HB       ASP  43   3.806 -11.380  -5.370
  295   2HB   ASP  43          1HB       ASP  43   3.290 -13.067  -5.338
  296    H    TYR  44           H        TYR  44   1.009 -10.981  -2.621
  297    HA   TYR  44           HA       TYR  44   2.346  -8.364  -2.017
  298   1HB   TYR  44          2HB       TYR  44  -0.526  -8.922  -2.819
  299   2HB   TYR  44          1HB       TYR  44   0.244  -7.340  -2.691
  300    HD1  TYR  44           1HD      TYR  44  -1.095  -8.774  -5.173
  301    HD2  TYR  44           2HD      TYR  44   2.957  -8.245  -3.854
  302    HE1  TYR  44           1HE      TYR  44  -0.308  -8.956  -7.519
  303    HE2  TYR  44           2HE      TYR  44   3.745  -8.427  -6.198
  304    HH   TYR  44           HH       TYR  44   3.017  -8.290  -8.397
  305    H    ALA  45           H        ALA  45   1.744 -10.860  -0.296
  306    HA   ALA  45           HA       ALA  45  -0.263  -9.836   1.615
  307   1HB   ALA  45          1HB       ALA  45   1.104 -12.106   2.612
  308   2HB   ALA  45          2HB       ALA  45   0.969 -12.342   0.869
  309   3HB   ALA  45          3HB       ALA  45  -0.481 -12.075   1.838
  310    H    ASN  46           H        ASN  46   2.496  -8.577   1.087
  311    HA   ASN  46           HA       ASN  46   3.718  -8.814   3.792
  312   1HB   ASN  46          2HB       ASN  46   4.524  -7.933   1.047
  313   2HB   ASN  46          1HB       ASN  46   5.393  -7.254   2.424
  314   1HD2  ASN  46          1HD2      ASN  46   6.695  -8.701   3.718
  315   2HD2  ASN  46          2HD2      ASN  46   7.054 -10.280   3.212
  Start of MODEL    8
    1   1H    THR   1          1HT       THR   1  -8.419  -1.245   3.886
    2   2H    THR   1          2HT       THR   1  -9.142  -2.430   4.867
    3   3H    THR   1          3HT       THR   1  -8.977  -2.691   3.196
    4    HA   THR   1           HA       THR   1  -6.676  -2.377   5.054
    5    HB   THR   1           HB       THR   1  -8.280  -4.738   4.064
    6    HG1  THR   1           1HG      THR   1  -8.823  -4.729   6.072
    7   1HG2  THR   1          1HG2      THR   1  -5.423  -4.685   5.059
    8   2HG2  THR   1          2HG2      THR   1  -6.013  -5.326   3.525
    9   3HG2  THR   1          3HG2      THR   1  -6.415  -6.144   5.035
   10    H    THR   2           H        THR   2  -4.689  -3.241   3.952
   11    HA   THR   2           HA       THR   2  -4.851  -3.159   0.970
   12    HB   THR   2           HB       THR   2  -4.286  -0.938   2.070
   13    HG1  THR   2           1HG      THR   2  -2.861  -0.517   0.492
   14   1HG2  THR   2          1HG2      THR   2  -1.515  -1.618   2.492
   15   2HG2  THR   2          2HG2      THR   2  -2.551  -2.612   3.518
   16   3HG2  THR   2          3HG2      THR   2  -2.653  -0.853   3.602
   17    H    CYS   3           H        CYS   3  -2.599  -3.807   0.047
   18    HA   CYS   3           HA       CYS   3  -1.041  -5.617   1.801
   19   1HB   CYS   3          2HB       CYS   3  -3.069  -6.417  -0.195
   20   2HB   CYS   3          1HB       CYS   3  -1.525  -7.252  -0.359
   21    H    CYS   4           H        CYS   4   0.988  -4.809   1.330
   22    HA   CYS   4           HA       CYS   4   1.623  -4.011  -1.468
   23   1HB   CYS   4          2HB       CYS   4   3.256  -3.702   1.066
   24   2HB   CYS   4          1HB       CYS   4   3.427  -2.792  -0.436
   25    HA   PRO   5           HA       PRO   5   4.173  -7.493  -2.208
   26   1HB   PRO   5          2HB       PRO   5   6.271  -6.387  -3.572
   27   2HB   PRO   5          1HB       PRO   5   4.653  -6.589  -4.276
   28   1HG   PRO   5          2HG       PRO   5   5.921  -4.157  -3.115
   29   2HG   PRO   5          1HG       PRO   5   4.883  -4.318  -4.541
   30   1HD   PRO   5          2HD       PRO   5   3.982  -3.407  -2.141
   31   2HD   PRO   5          1HD       PRO   5   2.953  -4.267  -3.308
   32    H    SER   6           H        SER   6   5.258  -4.975  -0.154
   33    HA   SER   6           HA       SER   6   6.913  -6.682   1.422
   34   1HB   SER   6          2HB       SER   6   8.428  -6.810  -0.401
   35   2HB   SER   6          1HB       SER   6   8.221  -5.107  -0.797
   36    HG   SER   6           HG       SER   6   9.755  -4.671   0.559
   37    H    ILE   7           H        ILE   7   8.718  -5.058   2.562
   38    HA   ILE   7           HA       ILE   7   7.137  -3.101   3.988
   39    HB   ILE   7           HB       ILE   7  10.137  -3.559   3.838
   40   1HG1  ILE   7          2HG1      ILE   7   8.917  -5.619   4.405
   41   2HG1  ILE   7          1HG1      ILE   7   9.753  -4.999   5.829
   42   1HG2  ILE   7          1HG2      ILE   7   8.333  -1.991   5.655
   43   2HG2  ILE   7          2HG2      ILE   7   9.913  -1.555   5.006
   44   3HG2  ILE   7          3HG2      ILE   7   9.791  -2.727   6.318
   45   1HD1  ILE   7          1HD1      ILE   7   7.304  -3.703   5.926
   46   2HD1  ILE   7          2HD1      ILE   7   7.752  -5.121   6.873
   47   3HD1  ILE   7          3HD1      ILE   7   6.883  -5.317   5.352
   48    H    VAL   8           H        VAL   8   9.473  -2.946   1.322
   49    HA   VAL   8           HA       VAL   8   9.995  -0.167   1.269
   50    HB   VAL   8           HB       VAL   8   9.546  -2.044  -1.076
   51   1HG1  VAL   8          1HG1      VAL   8  11.260   0.434  -0.715
   52   2HG1  VAL   8          2HG1      VAL   8   9.826   0.297  -1.731
   53   3HG1  VAL   8          3HG1      VAL   8  11.284  -0.606  -2.139
   54   1HG2  VAL   8          1HG2      VAL   8  12.297  -1.781  -0.376
   55   2HG2  VAL   8          2HG2      VAL   8  11.301  -3.236  -0.321
   56   3HG2  VAL   8          3HG2      VAL   8  11.417  -2.193   1.095
   57    H    ALA   9           H        ALA   9   7.543  -1.875  -0.722
   58    HA   ALA   9           HA       ALA   9   6.169   0.438  -1.625
   59   1HB   ALA   9          1HB       ALA   9   4.251  -1.309  -1.785
   60   2HB   ALA   9          2HB       ALA   9   5.425  -2.447  -1.123
   61   3HB   ALA   9          3HB       ALA   9   5.741  -1.651  -2.665
   62    H    ARG  10           H        ARG  10   4.947  -1.805   0.887
   63    HA   ARG  10           HA       ARG  10   2.908  -0.333   1.990
   64   1HB   ARG  10          2HB       ARG  10   4.039  -2.622   2.549
   65   2HB   ARG  10          1HB       ARG  10   4.969  -1.689   3.716
   66   1HG   ARG  10          2HG       ARG  10   3.231  -1.827   5.140
   67   2HG   ARG  10          1HG       ARG  10   2.272  -0.875   4.005
   68   1HD   ARG  10          2HD       ARG  10   0.964  -2.748   3.888
   69   2HD   ARG  10          1HD       ARG  10   2.242  -3.373   2.831
   70    HE   ARG  10           HE       ARG  10   3.132  -4.616   4.670
   71   1HH1  ARG  10          1HH2      ARG  10   0.048  -4.711   5.175
   72   2HH1  ARG  10          2HH2      ARG  10   0.025  -4.478   6.891
   73   1HH2  ARG  10          1HH1      ARG  10   3.311  -3.386   7.058
   74   2HH2  ARG  10          2HH1      ARG  10   1.869  -3.726   7.955
   75    H    SER  11           H        SER  11   6.389   0.155   2.576
   76    HA   SER  11           HA       SER  11   6.104   2.140   4.640
   77   1HB   SER  11          2HB       SER  11   8.200   1.064   4.395
   78   2HB   SER  11          1HB       SER  11   8.228   1.328   2.654
   79    HG   SER  11           HG       SER  11   9.494   2.762   4.240
   80    H    ASN  12           H        ASN  12   6.699   2.443   1.119
   81    HA   ASN  12           HA       ASN  12   6.695   5.275   0.955
   82   1HB   ASN  12          2HB       ASN  12   5.527   3.360  -1.082
   83   2HB   ASN  12          1HB       ASN  12   6.363   4.881  -1.391
   84   1HD2  ASN  12          1HD2      ASN  12   7.119   2.172  -2.387
   85   2HD2  ASN  12          2HD2      ASN  12   8.683   1.879  -1.801
   86    H    PHE  13           H        PHE  13   3.961   3.074   0.213
   87    HA   PHE  13           HA       PHE  13   1.918   4.972  -0.064
   88   1HB   PHE  13          2HB       PHE  13   1.243   2.823  -0.554
   89   2HB   PHE  13          1HB       PHE  13   2.204   2.117   0.736
   90    HD1  PHE  13           1HD      PHE  13   0.637   0.755   1.874
   91    HD2  PHE  13           2HD      PHE  13  -0.330   4.847   1.000
   92    HE1  PHE  13           1HE      PHE  13  -1.381   0.586   3.305
   93    HE2  PHE  13           2HE      PHE  13  -2.339   4.681   2.434
   94    HZ   PHE  13           HZ       PHE  13  -2.872   2.548   3.584
   95    H    ASN  14           H        ASN  14   3.255   3.569   2.904
   96    HA   ASN  14           HA       ASN  14   1.370   4.799   4.728
   97   1HB   ASN  14          2HB       ASN  14   3.860   3.238   4.764
   98   2HB   ASN  14          1HB       ASN  14   3.760   4.391   6.095
   99   1HD2  ASN  14          1HD2      ASN  14   3.445   1.361   6.109
  100   2HD2  ASN  14          2HD2      ASN  14   1.935   1.090   6.834
  101    H    VAL  15           H        VAL  15   4.401   5.750   3.270
  102    HA   VAL  15           HA       VAL  15   4.907   8.095   4.858
  103    HB   VAL  15           HB       VAL  15   5.926   6.598   2.605
  104   1HG1  VAL  15          1HG1      VAL  15   5.219   8.421   1.168
  105   2HG1  VAL  15          2HG1      VAL  15   6.969   8.506   1.372
  106   3HG1  VAL  15          3HG1      VAL  15   5.921   9.609   2.266
  107   1HG2  VAL  15          1HG2      VAL  15   7.919   8.288   3.403
  108   2HG2  VAL  15          2HG2      VAL  15   7.506   6.775   4.210
  109   3HG2  VAL  15          3HG2      VAL  15   6.859   8.301   4.813
  110    H    CYS  16           H        CYS  16   2.676   7.334   2.359
  111    HA   CYS  16           HA       CYS  16   2.223  10.100   1.477
  112   1HB   CYS  16          2HB       CYS  16   1.785   7.405   0.624
  113   2HB   CYS  16          1HB       CYS  16   0.236   8.239   0.640
  114    H    ARG  17           H        ARG  17   0.816   7.779   3.717
  115    HA   ARG  17           HA       ARG  17  -1.738   9.140   4.024
  116   1HB   ARG  17          2HB       ARG  17  -0.188   7.135   5.699
  117   2HB   ARG  17          1HB       ARG  17  -1.864   7.594   6.006
  118   1HG   ARG  17          2HG       ARG  17  -1.055   6.640   3.273
  119   2HG   ARG  17          1HG       ARG  17  -1.370   5.469   4.555
  120   1HD   ARG  17          2HD       ARG  17  -3.381   7.653   4.138
  121   2HD   ARG  17          1HD       ARG  17  -3.353   6.302   2.988
  122    HE   ARG  17           HE       ARG  17  -3.243   4.937   5.307
  123   1HH1  ARG  17          1HH1      ARG  17  -4.496   7.967   5.728
  124   2HH1  ARG  17          2HH1      ARG  17  -6.089   7.464   6.184
  125   1HH2  ARG  17          1HH2      ARG  17  -5.575   4.144   5.323
  126   2HH2  ARG  17          2HH2      ARG  17  -6.701   5.298   5.954
  127    H    LEU  18           H        LEU  18   1.428   9.847   5.000
  128    HA   LEU  18           HA       LEU  18   0.933  11.024   7.586
  129   1HB   LEU  18          2HB       LEU  18   3.045  10.507   5.678
  130   2HB   LEU  18          1HB       LEU  18   3.194  12.135   6.325
  131    HG   LEU  18           HG       LEU  18   2.890   9.614   7.971
  132   1HD1  LEU  18          1HD1      LEU  18   5.128   9.422   7.827
  133   2HD1  LEU  18          2HD1      LEU  18   5.308  11.049   8.486
  134   3HD1  LEU  18          3HD1      LEU  18   5.180  10.812   6.743
  135   1HD2  LEU  18          1HD2      LEU  18   3.733  12.274   9.069
  136   2HD2  LEU  18          2HD2      LEU  18   2.886  10.950   9.872
  137   3HD2  LEU  18          3HD2      LEU  18   2.019  12.001   8.752
  138    HA   PRO  19           HA       PRO  19   0.989  15.138   5.131
  139   1HB   PRO  19          2HB       PRO  19   0.926  14.999   2.398
  140   2HB   PRO  19          1HB       PRO  19   2.433  15.037   3.336
  141   1HG   PRO  19          2HG       PRO  19   1.032  12.718   2.103
  142   2HG   PRO  19          1HG       PRO  19   2.766  13.062   2.214
  143   1HD   PRO  19          2HD       PRO  19   1.488  11.297   3.839
  144   2HD   PRO  19          1HD       PRO  19   2.937  12.199   4.329
  145    H    GLY  20           H        GLY  20  -0.571  13.632   2.361
  146   1HA   GLY  20          2HA       GLY  20  -3.224  13.633   3.568
  147   2HA   GLY  20          1HA       GLY  20  -2.972  14.993   2.472
  148    H    THR  21           H        THR  21  -1.374  11.941   1.913
  149    HA   THR  21           HA       THR  21  -2.737  11.708  -0.668
  150    HB   THR  21           HB       THR  21  -0.679   9.882   0.562
  151    HG1  THR  21           1HG      THR  21  -0.477  12.484  -0.348
  152   1HG2  THR  21          1HG2      THR  21  -1.124   8.833  -1.386
  153   2HG2  THR  21          2HG2      THR  21  -0.220  10.142  -2.148
  154   3HG2  THR  21          3HG2      THR  21  -1.976  10.228  -2.044
  155    HA   PRO  22           HA       PRO  22  -5.483   8.668   1.034
  156   1HB   PRO  22          2HB       PRO  22  -6.699   8.076  -1.349
  157   2HB   PRO  22          1HB       PRO  22  -7.095   9.513  -0.387
  158   1HG   PRO  22          2HG       PRO  22  -5.376   9.269  -2.800
  159   2HG   PRO  22          1HG       PRO  22  -6.496  10.559  -2.346
  160   1HD   PRO  22          2HD       PRO  22  -3.779  10.751  -2.025
  161   2HD   PRO  22          1HD       PRO  22  -4.950  11.605  -1.009
  162    H    GLU  23           H        GLU  23  -4.693   6.707   1.444
  163    HA   GLU  23           HA       GLU  23  -2.594   5.284   0.517
  164   1HB   GLU  23          2HB       GLU  23  -3.821   3.267   1.219
  165   2HB   GLU  23          1HB       GLU  23  -4.183   4.612   2.301
  166   1HG   GLU  23          2HG       GLU  23  -6.189   5.060   0.709
  167   2HG   GLU  23          1HG       GLU  23  -5.917   3.407   0.154
  168    H    ALA  24           H        ALA  24  -5.614   5.655  -1.267
  169    HA   ALA  24           HA       ALA  24  -5.178   3.553  -3.186
  170   1HB   ALA  24          1HB       ALA  24  -6.989   5.793  -2.656
  171   2HB   ALA  24          2HB       ALA  24  -7.340   4.213  -3.356
  172   3HB   ALA  24          3HB       ALA  24  -6.741   5.517  -4.381
  173    H    LEU  25           H        LEU  25  -4.468   7.073  -3.257
  174    HA   LEU  25           HA       LEU  25  -3.447   7.068  -5.947
  175   1HB   LEU  25          2HB       LEU  25  -4.213   8.906  -4.138
  176   2HB   LEU  25          1HB       LEU  25  -2.465   9.029  -3.947
  177    HG   LEU  25           HG       LEU  25  -3.461   8.898  -6.732
  178   1HD1  LEU  25          1HD1      LEU  25  -4.735  10.758  -6.716
  179   2HD1  LEU  25          2HD1      LEU  25  -3.548  11.635  -5.749
  180   3HD1  LEU  25          3HD1      LEU  25  -4.758  10.624  -4.958
  181   1HD2  LEU  25          1HD2      LEU  25  -1.580  10.246  -7.150
  182   2HD2  LEU  25          2HD2      LEU  25  -1.049   9.259  -5.789
  183   3HD2  LEU  25          3HD2      LEU  25  -1.584  10.917  -5.519
  184    H    CYS  26           H        CYS  26  -1.856   6.610  -2.771
  185    HA   CYS  26           HA       CYS  26   0.783   6.543  -4.133
  186   1HB   CYS  26          2HB       CYS  26  -0.215   7.229  -1.574
  187   2HB   CYS  26          1HB       CYS  26   0.859   5.848  -1.347
  188    H    ALA  27           H        ALA  27  -1.651   4.315  -3.171
  189    HA   ALA  27           HA       ALA  27   0.193   2.069  -2.825
  190   1HB   ALA  27          1HB       ALA  27  -1.939   0.797  -2.665
  191   2HB   ALA  27          2HB       ALA  27  -2.812   2.248  -3.156
  192   3HB   ALA  27          3HB       ALA  27  -1.955   2.213  -1.615
  193    H    THR  28           H        THR  28  -1.761   3.519  -5.200
  194    HA   THR  28           HA       THR  28  -1.436   1.453  -7.245
  195    HB   THR  28           HB       THR  28  -2.784   4.061  -6.816
  196    HG1  THR  28           1HG      THR  28  -4.425   2.838  -7.271
  197   1HG2  THR  28          1HG2      THR  28  -1.695   3.248  -9.496
  198   2HG2  THR  28          2HG2      THR  28  -1.752   4.849  -8.760
  199   3HG2  THR  28          3HG2      THR  28  -3.227   4.114  -9.388
  200    H    TYR  29           H        TYR  29   0.155   4.428  -6.243
  201    HA   TYR  29           HA       TYR  29   1.834   4.550  -8.670
  202   1HB   TYR  29          2HB       TYR  29   1.056   6.605  -7.651
  203   2HB   TYR  29          1HB       TYR  29   1.685   6.117  -6.078
  204    HD1  TYR  29           1HD      TYR  29   3.385   7.681  -5.591
  205    HD2  TYR  29           2HD      TYR  29   3.254   5.809  -9.455
  206    HE1  TYR  29           1HE      TYR  29   5.582   8.686  -6.152
  207    HE2  TYR  29           2HE      TYR  29   5.451   6.814 -10.016
  208    HH   TYR  29           HH       TYR  29   6.922   8.484  -9.386
  209    H    THR  30           H        THR  30   2.127   3.562  -5.266
  210    HA   THR  30           HA       THR  30   5.021   3.100  -5.544
  211    HB   THR  30           HB       THR  30   3.664   3.959  -3.505
  212    HG1  THR  30           1HG      THR  30   5.335   1.839  -2.805
  213   1HG2  THR  30          1HG2      THR  30   2.056   2.042  -3.575
  214   2HG2  THR  30          2HG2      THR  30   2.839   2.255  -2.009
  215   3HG2  THR  30          3HG2      THR  30   3.380   0.977  -3.100
  216    H    GLY  31           H        GLY  31   2.171   1.324  -6.184
  217   1HA   GLY  31          2HA       GLY  31   2.516  -0.813  -7.411
  218   2HA   GLY  31          1HA       GLY  31   3.788  -1.192  -6.250
  219    H    CYS  32           H        CYS  32   2.543  -0.570  -3.844
  220    HA   CYS  32           HA       CYS  32   1.152  -2.860  -3.111
  221   1HB   CYS  32          2HB       CYS  32   2.039  -0.918  -1.709
  222   2HB   CYS  32          1HB       CYS  32   0.540  -0.072  -2.091
  223    H    ILE  33           H        ILE  33  -1.289  -2.893  -2.435
  224    HA   ILE  33           HA       ILE  33  -2.985  -1.429  -4.409
  225    HB   ILE  33           HB       ILE  33  -4.134  -3.702  -4.750
  226   1HG1  ILE  33          2HG1      ILE  33  -1.524  -4.902  -3.892
  227   2HG1  ILE  33          1HG1      ILE  33  -2.738  -4.556  -2.659
  228   1HG2  ILE  33          1HG2      ILE  33  -1.597  -4.326  -5.894
  229   2HG2  ILE  33          2HG2      ILE  33  -1.768  -2.572  -5.908
  230   3HG2  ILE  33          3HG2      ILE  33  -2.987  -3.583  -6.684
  231   1HD1  ILE  33          1HD1      ILE  33  -3.343  -6.718  -3.278
  232   2HD1  ILE  33          2HD1      ILE  33  -2.869  -6.478  -4.960
  233   3HD1  ILE  33          3HD1      ILE  33  -4.363  -5.762  -4.354
  234    H    ILE  34           H        ILE  34  -5.209  -1.225  -3.692
  235    HA   ILE  34           HA       ILE  34  -5.494  -1.419  -0.748
  236    HB   ILE  34           HB       ILE  34  -7.563  -0.420  -2.702
  237   1HG1  ILE  34          2HG1      ILE  34  -5.277   0.540  -3.279
  238   2HG1  ILE  34          1HG1      ILE  34  -6.499   1.719  -2.819
  239   1HG2  ILE  34          1HG2      ILE  34  -8.119   1.076  -0.864
  240   2HG2  ILE  34          2HG2      ILE  34  -6.715   0.525   0.051
  241   3HG2  ILE  34          3HG2      ILE  34  -8.054  -0.579  -0.259
  242   1HD1  ILE  34          1HD1      ILE  34  -4.298   0.625  -1.049
  243   2HD1  ILE  34          2HD1      ILE  34  -5.593   1.681  -0.486
  244   3HD1  ILE  34          3HD1      ILE  34  -4.430   2.269  -1.674
  245    H    ILE  35           H        ILE  35  -7.553  -2.360   0.108
  246    HA   ILE  35           HA       ILE  35  -9.114  -4.181  -1.558
  247    HB   ILE  35           HB       ILE  35  -8.205  -6.172  -0.063
  248   1HG1  ILE  35          2HG1      ILE  35  -5.809  -4.310  -0.167
  249   2HG1  ILE  35          1HG1      ILE  35  -6.737  -4.665   1.291
  250   1HG2  ILE  35          1HG2      ILE  35  -6.176  -5.479  -2.086
  251   2HG2  ILE  35          2HG2      ILE  35  -7.841  -5.386  -2.661
  252   3HG2  ILE  35          3HG2      ILE  35  -7.226  -6.892  -1.979
  253   1HD1  ILE  35          1HD1      ILE  35  -5.554  -6.884  -0.374
  254   2HD1  ILE  35          2HD1      ILE  35  -6.060  -6.925   1.315
  255   3HD1  ILE  35          3HD1      ILE  35  -4.595  -6.059   0.855
  256    HA   PRO  36           HA       PRO  36 -11.800  -3.764   1.894
  257   1HB   PRO  36          2HB       PRO  36 -13.377  -5.972   1.541
  258   2HB   PRO  36          1HB       PRO  36 -13.478  -4.542   0.494
  259   1HG   PRO  36          2HG       PRO  36 -12.162  -7.159   0.004
  260   2HG   PRO  36          1HG       PRO  36 -13.022  -6.097  -1.121
  261   1HD   PRO  36          2HD       PRO  36 -10.286  -6.282  -0.948
  262   2HD   PRO  36          1HD       PRO  36 -11.158  -4.868  -1.580
  263    H    GLY  37           H        GLY  37 -10.076  -6.795   1.387
  264   1HA   GLY  37          2HA       GLY  37 -10.039  -7.196   4.346
  265   2HA   GLY  37          1HA       GLY  37 -10.301  -8.556   3.255
  266    H    ALA  38           H        ALA  38  -8.422  -9.685   3.653
  267    HA   ALA  38           HA       ALA  38  -5.870  -8.347   2.817
  268   1HB   ALA  38          1HB       ALA  38  -4.975  -8.805   4.844
  269   2HB   ALA  38          2HB       ALA  38  -5.638 -10.440   4.842
  270   3HB   ALA  38          3HB       ALA  38  -6.632  -9.087   5.379
  271    H    THR  39           H        THR  39  -7.724 -10.103   1.367
  272    HA   THR  39           HA       THR  39  -6.555 -12.765   1.279
  273    HB   THR  39           HB       THR  39  -8.950 -11.623   0.674
  274    HG1  THR  39           1HG      THR  39  -9.424 -13.650   0.481
  275   1HG2  THR  39          1HG2      THR  39  -7.954 -10.650  -1.412
  276   2HG2  THR  39          2HG2      THR  39  -9.327 -11.716  -1.711
  277   3HG2  THR  39          3HG2      THR  39  -7.684 -12.293  -1.990
  278    H    CYS  40           H        CYS  40  -5.205 -10.028   0.360
  279    HA   CYS  40           HA       CYS  40  -4.461 -10.050  -2.305
  280   1HB   CYS  40          2HB       CYS  40  -2.140  -9.343  -1.324
  281   2HB   CYS  40          1HB       CYS  40  -3.548  -8.355  -0.947
  282    HA   PRO  41           HA       PRO  41  -2.327 -13.754  -3.192
  283   1HB   PRO  41          2HB       PRO  41  -0.185 -12.912  -4.674
  284   2HB   PRO  41          1HB       PRO  41  -1.852 -12.906  -5.286
  285   1HG   PRO  41          2HG       PRO  41  -0.235 -10.658  -4.185
  286   2HG   PRO  41          1HG       PRO  41  -1.342 -10.680  -5.567
  287   1HD   PRO  41          2HD       PRO  41  -2.031  -9.670  -3.148
  288   2HD   PRO  41          1HD       PRO  41  -3.208 -10.421  -4.247
  289    H    GLY  42           H        GLY  42   0.056 -14.728  -3.179
  290   1HA   GLY  42          2HA       GLY  42   1.091 -14.304  -0.484
  291   2HA   GLY  42          1HA       GLY  42   1.699 -15.473  -1.656
  292    H    ASP  43           H        ASP  43   1.686 -12.873  -3.509
  293    HA   ASP  43           HA       ASP  43   4.518 -12.223  -2.878
  294   1HB   ASP  43          2HB       ASP  43   3.270 -12.857  -5.181
  295   2HB   ASP  43          1HB       ASP  43   3.059 -11.105  -5.230
  296    H    TYR  44           H        TYR  44   1.331 -10.895  -2.670
  297    HA   TYR  44           HA       TYR  44   2.472  -8.196  -2.037
  298   1HB   TYR  44          2HB       TYR  44  -0.310  -8.950  -2.981
  299   2HB   TYR  44          1HB       TYR  44   0.357  -7.321  -2.856
  300    HD1  TYR  44           1HD      TYR  44   3.183  -8.109  -3.837
  301    HD2  TYR  44           2HD      TYR  44  -0.753  -8.878  -5.370
  302    HE1  TYR  44           1HE      TYR  44   4.115  -8.309  -6.127
  303    HE2  TYR  44           2HE      TYR  44   0.177  -9.078  -7.660
  304    HH   TYR  44           HH       TYR  44   2.122  -8.382  -8.921
  305    H    ALA  45           H        ALA  45   1.615 -10.852  -0.466
  306    HA   ALA  45           HA       ALA  45  -0.351  -9.731   1.432
  307   1HB   ALA  45          1HB       ALA  45   0.258 -12.061   2.501
  308   2HB   ALA  45          2HB       ALA  45   1.065 -12.341   0.958
  309   3HB   ALA  45          3HB       ALA  45  -0.667 -12.011   1.001
  310    H    ASN  46           H        ASN  46   2.368  -8.483   1.180
  311    HA   ASN  46           HA       ASN  46   3.253  -8.883   4.018
  312   1HB   ASN  46          2HB       ASN  46   4.774  -9.932   2.374
  313   2HB   ASN  46          1HB       ASN  46   4.924  -8.389   1.531
  314   1HD2  ASN  46          1HD2      ASN  46   5.806  -6.528   2.928
  315   2HD2  ASN  46          2HD2      ASN  46   6.960  -6.911   4.112
  Start of MODEL    9
    1   1H    THR   1          1HT       THR   1  -8.970  -3.619   3.354
    2   2H    THR   1          2HT       THR   1  -8.352  -3.544   1.773
    3   3H    THR   1          3HT       THR   1  -8.404  -2.144   2.735
    4    HA   THR   1           HA       THR   1  -6.654  -2.838   4.093
    5    HB   THR   1           HB       THR   1  -7.484  -5.525   2.985
    6    HG1  THR   1           1HG      THR   1  -7.008  -4.969   5.668
    7   1HG2  THR   1          1HG2      THR   1  -4.874  -4.680   4.149
    8   2HG2  THR   1          2HG2      THR   1  -5.225  -5.954   2.982
    9   3HG2  THR   1          3HG2      THR   1  -5.542  -6.219   4.695
   10    H    THR   2           H        THR   2  -4.717  -2.147   3.273
   11    HA   THR   2           HA       THR   2  -4.226  -2.212   0.389
   12    HB   THR   2           HB       THR   2  -2.483  -1.344   2.719
   13    HG1  THR   2           1HG      THR   2  -4.578  -0.346   2.594
   14   1HG2  THR   2          1HG2      THR   2  -2.300  -1.132  -0.241
   15   2HG2  THR   2          2HG2      THR   2  -1.015  -1.215   0.964
   16   3HG2  THR   2          3HG2      THR   2  -1.861   0.305   0.681
   17    H    CYS   3           H        CYS   3  -1.990  -2.983  -0.384
   18    HA   CYS   3           HA       CYS   3  -0.919  -5.285   1.169
   19   1HB   CYS   3          2HB       CYS   3  -2.096  -5.388  -1.625
   20   2HB   CYS   3          1HB       CYS   3  -1.193  -6.708  -0.883
   21    H    CYS   4           H        CYS   4   1.284  -5.251   1.023
   22    HA   CYS   4           HA       CYS   4   2.535  -3.950  -1.373
   23   1HB   CYS   4          2HB       CYS   4   3.169  -3.786   1.585
   24   2HB   CYS   4          1HB       CYS   4   4.278  -3.211   0.340
   25    HA   PRO   5           HA       PRO   5   4.626  -7.813  -1.708
   26   1HB   PRO   5          2HB       PRO   5   6.644  -7.025  -3.378
   27   2HB   PRO   5          1HB       PRO   5   4.971  -7.265  -3.923
   28   1HG   PRO   5          2HG       PRO   5   6.406  -4.740  -3.270
   29   2HG   PRO   5          1HG       PRO   5   5.246  -5.076  -4.564
   30   1HD   PRO   5          2HD       PRO   5   4.594  -3.759  -2.268
   31   2HD   PRO   5          1HD       PRO   5   3.434  -4.720  -3.211
   32    H    SER   6           H        SER   6   5.927  -5.076  -0.141
   33    HA   SER   6           HA       SER   6   7.683  -6.592   1.525
   34   1HB   SER   6          2HB       SER   6   9.841  -5.683   0.461
   35   2HB   SER   6          1HB       SER   6   9.020  -6.969  -0.415
   36    HG   SER   6           HG       SER   6   8.494  -5.599  -1.946
   37    H    ILE   7           H        ILE   7   8.992  -5.156   2.940
   38    HA   ILE   7           HA       ILE   7   7.708  -2.899   3.928
   39    HB   ILE   7           HB       ILE   7  10.650  -3.610   3.739
   40   1HG1  ILE   7          2HG1      ILE   7   8.541  -3.954   5.894
   41   2HG1  ILE   7          1HG1      ILE   7   9.272  -5.239   4.933
   42   1HG2  ILE   7          1HG2      ILE   7   9.344  -1.630   5.626
   43   2HG2  ILE   7          2HG2      ILE   7  10.249  -1.160   4.188
   44   3HG2  ILE   7          3HG2      ILE   7  11.062  -2.006   5.504
   45   1HD1  ILE   7          1HD1      ILE   7  10.346  -5.119   7.137
   46   2HD1  ILE   7          2HD1      ILE   7  10.733  -3.419   6.869
   47   3HD1  ILE   7          3HD1      ILE   7  11.492  -4.663   5.875
   48    H    VAL   8           H        VAL   8   9.823  -3.146   1.123
   49    HA   VAL   8           HA       VAL   8  10.505  -0.462   0.647
   50    HB   VAL   8           HB       VAL   8   9.678  -2.699  -1.230
   51   1HG1  VAL   8          1HG1      VAL   8   9.577  -0.466  -2.325
   52   2HG1  VAL   8          2HG1      VAL   8  10.878  -1.465  -2.973
   53   3HG1  VAL   8          3HG1      VAL   8  11.244  -0.172  -1.831
   54   1HG2  VAL   8          1HG2      VAL   8  11.877  -2.409   0.490
   55   2HG2  VAL   8          2HG2      VAL   8  12.494  -1.980  -1.105
   56   3HG2  VAL   8          3HG2      VAL   8  11.735  -3.551  -0.847
   57    H    ALA   9           H        ALA   9   7.688  -2.131  -0.831
   58    HA   ALA   9           HA       ALA   9   6.403   0.321  -1.649
   59   1HB   ALA   9          1HB       ALA   9   4.859  -2.177  -1.082
   60   2HB   ALA   9          2HB       ALA   9   6.160  -2.284  -2.267
   61   3HB   ALA   9          3HB       ALA   9   4.831  -1.150  -2.515
   62    H    ARG  10           H        ARG  10   5.665  -1.980   0.991
   63    HA   ARG  10           HA       ARG  10   3.575  -0.747   2.305
   64   1HB   ARG  10          2HB       ARG  10   4.972  -2.863   2.794
   65   2HB   ARG  10          1HB       ARG  10   6.030  -1.799   3.718
   66   1HG   ARG  10          2HG       ARG  10   4.431  -2.705   5.267
   67   2HG   ARG  10          1HG       ARG  10   3.965  -1.027   4.980
   68   1HD   ARG  10          2HD       ARG  10   1.920  -1.787   4.367
   69   2HD   ARG  10          1HD       ARG  10   2.686  -2.538   2.955
   70    HE   ARG  10           HE       ARG  10   3.220  -4.477   4.592
   71   1HH1  ARG  10          1HH2      ARG  10   1.098  -2.289   5.981
   72   2HH1  ARG  10          2HH2      ARG  10  -0.142  -3.444   6.340
   73   1HH2  ARG  10          1HH1      ARG  10   1.371  -6.017   4.575
   74   2HH2  ARG  10          2HH1      ARG  10   0.012  -5.554   5.544
   75    H    SER  11           H        SER  11   6.969   0.264   2.293
   76    HA   SER  11           HA       SER  11   6.720   2.243   4.389
   77   1HB   SER  11          2HB       SER  11   8.847   1.256   3.728
   78   2HB   SER  11          1HB       SER  11   8.649   1.843   2.080
   79    HG   SER  11           HG       SER  11   8.940   3.903   2.780
   80    H    ASN  12           H        ASN  12   6.783   2.509   0.810
   81    HA   ASN  12           HA       ASN  12   6.343   5.340   0.705
   82   1HB   ASN  12          2HB       ASN  12   5.421   3.278  -1.308
   83   2HB   ASN  12          1HB       ASN  12   5.985   4.918  -1.624
   84   1HD2  ASN  12          1HD2      ASN  12   7.164   2.505  -2.798
   85   2HD2  ASN  12          2HD2      ASN  12   8.764   2.413  -2.243
   86    H    PHE  13           H        PHE  13   4.019   2.667   0.133
   87    HA   PHE  13           HA       PHE  13   1.632   4.002  -0.162
   88   1HB   PHE  13          2HB       PHE  13   1.547   1.666  -0.208
   89   2HB   PHE  13          1HB       PHE  13   2.488   1.505   1.273
   90    HD1  PHE  13           1HD      PHE  13  -0.570   3.539   0.538
   91    HD2  PHE  13           2HD      PHE  13   1.153   0.316   2.794
   92    HE1  PHE  13           1HE      PHE  13  -2.661   3.339   1.853
   93    HE2  PHE  13           2HE      PHE  13  -0.941   0.115   4.109
   94    HZ   PHE  13           HZ       PHE  13  -2.849   1.627   3.638
   95    H    ASN  14           H        ASN  14   3.307   3.408   2.926
   96    HA   ASN  14           HA       ASN  14   1.270   4.875   4.464
   97   1HB   ASN  14          2HB       ASN  14   3.752   3.289   4.929
   98   2HB   ASN  14          1HB       ASN  14   3.333   4.477   6.164
   99   1HD2  ASN  14          1HD2      ASN  14   2.841   1.275   5.364
  100   2HD2  ASN  14          2HD2      ASN  14   1.357   1.020   6.150
  101    H    VAL  15           H        VAL  15   4.329   5.535   2.908
  102    HA   VAL  15           HA       VAL  15   4.980   7.942   4.386
  103    HB   VAL  15           HB       VAL  15   6.038   6.238   2.333
  104   1HG1  VAL  15          1HG1      VAL  15   6.170   9.190   1.640
  105   2HG1  VAL  15          2HG1      VAL  15   5.329   7.953   0.706
  106   3HG1  VAL  15          3HG1      VAL  15   7.085   7.907   0.848
  107   1HG2  VAL  15          1HG2      VAL  15   7.477   6.645   4.082
  108   2HG2  VAL  15          2HG2      VAL  15   6.996   8.336   4.225
  109   3HG2  VAL  15          3HG2      VAL  15   8.089   7.836   2.934
  110    H    CYS  16           H        CYS  16   3.043   7.214   1.530
  111    HA   CYS  16           HA       CYS  16   2.685  10.050   0.828
  112   1HB   CYS  16          2HB       CYS  16   2.710   8.750  -1.070
  113   2HB   CYS  16          1HB       CYS  16   2.089   7.336  -0.231
  114    H    ARG  17           H        ARG  17   0.984   7.546   2.603
  115    HA   ARG  17           HA       ARG  17  -1.547   9.035   2.716
  116   1HB   ARG  17          2HB       ARG  17  -0.707   6.389   2.899
  117   2HB   ARG  17          1HB       ARG  17  -1.121   6.799   4.563
  118   1HG   ARG  17          2HG       ARG  17  -2.955   7.435   2.248
  119   2HG   ARG  17          1HG       ARG  17  -3.032   5.899   3.115
  120   1HD   ARG  17          2HD       ARG  17  -3.109   7.455   5.255
  121   2HD   ARG  17          1HD       ARG  17  -3.705   8.655   4.090
  122    HE   ARG  17           HE       ARG  17  -5.082   6.243   3.560
  123   1HH1  ARG  17          1HH1      ARG  17  -4.600   6.948   6.701
  124   2HH1  ARG  17          2HH1      ARG  17  -6.227   7.404   7.082
  125   1HH2  ARG  17          1HH2      ARG  17  -7.250   7.521   3.773
  126   2HH2  ARG  17          2HH2      ARG  17  -7.726   7.730   5.424
  127    H    LEU  18           H        LEU  18   1.414   9.303   4.237
  128    HA   LEU  18           HA       LEU  18   0.570   9.734   6.977
  129   1HB   LEU  18          2HB       LEU  18   2.932   9.517   5.363
  130   2HB   LEU  18          1HB       LEU  18   3.043  10.979   6.334
  131    HG   LEU  18           HG       LEU  18   2.408   8.211   7.386
  132   1HD1  LEU  18          1HD1      LEU  18   4.846   9.056   6.605
  133   2HD1  LEU  18          2HD1      LEU  18   4.610   8.003   8.002
  134   3HD1  LEU  18          3HD1      LEU  18   4.819   9.739   8.231
  135   1HD2  LEU  18          1HD2      LEU  18   2.347  10.950   8.560
  136   2HD2  LEU  18          2HD2      LEU  18   3.037   9.673   9.563
  137   3HD2  LEU  18          3HD2      LEU  18   1.383   9.530   8.968
  138    HA   PRO  19           HA       PRO  19   1.074  14.318   5.658
  139   1HB   PRO  19          2HB       PRO  19   0.963  14.892   2.987
  140   2HB   PRO  19          1HB       PRO  19   2.480  14.576   3.851
  141   1HG   PRO  19          2HG       PRO  19   0.898  12.784   2.088
  142   2HG   PRO  19          1HG       PRO  19   2.652  12.932   2.272
  143   1HD   PRO  19          2HD       PRO  19   1.160  10.937   3.387
  144   2HD   PRO  19          1HD       PRO  19   2.717  11.484   4.036
  145    H    GLY  20           H        GLY  20  -0.686  13.562   2.675
  146   1HA   GLY  20          2HA       GLY  20  -3.269  13.699   4.065
  147   2HA   GLY  20          1HA       GLY  20  -2.910  15.084   3.035
  148    H    THR  21           H        THR  21  -1.804  11.839   2.210
  149    HA   THR  21           HA       THR  21  -3.509  11.984  -0.191
  150    HB   THR  21           HB       THR  21  -1.398   9.936   0.358
  151    HG1  THR  21           1HG      THR  21  -0.974  12.610  -0.512
  152   1HG2  THR  21          1HG2      THR  21  -1.068  10.463  -2.168
  153   2HG2  THR  21          2HG2      THR  21  -2.618  11.287  -2.037
  154   3HG2  THR  21          3HG2      THR  21  -2.504   9.564  -1.678
  155    HA   PRO  22           HA       PRO  22  -5.982   8.716   1.404
  156   1HB   PRO  22          2HB       PRO  22  -7.179   8.049  -0.966
  157   2HB   PRO  22          1HB       PRO  22  -7.623   9.493  -0.035
  158   1HG   PRO  22          2HG       PRO  22  -5.926   9.256  -2.463
  159   2HG   PRO  22          1HG       PRO  22  -7.050  10.541  -1.992
  160   1HD   PRO  22          2HD       PRO  22  -4.310  10.705  -1.718
  161   2HD   PRO  22          1HD       PRO  22  -5.462  11.639  -0.759
  162    H    GLU  23           H        GLU  23  -5.241   6.710   1.770
  163    HA   GLU  23           HA       GLU  23  -3.063   5.365   0.906
  164   1HB   GLU  23          2HB       GLU  23  -4.501   3.251   1.256
  165   2HB   GLU  23          1HB       GLU  23  -4.448   4.412   2.581
  166   1HG   GLU  23          2HG       GLU  23  -6.695   4.528   2.493
  167   2HG   GLU  23          1HG       GLU  23  -6.552   5.264   0.899
  168    H    ALA  24           H        ALA  24  -5.977   5.776  -1.046
  169    HA   ALA  24           HA       ALA  24  -5.550   3.752  -2.998
  170   1HB   ALA  24          1HB       ALA  24  -7.372   5.726  -2.476
  171   2HB   ALA  24          2HB       ALA  24  -7.335   4.796  -3.974
  172   3HB   ALA  24          3HB       ALA  24  -6.566   6.381  -3.902
  173    H    LEU  25           H        LEU  25  -4.462   7.176  -2.958
  174    HA   LEU  25           HA       LEU  25  -2.967   7.008  -5.416
  175   1HB   LEU  25          2HB       LEU  25  -3.735   8.841  -3.357
  176   2HB   LEU  25          1HB       LEU  25  -1.999   8.986  -3.599
  177    HG   LEU  25           HG       LEU  25  -3.355  10.482  -5.074
  178   1HD1  LEU  25          1HD1      LEU  25  -1.051   9.549  -5.655
  179   2HD1  LEU  25          2HD1      LEU  25  -2.020  10.098  -7.022
  180   3HD1  LEU  25          3HD1      LEU  25  -1.888   8.375  -6.669
  181   1HD2  LEU  25          1HD2      LEU  25  -4.101   8.581  -7.056
  182   2HD2  LEU  25          2HD2      LEU  25  -5.160   9.633  -6.117
  183   3HD2  LEU  25          3HD2      LEU  25  -4.761   8.022  -5.519
  184    H    CYS  26           H        CYS  26  -2.136   6.670  -1.986
  185    HA   CYS  26           HA       CYS  26   0.695   6.559  -2.209
  186   1HB   CYS  26          2HB       CYS  26  -1.165   5.156  -0.270
  187   2HB   CYS  26          1HB       CYS  26   0.525   5.571   0.022
  188    H    ALA  27           H        ALA  27  -1.730   4.026  -2.742
  189    HA   ALA  27           HA       ALA  27   0.427   2.008  -2.985
  190   1HB   ALA  27          1HB       ALA  27  -2.151   1.979  -1.982
  191   2HB   ALA  27          2HB       ALA  27  -1.213   0.540  -2.385
  192   3HB   ALA  27          3HB       ALA  27  -2.342   1.214  -3.560
  193    H    THR  28           H        THR  28  -1.302   4.135  -4.861
  194    HA   THR  28           HA       THR  28  -1.305   2.575  -7.348
  195    HB   THR  28           HB       THR  28  -2.240   5.184  -6.285
  196    HG1  THR  28           1HG      THR  28  -3.322   3.678  -8.397
  197   1HG2  THR  28          1HG2      THR  28  -1.059   6.251  -7.985
  198   2HG2  THR  28          2HG2      THR  28  -2.593   5.899  -8.781
  199   3HG2  THR  28          3HG2      THR  28  -1.190   4.873  -9.077
  200    H    TYR  29           H        TYR  29   0.702   4.862  -5.641
  201    HA   TYR  29           HA       TYR  29   2.460   5.368  -7.959
  202   1HB   TYR  29          2HB       TYR  29   1.671   6.885  -5.905
  203   2HB   TYR  29          1HB       TYR  29   3.076   6.149  -5.134
  204    HD1  TYR  29           1HD      TYR  29   4.656   7.906  -5.072
  205    HD2  TYR  29           2HD      TYR  29   2.597   7.003  -8.725
  206    HE1  TYR  29           1HE      TYR  29   6.147   9.468  -6.295
  207    HE2  TYR  29           2HE      TYR  29   4.085   8.562  -9.955
  208    HH   TYR  29           HH       TYR  29   6.199  10.745  -8.321
  209    H    THR  30           H        THR  30   2.591   3.751  -4.794
  210    HA   THR  30           HA       THR  30   5.306   2.746  -5.293
  211    HB   THR  30           HB       THR  30   4.183   3.519  -3.082
  212    HG1  THR  30           1HG      THR  30   5.690   1.150  -3.407
  213   1HG2  THR  30          1HG2      THR  30   2.269   1.819  -3.554
  214   2HG2  THR  30          2HG2      THR  30   2.874   1.985  -1.906
  215   3HG2  THR  30          3HG2      THR  30   3.397   0.629  -2.905
  216    H    GLY  31           H        GLY  31   2.112   1.686  -5.994
  217   1HA   GLY  31          2HA       GLY  31   1.897  -0.265  -7.500
  218   2HA   GLY  31          1HA       GLY  31   3.208  -1.031  -6.601
  219    H    CYS  32           H        CYS  32   2.319  -0.497  -3.963
  220    HA   CYS  32           HA       CYS  32   0.765  -2.656  -3.256
  221   1HB   CYS  32          2HB       CYS  32   0.718   0.159  -2.119
  222   2HB   CYS  32          1HB       CYS  32   0.133  -1.270  -1.269
  223    H    ILE  33           H        ILE  33  -1.537  -2.977  -2.867
  224    HA   ILE  33           HA       ILE  33  -3.361  -0.991  -4.148
  225    HB   ILE  33           HB       ILE  33  -4.422  -3.038  -5.287
  226   1HG1  ILE  33          2HG1      ILE  33  -1.828  -4.417  -5.258
  227   2HG1  ILE  33          1HG1      ILE  33  -2.621  -4.401  -3.683
  228   1HG2  ILE  33          1HG2      ILE  33  -3.309  -1.648  -6.781
  229   2HG2  ILE  33          2HG2      ILE  33  -2.358  -3.124  -6.947
  230   3HG2  ILE  33          3HG2      ILE  33  -1.767  -1.805  -5.938
  231   1HD1  ILE  33          1HD1      ILE  33  -3.899  -5.304  -6.281
  232   2HD1  ILE  33          2HD1      ILE  33  -4.678  -5.301  -4.698
  233   3HD1  ILE  33          3HD1      ILE  33  -3.310  -6.371  -5.006
  234    H    ILE  34           H        ILE  34  -5.479  -1.041  -3.300
  235    HA   ILE  34           HA       ILE  34  -5.795  -2.599  -0.775
  236    HB   ILE  34           HB       ILE  34  -7.274  -0.218  -1.947
  237   1HG1  ILE  34          2HG1      ILE  34  -5.803   0.333   0.456
  238   2HG1  ILE  34          1HG1      ILE  34  -4.717  -0.434  -0.703
  239   1HG2  ILE  34          1HG2      ILE  34  -8.561  -0.147  -0.032
  240   2HG2  ILE  34          2HG2      ILE  34  -7.329  -0.935   0.953
  241   3HG2  ILE  34          3HG2      ILE  34  -8.324  -1.891  -0.146
  242   1HD1  ILE  34          1HD1      ILE  34  -6.453   1.999  -1.218
  243   2HD1  ILE  34          2HD1      ILE  34  -5.448   1.202  -2.429
  244   3HD1  ILE  34          3HD1      ILE  34  -4.698   1.989  -1.040
  245    H    ILE  35           H        ILE  35  -7.460  -4.112  -0.578
  246    HA   ILE  35           HA       ILE  35  -9.352  -4.378  -2.890
  247    HB   ILE  35           HB       ILE  35  -9.020  -6.949  -2.065
  248   1HG1  ILE  35          2HG1      ILE  35  -6.568  -7.303  -1.736
  249   2HG1  ILE  35          1HG1      ILE  35  -6.356  -5.556  -1.623
  250   1HG2  ILE  35          1HG2      ILE  35  -8.048  -5.253  -4.214
  251   2HG2  ILE  35          2HG2      ILE  35  -8.602  -6.925  -4.275
  252   3HG2  ILE  35          3HG2      ILE  35  -6.921  -6.567  -3.877
  253   1HD1  ILE  35          1HD1      ILE  35  -7.798  -7.400   0.278
  254   2HD1  ILE  35          2HD1      ILE  35  -8.147  -5.672   0.249
  255   3HD1  ILE  35          3HD1      ILE  35  -6.521  -6.236   0.629
  256    HA   PRO  36           HA       PRO  36 -12.528  -4.862   0.084
  257   1HB   PRO  36          2HB       PRO  36 -14.093  -6.830  -0.984
  258   2HB   PRO  36          1HB       PRO  36 -13.988  -5.200  -1.676
  259   1HG   PRO  36          2HG       PRO  36 -12.717  -7.721  -2.581
  260   2HG   PRO  36          1HG       PRO  36 -13.328  -6.358  -3.529
  261   1HD   PRO  36          2HD       PRO  36 -10.664  -6.825  -2.969
  262   2HD   PRO  36          1HD       PRO  36 -11.348  -5.251  -3.431
  263    H    GLY  37           H        GLY  37 -10.158  -7.140  -0.118
  264   1HA   GLY  37          2HA       GLY  37 -11.482  -9.080   1.701
  265   2HA   GLY  37          1HA       GLY  37  -9.949  -9.344   0.870
  266    H    ALA  38           H        ALA  38  -8.684  -9.738   2.675
  267    HA   ALA  38           HA       ALA  38  -7.805  -7.407   4.202
  268   1HB   ALA  38          1HB       ALA  38 -10.074  -8.357   5.114
  269   2HB   ALA  38          2HB       ALA  38  -8.799  -7.912   6.251
  270   3HB   ALA  38          3HB       ALA  38  -9.046  -9.605   5.820
  271    H    THR  39           H        THR  39  -6.928 -10.082   2.709
  272    HA   THR  39           HA       THR  39  -4.778 -10.701   4.678
  273    HB   THR  39           HB       THR  39  -6.843 -12.340   4.172
  274    HG1  THR  39           1HG      THR  39  -5.502 -13.105   5.619
  275   1HG2  THR  39          1HG2      THR  39  -6.249 -14.023   2.529
  276   2HG2  THR  39          2HG2      THR  39  -4.732 -13.195   2.181
  277   3HG2  THR  39          3HG2      THR  39  -6.266 -12.443   1.744
  278    H    CYS  40           H        CYS  40  -5.375  -9.347   1.838
  279    HA   CYS  40           HA       CYS  40  -4.089  -8.902  -0.098
  280   1HB   CYS  40          2HB       CYS  40  -2.080  -9.719   2.013
  281   2HB   CYS  40          1HB       CYS  40  -1.595  -9.087   0.441
  282    HA   PRO  41           HA       PRO  41  -3.372 -12.662  -2.250
  283   1HB   PRO  41          2HB       PRO  41  -1.465 -11.937  -4.072
  284   2HB   PRO  41          1HB       PRO  41  -3.152 -11.395  -4.176
  285   1HG   PRO  41          2HG       PRO  41  -0.753  -9.940  -3.193
  286   2HG   PRO  41          1HG       PRO  41  -2.137  -9.340  -4.118
  287   1HD   PRO  41          2HD       PRO  41  -1.816  -8.970  -1.421
  288   2HD   PRO  41          1HD       PRO  41  -3.391  -8.977  -2.245
  289    H    GLY  42           H        GLY  42  -0.933 -13.587  -3.397
  290   1HA   GLY  42          2HA       GLY  42   0.569 -14.256  -0.919
  291   2HA   GLY  42          1HA       GLY  42   0.612 -15.182  -2.418
  292    H    ASP  43           H        ASP  43   0.832 -12.421  -3.826
  293    HA   ASP  43           HA       ASP  43   3.799 -12.330  -3.668
  294   1HB   ASP  43          2HB       ASP  43   3.452 -10.949  -5.769
  295   2HB   ASP  43          1HB       ASP  43   2.821 -12.593  -5.861
  296    H    TYR  44           H        TYR  44   0.987 -10.488  -2.787
  297    HA   TYR  44           HA       TYR  44   2.761  -8.193  -2.011
  298   1HB   TYR  44          2HB       TYR  44  -0.203  -8.015  -2.569
  299   2HB   TYR  44          1HB       TYR  44   1.000  -6.729  -2.624
  300    HD1  TYR  44           1HD      TYR  44  -1.083  -7.926  -4.780
  301    HD2  TYR  44           2HD      TYR  44   3.161  -8.173  -4.161
  302    HE1  TYR  44           1HE      TYR  44  -0.753  -8.345  -7.202
  303    HE2  TYR  44           2HE      TYR  44   3.490  -8.591  -6.582
  304    HH   TYR  44           HH       TYR  44   1.318  -7.939  -8.875
  305    H    ALA  45           H        ALA  45   1.892 -10.697  -0.526
  306    HA   ALA  45           HA       ALA  45   0.018  -9.720   1.525
  307   1HB   ALA  45          1HB       ALA  45   1.041 -12.196   0.504
  308   2HB   ALA  45          2HB       ALA  45  -0.296 -11.952   1.630
  309   3HB   ALA  45          3HB       ALA  45   1.348 -12.144   2.240
  310    H    ASN  46           H        ASN  46   2.666  -8.335   1.190
  311    HA   ASN  46           HA       ASN  46   3.923  -8.987   3.824
  312   1HB   ASN  46          2HB       ASN  46   5.007  -8.817   1.326
  313   2HB   ASN  46          1HB       ASN  46   5.247  -7.165   1.897
  314   1HD2  ASN  46          1HD2      ASN  46   5.350  -8.256   4.774
  315   2HD2  ASN  46          2HD2      ASN  46   6.917  -8.891   4.917
  Start of MODEL   10
    1   1H    THR   1          1HT       THR   1  -9.232  -3.431   4.607
    2   2H    THR   1          2HT       THR   1  -9.133  -3.990   3.005
    3   3H    THR   1          3HT       THR   1  -8.467  -2.485   3.426
    4    HA   THR   1           HA       THR   1  -7.067  -3.945   5.091
    5    HB   THR   1           HB       THR   1  -8.049  -5.756   2.869
    6    HG1  THR   1           1HG      THR   1  -7.898  -6.425   5.571
    7   1HG2  THR   1          1HG2      THR   1  -6.395  -7.364   3.511
    8   2HG2  THR   1          2HG2      THR   1  -5.889  -6.387   4.889
    9   3HG2  THR   1          3HG2      THR   1  -5.537  -5.846   3.249
   10    H    THR   2           H        THR   2  -4.853  -3.799   4.524
   11    HA   THR   2           HA       THR   2  -4.314  -2.611   1.826
   12    HB   THR   2           HB       THR   2  -2.867  -2.393   4.487
   13    HG1  THR   2           1HG      THR   2  -4.046  -0.241   3.182
   14   1HG2  THR   2          1HG2      THR   2  -1.352  -0.920   3.463
   15   2HG2  THR   2          2HG2      THR   2  -2.397  -0.671   2.064
   16   3HG2  THR   2          3HG2      THR   2  -1.536  -2.198   2.262
   17    H    CYS   3           H        CYS   3  -2.480  -3.394   0.657
   18    HA   CYS   3           HA       CYS   3  -0.889  -5.624   1.783
   19   1HB   CYS   3          2HB       CYS   3  -3.176  -5.876  -0.068
   20   2HB   CYS   3          1HB       CYS   3  -1.725  -6.731  -0.592
   21    H    CYS   4           H        CYS   4   1.104  -4.661   1.275
   22    HA   CYS   4           HA       CYS   4   1.471  -3.503  -1.444
   23   1HB   CYS   4          2HB       CYS   4   3.313  -3.533   0.963
   24   2HB   CYS   4          1HB       CYS   4   3.439  -2.487  -0.450
   25    HA   PRO   5           HA       PRO   5   3.672  -7.027  -2.864
   26   1HB   PRO   5          2HB       PRO   5   5.375  -5.843  -4.649
   27   2HB   PRO   5          1HB       PRO   5   3.641  -6.064  -4.959
   28   1HG   PRO   5          2HG       PRO   5   5.099  -3.637  -4.016
   29   2HG   PRO   5          1HG       PRO   5   3.792  -3.775  -5.205
   30   1HD   PRO   5          2HD       PRO   5   3.356  -2.951  -2.670
   31   2HD   PRO   5          1HD       PRO   5   2.153  -3.880  -3.594
   32    H    SER   6           H        SER   6   5.135  -4.656  -0.938
   33    HA   SER   6           HA       SER   6   7.273  -6.438  -0.144
   34   1HB   SER   6          2HB       SER   6   8.884  -4.413  -1.099
   35   2HB   SER   6          1HB       SER   6   8.616  -5.954  -1.910
   36    HG   SER   6           HG       SER   6   7.129  -3.554  -2.257
   37    H    ILE   7           H        ILE   7   8.940  -5.130   1.231
   38    HA   ILE   7           HA       ILE   7   7.529  -3.669   3.268
   39    HB   ILE   7           HB       ILE   7  10.504  -3.733   2.690
   40   1HG1  ILE   7          2HG1      ILE   7   9.786  -5.779   4.504
   41   2HG1  ILE   7          1HG1      ILE   7   8.680  -5.924   3.139
   42   1HG2  ILE   7          1HG2      ILE   7  10.732  -3.537   5.083
   43   2HG2  ILE   7          2HG2      ILE   7   8.998  -3.755   5.318
   44   3HG2  ILE   7          3HG2      ILE   7   9.606  -2.285   4.558
   45   1HD1  ILE   7          1HD1      ILE   7  10.482  -6.121   1.579
   46   2HD1  ILE   7          2HD1      ILE   7  10.884  -7.195   2.919
   47   3HD1  ILE   7          3HD1      ILE   7  11.669  -5.622   2.786
   48    H    VAL   8           H        VAL   8   9.527  -2.710   0.508
   49    HA   VAL   8           HA       VAL   8   9.743   0.084   1.193
   50    HB   VAL   8           HB       VAL   8   9.741  -1.104  -1.588
   51   1HG1  VAL   8          1HG1      VAL   8  10.351   1.424  -0.507
   52   2HG1  VAL   8          2HG1      VAL   8  10.698   0.860  -2.142
   53   3HG1  VAL   8          3HG1      VAL   8  11.907   0.680  -0.871
   54   1HG2  VAL   8          1HG2      VAL   8  11.164  -2.660  -0.650
   55   2HG2  VAL   8          2HG2      VAL   8  11.582  -1.613   0.707
   56   3HG2  VAL   8          3HG2      VAL   8  12.320  -1.348  -0.873
   57    H    ALA   9           H        ALA   9   7.544  -1.693  -1.015
   58    HA   ALA   9           HA       ALA   9   5.993   0.517  -1.899
   59   1HB   ALA   9          1HB       ALA   9   4.344  -1.227  -2.435
   60   2HB   ALA   9          2HB       ALA   9   5.133  -2.338  -1.316
   61   3HB   ALA   9          3HB       ALA   9   5.967  -1.824  -2.782
   62    H    ARG  10           H        ARG  10   5.832  -1.416   1.054
   63    HA   ARG  10           HA       ARG  10   3.337  -0.233   1.986
   64   1HB   ARG  10          2HB       ARG  10   3.526  -2.176   3.127
   65   2HB   ARG  10          1HB       ARG  10   5.190  -2.360   2.601
   66   1HG   ARG  10          2HG       ARG  10   5.775  -0.694   4.492
   67   2HG   ARG  10          1HG       ARG  10   4.152  -1.028   5.104
   68   1HD   ARG  10          2HD       ARG  10   6.019  -3.296   4.403
   69   2HD   ARG  10          1HD       ARG  10   6.097  -2.508   5.990
   70    HE   ARG  10           HE       ARG  10   3.502  -3.556   4.933
   71   1HH1  ARG  10          1HH2      ARG  10   5.739  -5.120   6.585
   72   2HH1  ARG  10          2HH2      ARG  10   4.940  -5.170   8.120
   73   1HH2  ARG  10          1HH1      ARG  10   2.544  -2.822   7.245
   74   2HH2  ARG  10          2HH1      ARG  10   3.132  -3.868   8.494
   75    H    SER  11           H        SER  11   6.801   0.184   2.699
   76    HA   SER  11           HA       SER  11   6.597   2.108   4.778
   77   1HB   SER  11          2HB       SER  11   8.899   2.442   4.328
   78   2HB   SER  11          1HB       SER  11   8.600   0.804   3.756
   79    HG   SER  11           HG       SER  11   8.854   3.201   2.280
   80    H    ASN  12           H        ASN  12   6.928   2.629   1.245
   81    HA   ASN  12           HA       ASN  12   6.688   5.498   1.367
   82   1HB   ASN  12          2HB       ASN  12   5.841   3.753  -0.949
   83   2HB   ASN  12          1HB       ASN  12   6.628   5.330  -0.999
   84   1HD2  ASN  12          1HD2      ASN  12   7.411   2.456  -1.983
   85   2HD2  ASN  12          2HD2      ASN  12   9.007   2.291  -1.437
   86    H    PHE  13           H        PHE  13   4.337   2.974   0.413
   87    HA   PHE  13           HA       PHE  13   2.040   4.410  -0.057
   88   1HB   PHE  13          2HB       PHE  13   1.985   2.049  -0.200
   89   2HB   PHE  13          1HB       PHE  13   2.599   1.851   1.441
   90    HD1  PHE  13           1HD      PHE  13   1.083   1.296   3.115
   91    HD2  PHE  13           2HD      PHE  13  -0.303   3.421  -0.347
   92    HE1  PHE  13           1HE      PHE  13  -1.242   1.177   3.973
   93    HE2  PHE  13           2HE      PHE  13  -2.627   3.302   0.507
   94    HZ   PHE  13           HZ       PHE  13  -3.097   2.181   2.671
   95    H    ASN  14           H        ASN  14   3.291   3.523   3.165
   96    HA   ASN  14           HA       ASN  14   1.204   4.976   4.599
   97   1HB   ASN  14          2HB       ASN  14   3.751   3.500   5.204
   98   2HB   ASN  14          1HB       ASN  14   3.039   4.514   6.461
   99   1HD2  ASN  14          1HD2      ASN  14   2.790   1.459   4.845
  100   2HD2  ASN  14          2HD2      ASN  14   1.358   0.939   5.593
  101    H    VAL  15           H        VAL  15   4.412   5.630   3.378
  102    HA   VAL  15           HA       VAL  15   4.869   8.069   4.887
  103    HB   VAL  15           HB       VAL  15   6.176   6.303   3.019
  104   1HG1  VAL  15          1HG1      VAL  15   7.474   7.922   1.715
  105   2HG1  VAL  15          2HG1      VAL  15   6.540   9.250   2.404
  106   3HG1  VAL  15          3HG1      VAL  15   5.757   8.080   1.341
  107   1HG2  VAL  15          1HG2      VAL  15   8.188   7.299   4.029
  108   2HG2  VAL  15          2HG2      VAL  15   6.978   6.934   5.259
  109   3HG2  VAL  15          3HG2      VAL  15   7.205   8.594   4.710
  110    H    CYS  16           H        CYS  16   3.239   7.227   1.908
  111    HA   CYS  16           HA       CYS  16   3.126   9.978   0.894
  112   1HB   CYS  16          2HB       CYS  16   3.147   8.397  -0.802
  113   2HB   CYS  16          1HB       CYS  16   2.229   7.226   0.138
  114    H    ARG  17           H        ARG  17   1.169   7.891   2.913
  115    HA   ARG  17           HA       ARG  17  -1.247   9.554   2.696
  116   1HB   ARG  17          2HB       ARG  17  -1.480   7.168   2.986
  117   2HB   ARG  17          1HB       ARG  17  -0.375   7.173   4.361
  118   1HG   ARG  17          2HG       ARG  17  -2.743   7.036   5.088
  119   2HG   ARG  17          1HG       ARG  17  -1.965   8.511   5.664
  120   1HD   ARG  17          2HD       ARG  17  -2.936   9.736   3.700
  121   2HD   ARG  17          1HD       ARG  17  -3.821   8.258   3.272
  122    HE   ARG  17           HE       ARG  17  -4.112   9.459   5.996
  123   1HH1  ARG  17          1HH1      ARG  17  -5.685  10.147   3.280
  124   2HH1  ARG  17          2HH1      ARG  17  -7.194   9.391   3.670
  125   1HH2  ARG  17          1HH2      ARG  17  -5.928   7.673   6.403
  126   2HH2  ARG  17          2HH2      ARG  17  -7.333   7.992   5.440
  127    H    LEU  18           H        LEU  18   1.694   9.870   4.227
  128    HA   LEU  18           HA       LEU  18   0.944  10.760   6.857
  129   1HB   LEU  18          2HB       LEU  18   3.237  10.307   5.213
  130   2HB   LEU  18          1HB       LEU  18   3.362  11.929   5.885
  131    HG   LEU  18           HG       LEU  18   2.968   9.344   7.406
  132   1HD1  LEU  18          1HD1      LEU  18   5.166   9.511   7.984
  133   2HD1  LEU  18          2HD1      LEU  18   5.092  11.267   8.129
  134   3HD1  LEU  18          3HD1      LEU  18   5.283  10.521   6.543
  135   1HD2  LEU  18          1HD2      LEU  18   1.669  10.774   8.690
  136   2HD2  LEU  18          2HD2      LEU  18   2.554  12.210   8.171
  137   3HD2  LEU  18          3HD2      LEU  18   3.261  11.122   9.366
  138    HA   PRO  19           HA       PRO  19   1.359  15.109   4.870
  139   1HB   PRO  19          2HB       PRO  19   1.199  15.265   2.140
  140   2HB   PRO  19          1HB       PRO  19   2.733  15.122   3.020
  141   1HG   PRO  19          2HG       PRO  19   1.159  13.027   1.611
  142   2HG   PRO  19          1HG       PRO  19   2.912  13.258   1.692
  143   1HD   PRO  19          2HD       PRO  19   1.589  11.409   3.165
  144   2HD   PRO  19          1HD       PRO  19   3.095  12.178   3.706
  145    H    GLY  20           H        GLY  20  -0.418  13.878   2.072
  146   1HA   GLY  20          2HA       GLY  20  -2.996  14.098   3.427
  147   2HA   GLY  20          1HA       GLY  20  -2.680  15.415   2.296
  148    H    THR  21           H        THR  21  -1.512  12.121   1.801
  149    HA   THR  21           HA       THR  21  -3.117  12.030  -0.676
  150    HB   THR  21           HB       THR  21  -0.992  10.097   0.198
  151    HG1  THR  21           1HG      THR  21   0.538  11.480  -0.588
  152   1HG2  THR  21          1HG2      THR  21  -0.644  10.262  -2.392
  153   2HG2  THR  21          2HG2      THR  21  -2.247  10.991  -2.384
  154   3HG2  THR  21          3HG2      THR  21  -2.021   9.355  -1.766
  155    HA   PRO  22           HA       PRO  22  -5.667   8.960   1.213
  156   1HB   PRO  22          2HB       PRO  22  -6.908   8.162  -1.094
  157   2HB   PRO  22          1HB       PRO  22  -7.318   9.666  -0.250
  158   1HG   PRO  22          2HG       PRO  22  -5.632   9.255  -2.668
  159   2HG   PRO  22          1HG       PRO  22  -6.765  10.564  -2.293
  160   1HD   PRO  22          2HD       PRO  22  -4.041  10.799  -2.035
  161   2HD   PRO  22          1HD       PRO  22  -5.201  11.741  -1.089
  162    H    GLU  23           H        GLU  23  -4.896   6.990   1.710
  163    HA   GLU  23           HA       GLU  23  -2.754   5.568   0.924
  164   1HB   GLU  23          2HB       GLU  23  -5.549   4.693   1.622
  165   2HB   GLU  23          1HB       GLU  23  -4.296   3.487   1.327
  166   1HG   GLU  23          2HG       GLU  23  -2.859   4.694   3.015
  167   2HG   GLU  23          1HG       GLU  23  -4.260   5.691   3.405
  168    H    ALA  24           H        ALA  24  -5.712   5.802  -0.988
  169    HA   ALA  24           HA       ALA  24  -5.306   3.737  -2.875
  170   1HB   ALA  24          1HB       ALA  24  -6.976   5.978  -2.449
  171   2HB   ALA  24          2HB       ALA  24  -7.196   4.709  -3.653
  172   3HB   ALA  24          3HB       ALA  24  -6.314   6.178  -4.070
  173    H    LEU  25           H        LEU  25  -4.254   7.174  -3.097
  174    HA   LEU  25           HA       LEU  25  -2.728   6.761  -5.520
  175   1HB   LEU  25          2HB       LEU  25  -3.718   8.868  -4.074
  176   2HB   LEU  25          1HB       LEU  25  -1.996   8.969  -3.703
  177    HG   LEU  25           HG       LEU  25  -2.587   8.447  -6.538
  178   1HD1  LEU  25          1HD1      LEU  25  -4.382   9.938  -6.394
  179   2HD1  LEU  25          2HD1      LEU  25  -3.040  11.019  -6.771
  180   3HD1  LEU  25          3HD1      LEU  25  -3.622  10.881  -5.112
  181   1HD2  LEU  25          1HD2      LEU  25  -0.556   9.605  -4.873
  182   2HD2  LEU  25          2HD2      LEU  25  -1.059  10.808  -6.062
  183   3HD2  LEU  25          3HD2      LEU  25  -0.475   9.231  -6.596
  184    H    CYS  26           H        CYS  26  -2.001   6.449  -2.093
  185    HA   CYS  26           HA       CYS  26   0.881   6.557  -2.339
  186   1HB   CYS  26          2HB       CYS  26  -0.911   5.273  -0.252
  187   2HB   CYS  26          1HB       CYS  26   0.777   5.723  -0.033
  188    H    ALA  27           H        ALA  27  -1.505   4.033  -2.819
  189    HA   ALA  27           HA       ALA  27   0.636   1.980  -2.936
  190   1HB   ALA  27          1HB       ALA  27  -0.997   0.593  -2.181
  191   2HB   ALA  27          2HB       ALA  27  -2.093   1.110  -3.462
  192   3HB   ALA  27          3HB       ALA  27  -1.984   2.038  -1.966
  193    H    THR  28           H        THR  28  -1.297   3.952  -4.846
  194    HA   THR  28           HA       THR  28  -1.219   2.331  -7.285
  195    HB   THR  28           HB       THR  28  -2.232   4.984  -6.344
  196    HG1  THR  28           1HG      THR  28  -3.574   3.407  -8.171
  197   1HG2  THR  28          1HG2      THR  28  -1.746   4.310  -9.255
  198   2HG2  THR  28          2HG2      THR  28  -1.050   5.657  -8.355
  199   3HG2  THR  28          3HG2      THR  28  -2.781   5.624  -8.695
  200    H    TYR  29           H        TYR  29   0.653   4.882  -5.754
  201    HA   TYR  29           HA       TYR  29   2.328   5.272  -8.170
  202   1HB   TYR  29          2HB       TYR  29   1.627   7.214  -6.862
  203   2HB   TYR  29          1HB       TYR  29   2.296   6.499  -5.394
  204    HD1  TYR  29           1HD      TYR  29   3.612   6.745  -8.891
  205    HD2  TYR  29           2HD      TYR  29   4.184   7.725  -4.750
  206    HE1  TYR  29           1HE      TYR  29   5.834   7.705  -9.428
  207    HE2  TYR  29           2HE      TYR  29   6.407   8.686  -5.285
  208    HH   TYR  29           HH       TYR  29   7.465   9.148  -8.578
  209    H    THR  30           H        THR  30   2.533   3.953  -4.869
  210    HA   THR  30           HA       THR  30   5.366   3.228  -5.243
  211    HB   THR  30           HB       THR  30   4.055   4.075  -3.121
  212    HG1  THR  30           1HG      THR  30   6.105   2.223  -3.403
  213   1HG2  THR  30          1HG2      THR  30   2.473   2.044  -3.386
  214   2HG2  THR  30          2HG2      THR  30   3.063   2.435  -1.770
  215   3HG2  THR  30          3HG2      THR  30   3.794   1.113  -2.680
  216    H    GLY  31           H        GLY  31   2.350   1.866  -5.992
  217   1HA   GLY  31          2HA       GLY  31   2.277  -0.208  -7.284
  218   2HA   GLY  31          1HA       GLY  31   3.652  -0.792  -6.350
  219    H    CYS  32           H        CYS  32   2.697  -0.124  -3.745
  220    HA   CYS  32           HA       CYS  32   1.359  -2.379  -2.894
  221   1HB   CYS  32          2HB       CYS  32   2.307  -0.568  -1.476
  222   2HB   CYS  32          1HB       CYS  32   0.929   0.451  -1.890
  223    H    ILE  33           H        ILE  33  -0.928  -2.786  -2.332
  224    HA   ILE  33           HA       ILE  33  -2.897  -1.140  -3.854
  225    HB   ILE  33           HB       ILE  33  -3.816  -3.284  -4.782
  226   1HG1  ILE  33          2HG1      ILE  33  -1.783  -5.077  -4.714
  227   2HG1  ILE  33          1HG1      ILE  33  -1.580  -4.333  -3.129
  228   1HG2  ILE  33          1HG2      ILE  33  -2.160  -1.785  -5.997
  229   2HG2  ILE  33          2HG2      ILE  33  -2.184  -3.463  -6.537
  230   3HG2  ILE  33          3HG2      ILE  33  -0.894  -2.898  -5.478
  231   1HD1  ILE  33          1HD1      ILE  33  -3.262  -6.383  -3.524
  232   2HD1  ILE  33          2HD1      ILE  33  -4.353  -5.064  -3.942
  233   3HD1  ILE  33          3HD1      ILE  33  -3.601  -5.113  -2.348
  234    H    ILE  34           H        ILE  34  -4.944  -1.136  -2.935
  235    HA   ILE  34           HA       ILE  34  -5.209  -2.461  -0.277
  236    HB   ILE  34           HB       ILE  34  -6.644  -0.165  -1.649
  237   1HG1  ILE  34          2HG1      ILE  34  -5.288   0.513   0.781
  238   2HG1  ILE  34          1HG1      ILE  34  -4.161  -0.350  -0.260
  239   1HG2  ILE  34          1HG2      ILE  34  -6.853  -0.862   1.274
  240   2HG2  ILE  34          2HG2      ILE  34  -7.924  -1.622   0.095
  241   3HG2  ILE  34          3HG2      ILE  34  -7.931   0.131   0.292
  242   1HD1  ILE  34          1HD1      ILE  34  -4.783   2.336  -0.465
  243   2HD1  ILE  34          2HD1      ILE  34  -5.797   1.605  -1.709
  244   3HD1  ILE  34          3HD1      ILE  34  -4.050   1.360  -1.738
  245    H    ILE  35           H        ILE  35  -6.944  -3.897   0.087
  246    HA   ILE  35           HA       ILE  35  -8.951  -4.245  -2.083
  247    HB   ILE  35           HB       ILE  35  -8.427  -6.778  -1.857
  248   1HG1  ILE  35          2HG1      ILE  35  -5.910  -7.067  -1.350
  249   2HG1  ILE  35          1HG1      ILE  35  -6.016  -5.508  -0.540
  250   1HG2  ILE  35          1HG2      ILE  35  -6.172  -5.205  -3.077
  251   2HG2  ILE  35          2HG2      ILE  35  -7.801  -5.078  -3.739
  252   3HG2  ILE  35          3HG2      ILE  35  -6.985  -6.641  -3.699
  253   1HD1  ILE  35          1HD1      ILE  35  -6.978  -6.447   1.265
  254   2HD1  ILE  35          2HD1      ILE  35  -6.677  -8.024   0.536
  255   3HD1  ILE  35          3HD1      ILE  35  -8.216  -7.206   0.265
  256    HA   PRO  36           HA       PRO  36 -11.426  -4.800   1.541
  257   1HB   PRO  36          2HB       PRO  36 -13.769  -5.377   0.259
  258   2HB   PRO  36          1HB       PRO  36 -13.103  -3.736   0.348
  259   1HG   PRO  36          2HG       PRO  36 -13.082  -5.665  -1.902
  260   2HG   PRO  36          1HG       PRO  36 -13.194  -3.900  -1.925
  261   1HD   PRO  36          2HD       PRO  36 -10.904  -5.355  -2.466
  262   2HD   PRO  36          1HD       PRO  36 -10.939  -3.645  -1.985
  263    H    GLY  37           H        GLY  37  -9.880  -6.944   1.451
  264   1HA   GLY  37          2HA       GLY  37 -11.548  -9.153   2.142
  265   2HA   GLY  37          1HA       GLY  37 -10.899  -9.408   0.523
  266    H    ALA  38           H        ALA  38 -10.356 -10.559   3.322
  267    HA   ALA  38           HA       ALA  38  -7.514  -9.958   3.773
  268   1HB   ALA  38          1HB       ALA  38  -9.766 -11.296   5.070
  269   2HB   ALA  38          2HB       ALA  38  -8.358 -10.523   5.797
  270   3HB   ALA  38          3HB       ALA  38  -8.260 -12.197   5.251
  271    H    THR  39           H        THR  39  -8.781 -11.489   1.296
  272    HA   THR  39           HA       THR  39  -7.399 -14.075   1.430
  273    HB   THR  39           HB       THR  39  -9.633 -13.179   0.245
  274    HG1  THR  39           1HG      THR  39  -8.250 -15.083  -1.225
  275   1HG2  THR  39          1HG2      THR  39  -7.659 -13.240  -2.035
  276   2HG2  THR  39          2HG2      THR  39  -8.190 -11.738  -1.279
  277   3HG2  THR  39          3HG2      THR  39  -9.361 -12.781  -2.087
  278    H    CYS  40           H        CYS  40  -6.151 -11.199   1.240
  279    HA   CYS  40           HA       CYS  40  -4.678 -10.596  -0.963
  280   1HB   CYS  40          2HB       CYS  40  -4.190 -10.642   1.952
  281   2HB   CYS  40          1HB       CYS  40  -2.734 -10.506   0.966
  282    HA   PRO  41           HA       PRO  41  -2.498 -14.261  -2.117
  283   1HB   PRO  41          2HB       PRO  41  -0.691 -13.110  -3.817
  284   2HB   PRO  41          1HB       PRO  41  -2.399 -13.346  -4.239
  285   1HG   PRO  41          2HG       PRO  41  -1.005 -10.886  -3.302
  286   2HG   PRO  41          1HG       PRO  41  -2.262 -11.069  -4.535
  287   1HD   PRO  41          2HD       PRO  41  -2.762 -10.174  -2.014
  288   2HD   PRO  41          1HD       PRO  41  -3.959 -11.047  -2.996
  289    H    GLY  42           H        GLY  42   0.119 -14.636  -2.555
  290   1HA   GLY  42          2HA       GLY  42   1.344 -13.993   0.062
  291   2HA   GLY  42          1HA       GLY  42   1.939 -15.193  -1.086
  292    H    ASP  43           H        ASP  43   1.212 -12.546  -2.910
  293    HA   ASP  43           HA       ASP  43   4.047 -11.592  -2.794
  294   1HB   ASP  43          2HB       ASP  43   2.191 -12.368  -4.863
  295   2HB   ASP  43          1HB       ASP  43   2.686 -10.694  -5.118
  296    H    TYR  44           H        TYR  44   0.873 -10.710  -1.992
  297    HA   TYR  44           HA       TYR  44   1.589  -7.795  -2.066
  298   1HB   TYR  44          2HB       TYR  44  -1.081  -9.227  -2.251
  299   2HB   TYR  44          1HB       TYR  44  -0.889  -7.475  -2.218
  300    HD1  TYR  44           1HD      TYR  44  -2.149  -9.162  -4.464
  301    HD2  TYR  44           2HD      TYR  44   1.825  -7.650  -3.861
  302    HE1  TYR  44           1HE      TYR  44  -1.777  -9.153  -6.915
  303    HE2  TYR  44           2HE      TYR  44   2.197  -7.643  -6.308
  304    HH   TYR  44           HH       TYR  44  -0.416  -8.297  -8.562
  305    H    ALA  45           H        ALA  45   1.455 -10.332  -0.006
  306    HA   ALA  45           HA       ALA  45  -0.056  -9.069   2.189
  307   1HB   ALA  45          1HB       ALA  45   1.750 -11.432   2.520
  308   2HB   ALA  45          2HB       ALA  45   0.345 -11.607   1.470
  309   3HB   ALA  45          3HB       ALA  45   0.131 -11.167   3.164
  310    H    ASN  46           H        ASN  46   2.386  -7.695   1.096
  311    HA   ASN  46           HA       ASN  46   4.108  -7.773   3.552
  312   1HB   ASN  46          2HB       ASN  46   4.747  -8.230   0.915
  313   2HB   ASN  46          1HB       ASN  46   5.137  -6.517   1.088
  314   1HD2  ASN  46          1HD2      ASN  46   6.291  -9.684   1.703
  315   2HD2  ASN  46          2HD2      ASN  46   7.580  -9.265   2.725
  Start of MODEL   11
    1   1H    THR   1          1HT       THR   1  -8.386  -1.269   2.770
    2   2H    THR   1          2HT       THR   1  -8.886  -1.650   4.348
    3   3H    THR   1          3HT       THR   1  -9.231  -2.710   3.066
    4    HA   THR   1           HA       THR   1  -6.807  -2.430   4.624
    5    HB   THR   1           HB       THR   1  -8.227  -4.492   2.919
    6    HG1  THR   1           1HG      THR   1  -7.940  -3.934   5.655
    7   1HG2  THR   1          1HG2      THR   1  -5.781  -4.928   4.651
    8   2HG2  THR   1          2HG2      THR   1  -5.725  -4.792   2.894
    9   3HG2  THR   1          3HG2      THR   1  -6.599  -6.125   3.647
   10    H    THR   2           H        THR   2  -4.707  -3.058   3.608
   11    HA   THR   2           HA       THR   2  -4.524  -2.360   0.702
   12    HB   THR   2           HB       THR   2  -2.422  -1.421   2.605
   13    HG1  THR   2           1HG      THR   2  -4.750   0.102   2.225
   14   1HG2  THR   2          1HG2      THR   2  -3.684  -0.537   0.027
   15   2HG2  THR   2          2HG2      THR   2  -1.981  -0.820   0.392
   16   3HG2  THR   2          3HG2      THR   2  -2.789   0.621   1.010
   17    H    CYS   3           H        CYS   3  -2.110  -2.860  -0.006
   18    HA   CYS   3           HA       CYS   3  -0.899  -5.118   1.478
   19   1HB   CYS   3          2HB       CYS   3  -2.327  -5.294  -1.176
   20   2HB   CYS   3          1HB       CYS   3  -1.075  -6.456  -0.741
   21    H    CYS   4           H        CYS   4   1.289  -5.377   0.943
   22    HA   CYS   4           HA       CYS   4   2.381  -3.891  -1.391
   23   1HB   CYS   4          2HB       CYS   4   2.874  -3.416   1.537
   24   2HB   CYS   4          1HB       CYS   4   4.164  -3.091   0.379
   25    HA   PRO   5           HA       PRO   5   4.731  -7.590  -1.700
   26   1HB   PRO   5          2HB       PRO   5   6.798  -6.624  -3.226
   27   2HB   PRO   5          1HB       PRO   5   5.181  -6.980  -3.871
   28   1HG   PRO   5          2HG       PRO   5   6.336  -4.360  -3.013
   29   2HG   PRO   5          1HG       PRO   5   5.379  -4.749  -4.454
   30   1HD   PRO   5          2HD       PRO   5   4.263  -3.577  -2.319
   31   2HD   PRO   5          1HD       PRO   5   3.380  -4.778  -3.285
   32    H    SER   6           H        SER   6   5.869  -4.821   0.021
   33    HA   SER   6           HA       SER   6   7.525  -6.335   1.768
   34   1HB   SER   6          2HB       SER   6   9.750  -5.383   0.746
   35   2HB   SER   6          1HB       SER   6   9.024  -6.820   0.036
   36    HG   SER   6           HG       SER   6   8.610  -4.142  -0.827
   37    H    ILE   7           H        ILE   7   9.461  -4.647   2.575
   38    HA   ILE   7           HA       ILE   7   8.071  -2.496   3.872
   39    HB   ILE   7           HB       ILE   7  11.042  -2.895   3.383
   40   1HG1  ILE   7          2HG1      ILE   7  10.143  -4.951   4.281
   41   2HG1  ILE   7          1HG1      ILE   7  10.922  -4.095   5.610
   42   1HG2  ILE   7          1HG2      ILE   7  11.083  -1.812   5.721
   43   2HG2  ILE   7          2HG2      ILE   7   9.416  -1.342   5.399
   44   3HG2  ILE   7          3HG2      ILE   7  10.713  -0.758   4.357
   45   1HD1  ILE   7          1HD1      ILE   7   8.744  -3.207   6.334
   46   2HD1  ILE   7          2HD1      ILE   7   8.706  -4.968   6.281
   47   3HD1  ILE   7          3HD1      ILE   7   7.954  -4.033   4.989
   48    H    VAL   8           H        VAL   8  10.244  -2.606   1.045
   49    HA   VAL   8           HA       VAL   8  10.549   0.151   0.552
   50    HB   VAL   8           HB       VAL   8  10.203  -2.216  -1.318
   51   1HG1  VAL   8          1HG1      VAL   8  11.412   0.511  -1.879
   52   2HG1  VAL   8          2HG1      VAL   8   9.840  -0.033  -2.466
   53   3HG1  VAL   8          3HG1      VAL   8  11.312  -0.838  -3.010
   54   1HG2  VAL   8          1HG2      VAL   8  12.869  -1.243  -1.180
   55   2HG2  VAL   8          2HG2      VAL   8  12.252  -2.777  -0.564
   56   3HG2  VAL   8          3HG2      VAL   8  12.283  -1.355   0.480
   57    H    ALA   9           H        ALA   9   8.055  -2.008  -0.869
   58    HA   ALA   9           HA       ALA   9   6.478   0.085  -2.024
   59   1HB   ALA   9          1HB       ALA   9   4.982  -2.240  -1.097
   60   2HB   ALA   9          2HB       ALA   9   6.509  -2.715  -1.838
   61   3HB   ALA   9          3HB       ALA   9   5.350  -1.747  -2.749
   62    H    ARG  10           H        ARG  10   5.621  -1.916   0.818
   63    HA   ARG  10           HA       ARG  10   3.562  -0.495   1.935
   64   1HB   ARG  10          2HB       ARG  10   5.149  -2.548   2.618
   65   2HB   ARG  10          1HB       ARG  10   5.798  -1.337   3.718
   66   1HG   ARG  10          2HG       ARG  10   3.907  -1.297   4.987
   67   2HG   ARG  10          1HG       ARG  10   2.848  -1.452   3.582
   68   1HD   ARG  10          2HD       ARG  10   4.170  -3.892   3.635
   69   2HD   ARG  10          1HD       ARG  10   3.882  -3.543   5.346
   70    HE   ARG  10           HE       ARG  10   1.828  -4.071   3.355
   71   1HH1  ARG  10          1HH2      ARG  10   2.582  -2.083   6.064
   72   2HH1  ARG  10          2HH2      ARG  10   0.975  -2.120   6.708
   73   1HH2  ARG  10          1HH1      ARG  10  -0.244  -4.262   4.274
   74   2HH2  ARG  10          2HH1      ARG  10  -0.622  -3.349   5.696
   75    H    SER  11           H        SER  11   7.036   0.212   2.478
   76    HA   SER  11           HA       SER  11   6.831   2.406   4.204
   77   1HB   SER  11          2HB       SER  11   8.921   1.333   3.464
   78   2HB   SER  11          1HB       SER  11   8.680   1.962   1.836
   79    HG   SER  11           HG       SER  11   8.523   4.076   3.150
   80    H    ASN  12           H        ASN  12   7.112   2.669   0.634
   81    HA   ASN  12           HA       ASN  12   6.551   5.413   0.375
   82   1HB   ASN  12          2HB       ASN  12   5.571   3.201  -1.447
   83   2HB   ASN  12          1HB       ASN  12   6.021   4.841  -1.912
   84   1HD2  ASN  12          1HD2      ASN  12   7.192   1.955  -2.467
   85   2HD2  ASN  12          2HD2      ASN  12   8.855   2.182  -2.226
   86    H    PHE  13           H        PHE  13   4.143   2.792  -0.115
   87    HA   PHE  13           HA       PHE  13   1.804   4.298  -0.211
   88   1HB   PHE  13          2HB       PHE  13   1.579   1.993  -0.534
   89   2HB   PHE  13          1HB       PHE  13   2.588   1.601   0.856
   90    HD1  PHE  13           1HD      PHE  13   1.088   0.095   1.973
   91    HD2  PHE  13           2HD      PHE  13  -0.205   4.045   0.886
   92    HE1  PHE  13           1HE      PHE  13  -0.937  -0.183   3.374
   93    HE2  PHE  13           2HE      PHE  13  -2.226   3.769   2.291
   94    HZ   PHE  13           HZ       PHE  13  -2.597   1.654   3.533
   95    H    ASN  14           H        ASN  14   3.592   3.249   2.684
   96    HA   ASN  14           HA       ASN  14   1.729   4.505   4.555
   97   1HB   ASN  14          2HB       ASN  14   4.329   3.042   4.581
   98   2HB   ASN  14          1HB       ASN  14   3.994   4.077   5.970
   99   1HD2  ASN  14          1HD2      ASN  14   3.041   1.120   4.323
  100   2HD2  ASN  14          2HD2      ASN  14   1.908   0.616   5.482
  101    H    VAL  15           H        VAL  15   4.416   5.511   2.651
  102    HA   VAL  15           HA       VAL  15   5.092   7.857   4.278
  103    HB   VAL  15           HB       VAL  15   6.172   6.252   2.159
  104   1HG1  VAL  15          1HG1      VAL  15   6.293   9.213   1.530
  105   2HG1  VAL  15          2HG1      VAL  15   5.259   8.073   0.670
  106   3HG1  VAL  15          3HG1      VAL  15   7.012   7.895   0.604
  107   1HG2  VAL  15          1HG2      VAL  15   7.817   6.662   3.638
  108   2HG2  VAL  15          2HG2      VAL  15   7.017   8.117   4.234
  109   3HG2  VAL  15          3HG2      VAL  15   8.042   8.198   2.801
  110    H    CYS  16           H        CYS  16   3.050   7.051   1.544
  111    HA   CYS  16           HA       CYS  16   2.572   9.842   0.774
  112   1HB   CYS  16          2HB       CYS  16   2.498   8.300  -0.990
  113   2HB   CYS  16          1HB       CYS  16   1.664   7.089  -0.021
  114    H    ARG  17           H        ARG  17   1.233   7.552   3.010
  115    HA   ARG  17           HA       ARG  17  -1.387   8.871   3.226
  116   1HB   ARG  17          2HB       ARG  17  -0.261   6.372   3.780
  117   2HB   ARG  17          1HB       ARG  17  -0.562   7.067   5.373
  118   1HG   ARG  17          2HG       ARG  17  -2.892   7.473   4.809
  119   2HG   ARG  17          1HG       ARG  17  -2.619   6.932   3.152
  120   1HD   ARG  17          2HD       ARG  17  -2.863   4.758   3.745
  121   2HD   ARG  17          1HD       ARG  17  -1.729   4.941   5.099
  122    HE   ARG  17           HE       ARG  17  -4.527   5.969   5.330
  123   1HH1  ARG  17          1HH1      ARG  17  -2.484   6.172   7.565
  124   2HH1  ARG  17          2HH1      ARG  17  -2.933   4.831   8.563
  125   1HH2  ARG  17          1HH2      ARG  17  -4.857   3.309   6.110
  126   2HH2  ARG  17          2HH2      ARG  17  -4.277   3.209   7.739
  127    H    LEU  18           H        LEU  18   1.730   9.512   4.321
  128    HA   LEU  18           HA       LEU  18   1.354  10.336   7.018
  129   1HB   LEU  18          2HB       LEU  18   3.310  10.297   4.936
  130   2HB   LEU  18          1HB       LEU  18   3.295  11.909   5.637
  131    HG   LEU  18           HG       LEU  18   3.703   9.278   7.064
  132   1HD1  LEU  18          1HD1      LEU  18   5.368  11.804   6.832
  133   2HD1  LEU  18          2HD1      LEU  18   5.700  10.270   6.031
  134   3HD1  LEU  18          3HD1      LEU  18   5.804  10.388   7.787
  135   1HD2  LEU  18          1HD2      LEU  18   2.610  10.233   8.809
  136   2HD2  LEU  18          2HD2      LEU  18   2.596  11.817   8.034
  137   3HD2  LEU  18          3HD2      LEU  18   4.014  11.294   8.942
  138    HA   PRO  19           HA       PRO  19   0.605  14.716   5.206
  139   1HB   PRO  19          2HB       PRO  19  -0.057  14.902   2.555
  140   2HB   PRO  19          1HB       PRO  19   1.612  14.993   3.149
  141   1HG   PRO  19          2HG       PRO  19   0.167  12.713   1.904
  142   2HG   PRO  19          1HG       PRO  19   1.853  13.221   1.717
  143   1HD   PRO  19          2HD       PRO  19   1.066  11.137   3.286
  144   2HD   PRO  19          1HD       PRO  19   2.537  12.085   3.580
  145    H    GLY  20           H        GLY  20  -1.262  11.977   4.027
  146   1HA   GLY  20          2HA       GLY  20  -3.577  11.974   5.157
  147   2HA   GLY  20          1HA       GLY  20  -3.761  13.570   4.430
  148    H    THR  21           H        THR  21  -1.996  11.467   2.421
  149    HA   THR  21           HA       THR  21  -3.983  11.467   0.381
  150    HB   THR  21           HB       THR  21  -1.625   9.617   0.629
  151    HG1  THR  21           1HG      THR  21  -1.688  12.412   0.266
  152   1HG2  THR  21          1HG2      THR  21  -2.829   9.278  -1.381
  153   2HG2  THR  21          2HG2      THR  21  -1.478  10.313  -1.846
  154   3HG2  THR  21          3HG2      THR  21  -3.077  11.008  -1.616
  155    HA   PRO  22           HA       PRO  22  -6.072   7.794   1.580
  156   1HB   PRO  22          2HB       PRO  22  -7.264   7.277  -0.829
  157   2HB   PRO  22          1HB       PRO  22  -7.820   8.550   0.274
  158   1HG   PRO  22          2HG       PRO  22  -6.211   8.769  -2.209
  159   2HG   PRO  22          1HG       PRO  22  -7.415   9.882  -1.541
  160   1HD   PRO  22          2HD       PRO  22  -4.678  10.231  -1.347
  161   2HD   PRO  22          1HD       PRO  22  -5.860  10.978  -0.276
  162    H    GLU  23           H        GLU  23  -5.057   5.896   1.754
  163    HA   GLU  23           HA       GLU  23  -2.797   4.893   0.648
  164   1HB   GLU  23          2HB       GLU  23  -3.773   2.642   1.081
  165   2HB   GLU  23          1HB       GLU  23  -4.152   3.786   2.369
  166   1HG   GLU  23          2HG       GLU  23  -6.336   4.253   1.166
  167   2HG   GLU  23          1HG       GLU  23  -5.964   2.883   0.119
  168    H    ALA  24           H        ALA  24  -5.876   5.106  -1.055
  169    HA   ALA  24           HA       ALA  24  -5.420   3.279  -3.176
  170   1HB   ALA  24          1HB       ALA  24  -7.562   4.335  -2.772
  171   2HB   ALA  24          2HB       ALA  24  -7.018   4.841  -4.372
  172   3HB   ALA  24          3HB       ALA  24  -6.866   5.939  -3.000
  173    H    LEU  25           H        LEU  25  -4.667   6.800  -3.016
  174    HA   LEU  25           HA       LEU  25  -3.260   6.745  -5.568
  175   1HB   LEU  25          2HB       LEU  25  -4.341   8.589  -3.718
  176   2HB   LEU  25          1HB       LEU  25  -2.623   8.959  -3.823
  177    HG   LEU  25           HG       LEU  25  -3.622   8.407  -6.461
  178   1HD1  LEU  25          1HD1      LEU  25  -5.775   9.127  -6.154
  179   2HD1  LEU  25          2HD1      LEU  25  -5.023  10.718  -6.280
  180   3HD1  LEU  25          3HD1      LEU  25  -5.373  10.031  -4.694
  181   1HD2  LEU  25          1HD2      LEU  25  -1.711   9.754  -6.289
  182   2HD2  LEU  25          2HD2      LEU  25  -2.393  10.723  -4.983
  183   3HD2  LEU  25          3HD2      LEU  25  -2.969  10.940  -6.635
  184    H    CYS  26           H        CYS  26  -2.417   6.041  -2.276
  185    HA   CYS  26           HA       CYS  26   0.452   6.565  -2.565
  186   1HB   CYS  26          2HB       CYS  26  -1.089   4.964  -0.500
  187   2HB   CYS  26          1HB       CYS  26   0.519   5.654  -0.308
  188    H    ALA  27           H        ALA  27  -1.714   3.805  -2.949
  189    HA   ALA  27           HA       ALA  27   0.571   1.960  -3.218
  190   1HB   ALA  27          1HB       ALA  27  -1.835   1.634  -2.116
  191   2HB   ALA  27          2HB       ALA  27  -1.026   0.290  -2.924
  192   3HB   ALA  27          3HB       ALA  27  -2.271   1.208  -3.772
  193    H    THR  28           H        THR  28  -1.290   3.981  -5.104
  194    HA   THR  28           HA       THR  28  -1.133   2.468  -7.611
  195    HB   THR  28           HB       THR  28  -2.344   4.911  -6.505
  196    HG1  THR  28           1HG      THR  28  -3.668   3.320  -7.145
  197   1HG2  THR  28          1HG2      THR  28  -2.551   5.911  -8.880
  198   2HG2  THR  28          2HG2      THR  28  -1.109   4.968  -9.253
  199   3HG2  THR  28          3HG2      THR  28  -1.053   6.203  -7.996
  200    H    TYR  29           H        TYR  29   0.608   5.056  -5.949
  201    HA   TYR  29           HA       TYR  29   2.392   5.619  -8.204
  202   1HB   TYR  29          2HB       TYR  29   1.536   6.813  -5.809
  203   2HB   TYR  29          1HB       TYR  29   3.246   6.473  -5.556
  204    HD1  TYR  29           1HD      TYR  29   4.166   8.649  -5.709
  205    HD2  TYR  29           2HD      TYR  29   1.588   7.185  -8.805
  206    HE1  TYR  29           1HE      TYR  29   4.774  10.595  -7.127
  207    HE2  TYR  29           2HE      TYR  29   2.189   9.126 -10.231
  208    HH   TYR  29           HH       TYR  29   3.062  11.372 -10.004
  209    H    THR  30           H        THR  30   2.611   3.928  -5.069
  210    HA   THR  30           HA       THR  30   5.386   3.110  -5.569
  211    HB   THR  30           HB       THR  30   4.234   3.717  -3.341
  212    HG1  THR  30           1HG      THR  30   5.526   1.220  -3.285
  213   1HG2  THR  30          1HG2      THR  30   2.485   1.764  -4.062
  214   2HG2  THR  30          2HG2      THR  30   2.746   2.296  -2.400
  215   3HG2  THR  30          3HG2      THR  30   3.579   0.865  -3.009
  216    H    GLY  31           H        GLY  31   2.399   1.982  -6.615
  217   1HA   GLY  31          2HA       GLY  31   2.206   0.074  -8.086
  218   2HA   GLY  31          1HA       GLY  31   3.619  -0.635  -7.308
  219    H    CYS  32           H        CYS  32   2.558  -0.068  -4.581
  220    HA   CYS  32           HA       CYS  32   1.367  -2.506  -3.931
  221   1HB   CYS  32          2HB       CYS  32   1.240   0.274  -2.770
  222   2HB   CYS  32          1HB       CYS  32   0.388  -1.056  -1.988
  223    H    ILE  33           H        ILE  33  -1.035  -2.592  -2.975
  224    HA   ILE  33           HA       ILE  33  -2.923  -1.195  -4.822
  225    HB   ILE  33           HB       ILE  33  -4.013  -3.481  -5.119
  226   1HG1  ILE  33          2HG1      ILE  33  -1.368  -4.667  -4.381
  227   2HG1  ILE  33          1HG1      ILE  33  -2.497  -4.294  -3.078
  228   1HG2  ILE  33          1HG2      ILE  33  -2.698  -3.935  -6.992
  229   2HG2  ILE  33          2HG2      ILE  33  -1.195  -3.550  -6.152
  230   3HG2  ILE  33          3HG2      ILE  33  -2.274  -2.254  -6.668
  231   1HD1  ILE  33          1HD1      ILE  33  -2.611  -6.646  -4.231
  232   2HD1  ILE  33          2HD1      ILE  33  -3.463  -5.778  -5.507
  233   3HD1  ILE  33          3HD1      ILE  33  -4.109  -5.793  -3.865
  234    H    ILE  34           H        ILE  34  -5.240  -1.552  -4.065
  235    HA   ILE  34           HA       ILE  34  -5.318  -1.488  -1.082
  236    HB   ILE  34           HB       ILE  34  -7.533  -0.716  -2.982
  237   1HG1  ILE  34          2HG1      ILE  34  -5.566   0.425  -3.854
  238   2HG1  ILE  34          1HG1      ILE  34  -6.541   1.596  -2.968
  239   1HG2  ILE  34          1HG2      ILE  34  -6.750  -0.208  -0.152
  240   2HG2  ILE  34          2HG2      ILE  34  -8.352  -0.454  -0.847
  241   3HG2  ILE  34          3HG2      ILE  34  -7.547   1.107  -1.013
  242   1HD1  ILE  34          1HD1      ILE  34  -5.077   1.581  -1.107
  243   2HD1  ILE  34          2HD1      ILE  34  -4.001   1.587  -2.505
  244   3HD1  ILE  34          3HD1      ILE  34  -4.298   0.086  -1.628
  245    H    ILE  35           H        ILE  35  -7.634  -2.310  -0.294
  246    HA   ILE  35           HA       ILE  35  -8.833  -4.506  -1.773
  247    HB   ILE  35           HB       ILE  35  -6.835  -5.684  -1.267
  248   1HG1  ILE  35          2HG1      ILE  35  -8.856  -6.216   0.932
  249   2HG1  ILE  35          1HG1      ILE  35  -8.776  -7.007  -0.642
  250   1HG2  ILE  35          1HG2      ILE  35  -5.835  -5.647   1.025
  251   2HG2  ILE  35          2HG2      ILE  35  -7.035  -4.445   1.493
  252   3HG2  ILE  35          3HG2      ILE  35  -5.840  -4.061   0.255
  253   1HD1  ILE  35          1HD1      ILE  35  -7.765  -8.297   1.329
  254   2HD1  ILE  35          2HD1      ILE  35  -6.475  -7.094   1.315
  255   3HD1  ILE  35          3HD1      ILE  35  -6.742  -8.119  -0.097
  256    HA   PRO  36           HA       PRO  36 -11.847  -3.335   1.248
  257   1HB   PRO  36          2HB       PRO  36 -13.752  -5.176   0.564
  258   2HB   PRO  36          1HB       PRO  36 -13.425  -3.720  -0.397
  259   1HG   PRO  36          2HG       PRO  36 -12.574  -6.529  -0.863
  260   2HG   PRO  36          1HG       PRO  36 -13.056  -5.285  -2.027
  261   1HD   PRO  36          2HD       PRO  36 -10.457  -6.000  -1.525
  262   2HD   PRO  36          1HD       PRO  36 -10.952  -4.414  -2.157
  263    H    GLY  37           H        GLY  37 -10.671  -6.640   0.866
  264   1HA   GLY  37          2HA       GLY  37 -11.308  -7.111   3.750
  265   2HA   GLY  37          1HA       GLY  37 -11.449  -8.387   2.544
  266    H    ALA  38           H        ALA  38  -9.867  -9.759   3.289
  267    HA   ALA  38           HA       ALA  38  -7.051  -8.713   3.236
  268   1HB   ALA  38          1HB       ALA  38  -6.615 -10.071   5.189
  269   2HB   ALA  38          2HB       ALA  38  -8.215 -10.805   5.089
  270   3HB   ALA  38          3HB       ALA  38  -8.051  -9.102   5.520
  271    H    THR  39           H        THR  39  -8.814 -10.239   1.288
  272    HA   THR  39           HA       THR  39  -7.749 -12.943   1.182
  273    HB   THR  39           HB       THR  39  -9.983 -11.792   0.346
  274    HG1  THR  39           1HG      THR  39 -10.324 -13.627  -0.767
  275   1HG2  THR  39          1HG2      THR  39 -10.007 -10.992  -1.812
  276   2HG2  THR  39          2HG2      THR  39  -8.606 -11.949  -2.293
  277   3HG2  THR  39          3HG2      THR  39  -8.388 -10.490  -1.327
  278    H    CYS  40           H        CYS  40  -6.211 -10.185   0.709
  279    HA   CYS  40           HA       CYS  40  -4.982 -10.009  -1.748
  280   1HB   CYS  40          2HB       CYS  40  -4.325  -9.479   1.044
  281   2HB   CYS  40          1HB       CYS  40  -2.883  -9.831   0.094
  282    HA   PRO  41           HA       PRO  41  -2.802 -13.740  -2.518
  283   1HB   PRO  41          2HB       PRO  41  -0.529 -12.833  -3.739
  284   2HB   PRO  41          1HB       PRO  41  -2.122 -12.812  -4.523
  285   1HG   PRO  41          2HG       PRO  41  -0.626 -10.597  -3.217
  286   2HG   PRO  41          1HG       PRO  41  -1.631 -10.576  -4.675
  287   1HD   PRO  41          2HD       PRO  41  -2.472  -9.670  -2.237
  288   2HD   PRO  41          1HD       PRO  41  -3.566 -10.293  -3.491
  289    H    GLY  42           H        GLY  42  -0.096 -14.311  -2.499
  290   1HA   GLY  42          2HA       GLY  42   0.605 -13.880   0.370
  291   2HA   GLY  42          1HA       GLY  42   1.136 -15.256  -0.597
  292    H    ASP  43           H        ASP  43   1.443 -12.872  -2.734
  293    HA   ASP  43           HA       ASP  43   4.323 -12.483  -2.104
  294   1HB   ASP  43          2HB       ASP  43   2.537 -12.525  -4.466
  295   2HB   ASP  43          1HB       ASP  43   3.846 -11.345  -4.548
  296    H    TYR  44           H        TYR  44   1.306 -10.792  -2.081
  297    HA   TYR  44           HA       TYR  44   2.741  -8.188  -1.674
  298   1HB   TYR  44          2HB       TYR  44  -0.096  -8.692  -2.630
  299   2HB   TYR  44          1HB       TYR  44   0.773  -7.157  -2.653
  300    HD1  TYR  44           1HD      TYR  44  -0.494  -8.837  -5.018
  301    HD2  TYR  44           2HD      TYR  44   3.487  -8.367  -3.476
  302    HE1  TYR  44           1HE      TYR  44   0.436  -9.386  -7.251
  303    HE2  TYR  44           2HE      TYR  44   4.416  -8.919  -5.707
  304    HH   TYR  44           HH       TYR  44   2.272  -9.609  -8.473
  305    H    ALA  45           H        ALA  45   1.711 -10.509   0.179
  306    HA   ALA  45           HA       ALA  45  -0.286  -9.109   1.842
  307   1HB   ALA  45          1HB       ALA  45   0.791 -11.791   1.436
  308   2HB   ALA  45          2HB       ALA  45  -0.764 -11.309   2.114
  309   3HB   ALA  45          3HB       ALA  45   0.659 -11.398   3.150
  310    H    ASN  46           H        ASN  46   2.503  -8.007   1.504
  311    HA   ASN  46           HA       ASN  46   3.462  -8.217   4.334
  312   1HB   ASN  46          2HB       ASN  46   5.110  -8.924   2.742
  313   2HB   ASN  46          1HB       ASN  46   4.778  -7.548   1.689
  314   1HD2  ASN  46          1HD2      ASN  46   5.276  -5.326   2.703
  315   2HD2  ASN  46          2HD2      ASN  46   6.602  -5.226   3.758
  Start of MODEL   12
    1   1H    THR   1          1HT       THR   1  -8.959  -3.238   4.102
    2   2H    THR   1          2HT       THR   1  -7.839  -2.064   4.606
    3   3H    THR   1          3HT       THR   1  -8.588  -3.075   5.749
    4    HA   THR   1           HA       THR   1  -6.456  -3.990   5.496
    5    HB   THR   1           HB       THR   1  -8.654  -5.283   3.887
    6    HG1  THR   1           1HG      THR   1  -7.594  -5.424   6.468
    7   1HG2  THR   1          1HG2      THR   1  -6.911  -6.416   2.875
    8   2HG2  THR   1          2HG2      THR   1  -7.082  -7.388   4.338
    9   3HG2  THR   1          3HG2      THR   1  -5.819  -6.161   4.236
   10    H    THR   2           H        THR   2  -4.593  -3.674   4.371
   11    HA   THR   2           HA       THR   2  -4.761  -3.331   1.400
   12    HB   THR   2           HB       THR   2  -4.405  -1.252   2.841
   13    HG1  THR   2           1HG      THR   2  -2.397  -2.043   1.000
   14   1HG2  THR   2          1HG2      THR   2  -2.623  -2.878   4.144
   15   2HG2  THR   2          2HG2      THR   2  -2.642  -1.117   4.251
   16   3HG2  THR   2          3HG2      THR   2  -1.558  -1.920   3.115
   17    H    CYS   3           H        CYS   3  -2.581  -3.810   0.348
   18    HA   CYS   3           HA       CYS   3  -0.743  -5.514   1.907
   19   1HB   CYS   3          2HB       CYS   3  -2.944  -6.491   0.227
   20   2HB   CYS   3          1HB       CYS   3  -1.383  -7.191  -0.203
   21    H    CYS   4           H        CYS   4   1.174  -4.617   1.203
   22    HA   CYS   4           HA       CYS   4   1.453  -3.767  -1.629
   23   1HB   CYS   4          2HB       CYS   4   3.423  -3.564   0.664
   24   2HB   CYS   4          1HB       CYS   4   3.379  -2.586  -0.803
   25    HA   PRO   5           HA       PRO   5   3.861  -7.222  -2.831
   26   1HB   PRO   5          2HB       PRO   5   5.825  -6.074  -4.353
   27   2HB   PRO   5          1HB       PRO   5   4.140  -6.218  -4.890
   28   1HG   PRO   5          2HG       PRO   5   5.565  -3.866  -3.742
   29   2HG   PRO   5          1HG       PRO   5   4.386  -3.937  -5.062
   30   1HD   PRO   5          2HD       PRO   5   3.746  -3.142  -2.547
   31   2HD   PRO   5          1HD       PRO   5   2.590  -3.939  -3.635
   32    H    SER   6           H        SER   6   5.143  -4.904  -0.725
   33    HA   SER   6           HA       SER   6   7.022  -6.737   0.451
   34   1HB   SER   6          2HB       SER   6   9.063  -5.983  -0.448
   35   2HB   SER   6          1HB       SER   6   8.002  -5.982  -1.853
   36    HG   SER   6           HG       SER   6   8.280  -3.911  -1.965
   37    H    ILE   7           H        ILE   7   8.480  -5.509   2.074
   38    HA   ILE   7           HA       ILE   7   6.892  -3.746   3.683
   39    HB   ILE   7           HB       ILE   7   9.891  -4.224   3.635
   40   1HG1  ILE   7          2HG1      ILE   7   8.694  -6.343   3.735
   41   2HG1  ILE   7          1HG1      ILE   7   9.333  -5.983   5.339
   42   1HG2  ILE   7          1HG2      ILE   7   8.530  -3.835   6.204
   43   2HG2  ILE   7          2HG2      ILE   7   8.428  -2.424   5.150
   44   3HG2  ILE   7          3HG2      ILE   7  10.003  -3.085   5.591
   45   1HD1  ILE   7          1HD1      ILE   7   6.527  -6.102   4.409
   46   2HD1  ILE   7          2HD1      ILE   7   6.907  -4.746   5.471
   47   3HD1  ILE   7          3HD1      ILE   7   7.196  -6.400   6.013
   48    H    VAL   8           H        VAL   8   9.406  -3.175   1.249
   49    HA   VAL   8           HA       VAL   8   9.748  -0.355   1.753
   50    HB   VAL   8           HB       VAL   8  10.138  -2.064  -0.730
   51   1HG1  VAL   8          1HG1      VAL   8  12.001  -0.109  -0.899
   52   2HG1  VAL   8          2HG1      VAL   8  10.713   0.780  -0.085
   53   3HG1  VAL   8          3HG1      VAL   8  10.409   0.018  -1.647
   54   1HG2  VAL   8          1HG2      VAL   8  12.261  -1.163   1.216
   55   2HG2  VAL   8          2HG2      VAL   8  12.329  -2.483   0.050
   56   3HG2  VAL   8          3HG2      VAL   8  11.341  -2.640   1.502
   57    H    ALA   9           H        ALA   9   7.848  -2.131  -0.720
   58    HA   ALA   9           HA       ALA   9   6.615   0.040  -2.013
   59   1HB   ALA   9          1HB       ALA   9   4.861  -1.634  -2.538
   60   2HB   ALA   9          2HB       ALA   9   5.465  -2.665  -1.241
   61   3HB   ALA   9          3HB       ALA   9   6.468  -2.350  -2.657
   62    H    ARG  10           H        ARG  10   5.851  -1.496   1.071
   63    HA   ARG  10           HA       ARG  10   3.390   0.018   1.508
   64   1HB   ARG  10          2HB       ARG  10   3.456  -2.096   2.495
   65   2HB   ARG  10          1HB       ARG  10   5.159  -1.968   2.892
   66   1HG   ARG  10          2HG       ARG  10   3.946   0.063   4.393
   67   2HG   ARG  10          1HG       ARG  10   2.842  -1.306   4.510
   68   1HD   ARG  10          2HD       ARG  10   5.718  -1.986   4.749
   69   2HD   ARG  10          1HD       ARG  10   5.028  -1.061   6.092
   70    HE   ARG  10           HE       ARG  10   4.089  -3.734   5.179
   71   1HH1  ARG  10          1HH1      ARG  10   3.200  -0.890   6.837
   72   2HH1  ARG  10          2HH1      ARG  10   2.474  -1.715   8.175
   73   1HH2  ARG  10          1HH2      ARG  10   3.435  -4.866   7.093
   74   2HH2  ARG  10          2HH2      ARG  10   2.607  -3.967   8.320
   75    H    SER  11           H        SER  11   6.800   0.237   2.347
   76    HA   SER  11           HA       SER  11   6.691   2.214   4.392
   77   1HB   SER  11          2HB       SER  11   8.917   1.836   4.216
   78   2HB   SER  11          1HB       SER  11   8.589   0.834   2.806
   79    HG   SER  11           HG       SER  11   9.224   3.587   2.939
   80    H    ASN  12           H        ASN  12   6.952   2.575   0.837
   81    HA   ASN  12           HA       ASN  12   6.903   5.480   0.894
   82   1HB   ASN  12          2HB       ASN  12   5.982   3.777  -1.417
   83   2HB   ASN  12          1HB       ASN  12   6.920   5.267  -1.454
   84   1HD2  ASN  12          1HD2      ASN  12   7.353   2.197  -2.264
   85   2HD2  ASN  12          2HD2      ASN  12   8.947   1.928  -1.754
   86    H    PHE  13           H        PHE  13   4.476   2.974   0.174
   87    HA   PHE  13           HA       PHE  13   2.230   4.558  -0.393
   88   1HB   PHE  13          2HB       PHE  13   1.852   2.305  -0.652
   89   2HB   PHE  13          1HB       PHE  13   2.861   1.873   0.718
   90    HD1  PHE  13           1HD      PHE  13  -0.388   3.600  -0.025
   91    HD2  PHE  13           2HD      PHE  13   1.831   1.082   2.655
   92    HE1  PHE  13           1HE      PHE  13  -2.408   3.315   1.383
   93    HE2  PHE  13           2HE      PHE  13  -0.190   0.796   4.061
   94    HZ   PHE  13           HZ       PHE  13  -2.311   1.913   3.425
   95    H    ASN  14           H        ASN  14   3.754   3.826   2.676
   96    HA   ASN  14           HA       ASN  14   1.605   4.970   4.314
   97   1HB   ASN  14          2HB       ASN  14   4.326   3.765   4.684
   98   2HB   ASN  14          1HB       ASN  14   3.625   4.685   6.015
   99   1HD2  ASN  14          1HD2      ASN  14   4.037   1.864   6.240
  100   2HD2  ASN  14          2HD2      ASN  14   2.521   1.101   6.297
  101    H    VAL  15           H        VAL  15   4.496   6.111   2.747
  102    HA   VAL  15           HA       VAL  15   4.842   8.477   4.417
  103    HB   VAL  15           HB       VAL  15   6.170   7.007   2.344
  104   1HG1  VAL  15          1HG1      VAL  15   7.122   8.912   1.048
  105   2HG1  VAL  15          2HG1      VAL  15   5.931   9.977   1.794
  106   3HG1  VAL  15          3HG1      VAL  15   5.404   8.668   0.736
  107   1HG2  VAL  15          1HG2      VAL  15   7.953   7.624   3.584
  108   2HG2  VAL  15          2HG2      VAL  15   6.776   8.357   4.674
  109   3HG2  VAL  15          3HG2      VAL  15   7.566   9.339   3.440
  110    H    CYS  16           H        CYS  16   3.158   7.686   1.412
  111    HA   CYS  16           HA       CYS  16   2.497  10.486   0.811
  112   1HB   CYS  16          2HB       CYS  16   2.712   9.228  -1.118
  113   2HB   CYS  16          1HB       CYS  16   2.151   7.753  -0.340
  114    H    ARG  17           H        ARG  17   1.042   7.752   2.435
  115    HA   ARG  17           HA       ARG  17  -1.631   8.972   2.598
  116   1HB   ARG  17          2HB       ARG  17  -0.613   6.423   2.519
  117   2HB   ARG  17          1HB       ARG  17  -0.889   6.628   4.248
  118   1HG   ARG  17          2HG       ARG  17  -2.911   6.906   2.016
  119   2HG   ARG  17          1HG       ARG  17  -2.916   5.741   3.342
  120   1HD   ARG  17          2HD       ARG  17  -3.278   7.512   4.968
  121   2HD   ARG  17          1HD       ARG  17  -3.144   8.748   3.705
  122    HE   ARG  17           HE       ARG  17  -5.115   6.963   2.812
  123   1HH1  ARG  17          1HH1      ARG  17  -5.139   7.413   6.023
  124   2HH1  ARG  17          2HH1      ARG  17  -6.543   8.424   6.107
  125   1HH2  ARG  17          1HH2      ARG  17  -6.678   8.970   2.686
  126   2HH2  ARG  17          2HH2      ARG  17  -7.414   9.307   4.217
  127    H    LEU  18           H        LEU  18   1.218   9.618   4.069
  128    HA   LEU  18           HA       LEU  18   0.503   9.604   6.876
  129   1HB   LEU  18          2HB       LEU  18   2.733  10.027   5.151
  130   2HB   LEU  18          1HB       LEU  18   2.580  11.449   6.175
  131    HG   LEU  18           HG       LEU  18   2.706   8.574   7.119
  132   1HD1  LEU  18          1HD1      LEU  18   4.884   9.067   7.904
  133   2HD1  LEU  18          2HD1      LEU  18   4.645  10.806   7.734
  134   3HD1  LEU  18          3HD1      LEU  18   4.833   9.797   6.299
  135   1HD2  LEU  18          1HD2      LEU  18   1.829   9.286   9.070
  136   2HD2  LEU  18          2HD2      LEU  18   1.543  10.866   8.340
  137   3HD2  LEU  18          3HD2      LEU  18   3.057  10.546   9.185
  138    HA   PRO  19           HA       PRO  19  -0.136  14.267   6.074
  139   1HB   PRO  19          2HB       PRO  19  -0.353  15.126   3.488
  140   2HB   PRO  19          1HB       PRO  19   1.193  15.044   4.355
  141   1HG   PRO  19          2HG       PRO  19   0.061  13.195   2.331
  142   2HG   PRO  19          1HG       PRO  19   1.740  13.680   2.610
  143   1HD   PRO  19          2HD       PRO  19   0.654  11.288   3.412
  144   2HD   PRO  19          1HD       PRO  19   2.086  12.036   4.148
  145    H    GLY  20           H        GLY  20  -1.650  13.572   2.958
  146   1HA   GLY  20          2HA       GLY  20  -4.203  12.891   4.243
  147   2HA   GLY  20          1HA       GLY  20  -4.172  14.459   3.437
  148    H    THR  21           H        THR  21  -2.336  11.698   2.203
  149    HA   THR  21           HA       THR  21  -3.885  11.889  -0.277
  150    HB   THR  21           HB       THR  21  -1.652   9.969   0.279
  151    HG1  THR  21           1HG      THR  21  -1.325  12.708  -0.400
  152   1HG2  THR  21          1HG2      THR  21  -1.146  10.789  -2.142
  153   2HG2  THR  21          2HG2      THR  21  -2.768  11.465  -2.084
  154   3HG2  THR  21          3HG2      THR  21  -2.532   9.728  -1.887
  155    HA   PRO  22           HA       PRO  22  -6.230   8.323   0.734
  156   1HB   PRO  22          2HB       PRO  22  -7.085   7.768  -1.809
  157   2HB   PRO  22          1HB       PRO  22  -7.760   9.082  -0.826
  158   1HG   PRO  22          2HG       PRO  22  -5.770   9.200  -3.032
  159   2HG   PRO  22          1HG       PRO  22  -7.068  10.333  -2.620
  160   1HD   PRO  22          2HD       PRO  22  -4.425  10.743  -1.985
  161   2HD   PRO  22          1HD       PRO  22  -5.770  11.444  -1.079
  162    H    GLU  23           H        GLU  23  -5.373   6.379   1.059
  163    HA   GLU  23           HA       GLU  23  -3.015   5.250   0.437
  164   1HB   GLU  23          2HB       GLU  23  -5.661   3.775   0.241
  165   2HB   GLU  23          1HB       GLU  23  -4.111   3.084   0.717
  166   1HG   GLU  23          2HG       GLU  23  -4.430   5.278   2.411
  167   2HG   GLU  23          1HG       GLU  23  -6.038   4.561   2.323
  168    H    ALA  24           H        ALA  24  -5.665   5.587  -1.878
  169    HA   ALA  24           HA       ALA  24  -4.783   3.783  -3.895
  170   1HB   ALA  24          1HB       ALA  24  -6.623   6.035  -3.532
  171   2HB   ALA  24          2HB       ALA  24  -6.833   4.564  -4.483
  172   3HB   ALA  24          3HB       ALA  24  -5.981   5.946  -5.173
  173    H    LEU  25           H        LEU  25  -4.176   7.317  -3.563
  174    HA   LEU  25           HA       LEU  25  -2.399   7.482  -5.812
  175   1HB   LEU  25          2HB       LEU  25  -3.631   9.141  -3.914
  176   2HB   LEU  25          1HB       LEU  25  -1.903   9.382  -3.666
  177    HG   LEU  25           HG       LEU  25  -2.300   9.313  -6.468
  178   1HD1  LEU  25          1HD1      LEU  25  -4.393  10.889  -4.963
  179   2HD1  LEU  25          2HD1      LEU  25  -4.621   9.785  -6.320
  180   3HD1  LEU  25          3HD1      LEU  25  -3.871  11.360  -6.580
  181   1HD2  LEU  25          1HD2      LEU  25  -1.174  11.349  -6.380
  182   2HD2  LEU  25          2HD2      LEU  25  -0.762  10.685  -4.799
  183   3HD2  LEU  25          3HD2      LEU  25  -2.047  11.885  -4.944
  184    H    CYS  26           H        CYS  26  -1.893   6.722  -2.387
  185    HA   CYS  26           HA       CYS  26   1.003   6.907  -2.464
  186   1HB   CYS  26          2HB       CYS  26  -0.794   5.315  -0.610
  187   2HB   CYS  26          1HB       CYS  26   0.821   5.927  -0.254
  188    H    ALA  27           H        ALA  27  -1.341   4.280  -2.939
  189    HA   ALA  27           HA       ALA  27   0.825   2.311  -3.305
  190   1HB   ALA  27          1HB       ALA  27  -0.825   0.867  -2.714
  191   2HB   ALA  27          2HB       ALA  27  -1.889   1.483  -3.979
  192   3HB   ALA  27          3HB       ALA  27  -1.824   2.287  -2.411
  193    H    THR  28           H        THR  28  -0.367   4.671  -5.131
  194    HA   THR  28           HA       THR  28  -0.631   3.182  -7.674
  195    HB   THR  28           HB       THR  28  -1.501   5.673  -6.483
  196    HG1  THR  28           1HG      THR  28  -3.136   5.099  -7.634
  197   1HG2  THR  28          1HG2      THR  28   0.141   6.912  -7.645
  198   2HG2  THR  28          2HG2      THR  28  -1.288   7.005  -8.675
  199   3HG2  THR  28          3HG2      THR  28   0.019   5.891  -9.078
  200    H    TYR  29           H        TYR  29   1.488   5.545  -6.076
  201    HA   TYR  29           HA       TYR  29   3.384   5.574  -8.331
  202   1HB   TYR  29          2HB       TYR  29   2.789   7.553  -6.897
  203   2HB   TYR  29          1HB       TYR  29   3.561   6.742  -5.534
  204    HD1  TYR  29           1HD      TYR  29   4.671   6.680  -9.088
  205    HD2  TYR  29           2HD      TYR  29   5.423   8.170  -5.130
  206    HE1  TYR  29           1HE      TYR  29   6.880   7.528  -9.827
  207    HE2  TYR  29           2HE      TYR  29   7.632   9.018  -5.869
  208    HH   TYR  29           HH       TYR  29   8.567   9.014  -9.240
  209    H    THR  30           H        THR  30   3.028   4.017  -5.183
  210    HA   THR  30           HA       THR  30   5.795   2.965  -5.295
  211    HB   THR  30           HB       THR  30   4.488   3.894  -3.249
  212    HG1  THR  30           1HG      THR  30   5.614   1.347  -2.866
  213   1HG2  THR  30          1HG2      THR  30   3.624   1.172  -2.627
  214   2HG2  THR  30          2HG2      THR  30   2.734   1.885  -3.972
  215   3HG2  THR  30          3HG2      THR  30   2.771   2.701  -2.409
  216    H    GLY  31           H        GLY  31   2.546   1.976  -6.055
  217   1HA   GLY  31          2HA       GLY  31   2.223   0.042  -7.517
  218   2HA   GLY  31          1HA       GLY  31   3.621  -0.715  -6.757
  219    H    CYS  32           H        CYS  32   2.873  -0.161  -4.030
  220    HA   CYS  32           HA       CYS  32   1.515  -2.409  -3.213
  221   1HB   CYS  32          2HB       CYS  32   2.557  -0.806  -1.701
  222   2HB   CYS  32          1HB       CYS  32   1.351   0.415  -2.114
  223    H    ILE  33           H        ILE  33  -0.747  -2.777  -2.529
  224    HA   ILE  33           HA       ILE  33  -2.753  -1.072  -3.959
  225    HB   ILE  33           HB       ILE  33  -3.817  -3.176  -4.728
  226   1HG1  ILE  33          2HG1      ILE  33  -1.641  -4.984  -4.299
  227   2HG1  ILE  33          1HG1      ILE  33  -2.087  -4.288  -2.741
  228   1HG2  ILE  33          1HG2      ILE  33  -0.871  -2.882  -5.384
  229   2HG2  ILE  33          2HG2      ILE  33  -2.222  -2.123  -6.229
  230   3HG2  ILE  33          3HG2      ILE  33  -1.999  -3.871  -6.310
  231   1HD1  ILE  33          1HD1      ILE  33  -3.455  -6.251  -3.084
  232   2HD1  ILE  33          2HD1      ILE  33  -3.917  -5.704  -4.696
  233   3HD1  ILE  33          3HD1      ILE  33  -4.490  -4.835  -3.273
  234    H    ILE  34           H        ILE  34  -4.796  -0.984  -2.919
  235    HA   ILE  34           HA       ILE  34  -4.842  -2.106  -0.143
  236    HB   ILE  34           HB       ILE  34  -6.388   0.177  -1.411
  237   1HG1  ILE  34          2HG1      ILE  34  -4.702   1.350   0.345
  238   2HG1  ILE  34          1HG1      ILE  34  -3.704  -0.020  -0.141
  239   1HG2  ILE  34          1HG2      ILE  34  -5.952  -0.486   1.513
  240   2HG2  ILE  34          2HG2      ILE  34  -7.392  -0.962   0.614
  241   3HG2  ILE  34          3HG2      ILE  34  -7.021   0.747   0.845
  242   1HD1  ILE  34          1HD1      ILE  34  -5.104   1.631  -2.228
  243   2HD1  ILE  34          2HD1      ILE  34  -3.648   0.649  -2.385
  244   3HD1  ILE  34          3HD1      ILE  34  -3.583   2.193  -1.535
  245    H    ILE  35           H        ILE  35  -6.992  -2.869   0.621
  246    HA   ILE  35           HA       ILE  35  -8.978  -3.541  -1.482
  247    HB   ILE  35           HB       ILE  35  -8.797  -5.968  -0.731
  248   1HG1  ILE  35          2HG1      ILE  35  -6.227  -4.934   0.508
  249   2HG1  ILE  35          1HG1      ILE  35  -7.644  -5.470   1.414
  250   1HG2  ILE  35          1HG2      ILE  35  -6.134  -5.096  -1.796
  251   2HG2  ILE  35          2HG2      ILE  35  -7.581  -4.765  -2.748
  252   3HG2  ILE  35          3HG2      ILE  35  -7.165  -6.426  -2.324
  253   1HD1  ILE  35          1HD1      ILE  35  -6.296  -7.391   1.384
  254   2HD1  ILE  35          2HD1      ILE  35  -5.756  -7.103  -0.270
  255   3HD1  ILE  35          3HD1      ILE  35  -7.399  -7.670   0.036
  256    HA   PRO  36           HA       PRO  36 -11.809  -3.169   1.855
  257   1HB   PRO  36          2HB       PRO  36 -13.588  -5.209   1.412
  258   2HB   PRO  36          1HB       PRO  36 -13.536  -3.736   0.424
  259   1HG   PRO  36          2HG       PRO  36 -12.398  -6.431  -0.141
  260   2HG   PRO  36          1HG       PRO  36 -13.224  -5.306  -1.231
  261   1HD   PRO  36          2HD       PRO  36 -10.532  -5.591  -1.193
  262   2HD   PRO  36          1HD       PRO  36 -11.328  -4.053  -1.593
  263    H    GLY  37           H        GLY  37 -10.138  -6.176   1.369
  264   1HA   GLY  37          2HA       GLY  37  -8.987  -7.033   3.422
  265   2HA   GLY  37          1HA       GLY  37 -10.513  -6.828   4.264
  266    H    ALA  38           H        ALA  38  -8.613  -9.121   3.236
  267    HA   ALA  38           HA       ALA  38 -10.716 -11.111   3.090
  268   1HB   ALA  38          1HB       ALA  38 -10.904 -10.429   0.823
  269   2HB   ALA  38          2HB       ALA  38  -9.854 -11.844   0.755
  270   3HB   ALA  38          3HB       ALA  38  -9.158 -10.225   0.661
  271    H    THR  39           H        THR  39  -7.711 -11.457   1.367
  272    HA   THR  39           HA       THR  39  -6.296 -12.569   3.685
  273    HB   THR  39           HB       THR  39  -8.033 -14.196   2.501
  274    HG1  THR  39           1HG      THR  39  -5.423 -14.820   3.396
  275   1HG2  THR  39          1HG2      THR  39  -5.622 -15.143   1.059
  276   2HG2  THR  39          2HG2      THR  39  -6.454 -13.753   0.364
  277   3HG2  THR  39          3HG2      THR  39  -7.324 -15.267   0.612
  278    H    CYS  40           H        CYS  40  -6.166 -10.933   0.882
  279    HA   CYS  40           HA       CYS  40  -4.426 -10.252  -0.559
  280   1HB   CYS  40          2HB       CYS  40  -3.039 -11.138   1.980
  281   2HB   CYS  40          1HB       CYS  40  -2.185 -10.333   0.665
  282    HA   PRO  41           HA       PRO  41  -2.868 -13.853  -2.567
  283   1HB   PRO  41          2HB       PRO  41  -0.894 -12.747  -4.103
  284   2HB   PRO  41          1HB       PRO  41  -2.618 -12.505  -4.439
  285   1HG   PRO  41          2HG       PRO  41  -0.655 -10.671  -3.214
  286   2HG   PRO  41          1HG       PRO  41  -2.069 -10.310  -4.211
  287   1HD   PRO  41          2HD       PRO  41  -1.926 -10.059  -1.438
  288   2HD   PRO  41          1HD       PRO  41  -3.418 -10.110  -2.401
  289    H    GLY  42           H        GLY  42  -0.122 -14.244  -3.349
  290   1HA   GLY  42          2HA       GLY  42   1.114 -14.572  -0.651
  291   2HA   GLY  42          1HA       GLY  42   1.457 -15.602  -2.038
  292    H    ASP  43           H        ASP  43   1.342 -12.780  -3.519
  293    HA   ASP  43           HA       ASP  43   4.265 -12.287  -3.140
  294   1HB   ASP  43          2HB       ASP  43   3.946 -11.160  -5.402
  295   2HB   ASP  43          1HB       ASP  43   3.633 -12.895  -5.380
  296    H    TYR  44           H        TYR  44   1.144 -10.905  -2.633
  297    HA   TYR  44           HA       TYR  44   2.392  -8.224  -2.129
  298   1HB   TYR  44          2HB       TYR  44  -0.504  -8.919  -2.706
  299   2HB   TYR  44          1HB       TYR  44   0.208  -7.310  -2.670
  300    HD1  TYR  44           1HD      TYR  44  -1.274  -8.764  -5.019
  301    HD2  TYR  44           2HD      TYR  44   2.865  -8.213  -4.020
  302    HE1  TYR  44           1HE      TYR  44  -0.666  -8.958  -7.416
  303    HE2  TYR  44           2HE      TYR  44   3.473  -8.407  -6.413
  304    HH   TYR  44           HH       TYR  44   1.509  -9.677  -8.709
  305    H    ALA  45           H        ALA  45   1.851 -10.818  -0.404
  306    HA   ALA  45           HA       ALA  45   0.021  -9.783   1.663
  307   1HB   ALA  45          1HB       ALA  45  -0.150 -12.078   1.500
  308   2HB   ALA  45          2HB       ALA  45   1.122 -12.003   2.719
  309   3HB   ALA  45          3HB       ALA  45   1.537 -12.272   1.026
  310    H    ASN  46           H        ASN  46   2.559  -8.285   1.077
  311    HA   ASN  46           HA       ASN  46   3.951  -8.608   3.715
  312   1HB   ASN  46          2HB       ASN  46   4.972  -8.789   1.222
  313   2HB   ASN  46          1HB       ASN  46   5.121  -7.047   1.461
  314   1HD2  ASN  46          1HD2      ASN  46   5.514  -9.813   3.753
  315   2HD2  ASN  46          2HD2      ASN  46   7.078  -9.371   4.241
  Start of MODEL   13
    1   1H    THR   1          1HT       THR   1  -8.637  -3.706   2.885
    2   2H    THR   1          2HT       THR   1  -7.730  -2.345   2.430
    3   3H    THR   1          3HT       THR   1  -8.221  -2.539   4.044
    4    HA   THR   1           HA       THR   1  -6.267  -3.510   4.461
    5    HB   THR   1           HB       THR   1  -7.671  -5.443   2.611
    6    HG1  THR   1           1HG      THR   1  -7.059  -5.508   5.377
    7   1HG2  THR   1          1HG2      THR   1  -5.151  -6.014   4.192
    8   2HG2  THR   1          2HG2      THR   1  -5.196  -5.782   2.444
    9   3HG2  THR   1          3HG2      THR   1  -6.038  -7.149   3.174
   10    H    THR   2           H        THR   2  -4.234  -2.959   3.778
   11    HA   THR   2           HA       THR   2  -3.785  -2.434   0.889
   12    HB   THR   2           HB       THR   2  -1.866  -1.985   3.177
   13    HG1  THR   2           1HG      THR   2  -3.107  -0.483   3.935
   14   1HG2  THR   2          1HG2      THR   2  -2.260   0.036   1.074
   15   2HG2  THR   2          2HG2      THR   2  -1.681  -1.518   0.478
   16   3HG2  THR   2          3HG2      THR   2  -0.766  -0.649   1.710
   17    H    CYS   3           H        CYS   3  -1.770  -3.286  -0.118
   18    HA   CYS   3           HA       CYS   3  -0.520  -5.620   1.218
   19   1HB   CYS   3          2HB       CYS   3  -2.245  -5.689  -1.266
   20   2HB   CYS   3          1HB       CYS   3  -1.105  -6.977  -0.880
   21    H    CYS   4           H        CYS   4   1.617  -5.073   0.940
   22    HA   CYS   4           HA       CYS   4   2.478  -3.990  -1.717
   23   1HB   CYS   4          2HB       CYS   4   3.561  -3.789   1.108
   24   2HB   CYS   4          1HB       CYS   4   4.459  -3.220  -0.300
   25    HA   PRO   5           HA       PRO   5   4.599  -7.798  -2.308
   26   1HB   PRO   5          2HB       PRO   5   6.352  -6.995  -4.246
   27   2HB   PRO   5          1HB       PRO   5   4.624  -7.260  -4.552
   28   1HG   PRO   5          2HG       PRO   5   6.108  -4.717  -4.158
   29   2HG   PRO   5          1HG       PRO   5   4.747  -5.078  -5.229
   30   1HD   PRO   5          2HD       PRO   5   4.522  -3.748  -2.837
   31   2HD   PRO   5          1HD       PRO   5   3.199  -4.648  -3.612
   32    H    SER   6           H        SER   6   6.053  -5.029  -0.949
   33    HA   SER   6           HA       SER   6   8.251  -6.664   0.142
   34   1HB   SER   6          2HB       SER   6   8.560  -4.551  -1.962
   35   2HB   SER   6          1HB       SER   6   9.832  -4.736  -0.758
   36    HG   SER   6           HG       SER   6  10.311  -6.661  -1.545
   37    H    ILE   7           H        ILE   7   9.542  -5.366   1.751
   38    HA   ILE   7           HA       ILE   7   7.875  -3.874   3.528
   39    HB   ILE   7           HB       ILE   7  10.899  -3.960   3.250
   40   1HG1  ILE   7          2HG1      ILE   7   8.994  -5.722   4.827
   41   2HG1  ILE   7          1HG1      ILE   7   9.872  -6.210   3.377
   42   1HG2  ILE   7          1HG2      ILE   7   9.785  -2.204   4.784
   43   2HG2  ILE   7          2HG2      ILE   7  11.005  -3.252   5.508
   44   3HG2  ILE   7          3HG2      ILE   7   9.293  -3.576   5.777
   45   1HD1  ILE   7          1HD1      ILE   7  12.011  -5.841   4.516
   46   2HD1  ILE   7          2HD1      ILE   7  11.019  -6.963   5.446
   47   3HD1  ILE   7          3HD1      ILE   7  11.166  -5.282   5.958
   48    H    VAL   8           H        VAL   8  10.029  -2.887   0.906
   49    HA   VAL   8           HA       VAL   8  10.027  -0.057   1.565
   50    HB   VAL   8           HB       VAL   8  10.508  -1.407  -1.108
   51   1HG1  VAL   8          1HG1      VAL   8  11.180   1.222   0.152
   52   2HG1  VAL   8          2HG1      VAL   8  10.711   0.863  -1.510
   53   3HG1  VAL   8          3HG1      VAL   8  12.350   0.513  -0.962
   54   1HG2  VAL   8          1HG2      VAL   8  11.963  -2.665   0.169
   55   2HG2  VAL   8          2HG2      VAL   8  12.077  -1.442   1.434
   56   3HG2  VAL   8          3HG2      VAL   8  12.975  -1.241  -0.071
   57    H    ALA   9           H        ALA   9   8.391  -1.949  -1.009
   58    HA   ALA   9           HA       ALA   9   6.841  -0.040  -2.256
   59   1HB   ALA   9          1HB       ALA   9   6.178  -2.012  -3.139
   60   2HB   ALA   9          2HB       ALA   9   5.123  -2.228  -1.743
   61   3HB   ALA   9          3HB       ALA   9   6.760  -2.882  -1.720
   62    H    ARG  10           H        ARG  10   6.228  -1.480   0.939
   63    HA   ARG  10           HA       ARG  10   3.722   0.004   1.305
   64   1HB   ARG  10          2HB       ARG  10   3.728  -2.086   2.312
   65   2HB   ARG  10          1HB       ARG  10   5.442  -2.014   2.685
   66   1HG   ARG  10          2HG       ARG  10   4.444   0.001   4.276
   67   2HG   ARG  10          1HG       ARG  10   3.134  -1.176   4.301
   68   1HD   ARG  10          2HD       ARG  10   5.894  -2.260   4.584
   69   2HD   ARG  10          1HD       ARG  10   5.229  -1.375   5.967
   70    HE   ARG  10           HE       ARG  10   3.502  -3.418   4.678
   71   1HH1  ARG  10          1HH2      ARG  10   5.933  -4.342   6.408
   72   2HH1  ARG  10          2HH2      ARG  10   5.125  -4.650   7.908
   73   1HH2  ARG  10          1HH1      ARG  10   2.233  -2.965   6.999
   74   2HH2  ARG  10          2HH1      ARG  10   3.029  -3.867   8.245
   75    H    SER  11           H        SER  11   7.088   0.165   2.411
   76    HA   SER  11           HA       SER  11   6.897   2.170   4.387
   77   1HB   SER  11          2HB       SER  11   8.958   1.355   2.345
   78   2HB   SER  11          1HB       SER  11   9.278   2.697   3.440
   79    HG   SER  11           HG       SER  11   9.983   0.682   4.285
   80    H    ASN  12           H        ASN  12   6.863   2.454   0.853
   81    HA   ASN  12           HA       ASN  12   7.038   5.386   0.899
   82   1HB   ASN  12          2HB       ASN  12   6.054   3.721  -1.406
   83   2HB   ASN  12          1HB       ASN  12   7.070   5.160  -1.441
   84   1HD2  ASN  12          1HD2      ASN  12   7.215   1.876  -1.914
   85   2HD2  ASN  12          2HD2      ASN  12   8.846   1.605  -1.533
   86    H    PHE  13           H        PHE  13   4.513   2.988   0.097
   87    HA   PHE  13           HA       PHE  13   2.357   4.732  -0.395
   88   1HB   PHE  13          2HB       PHE  13   1.731   2.592  -0.841
   89   2HB   PHE  13          1HB       PHE  13   2.878   1.931   0.314
   90    HD1  PHE  13           1HD      PHE  13  -0.466   3.557   0.034
   91    HD2  PHE  13           2HD      PHE  13   2.159   1.151   2.430
   92    HE1  PHE  13           1HE      PHE  13  -2.319   3.110   1.618
   93    HE2  PHE  13           2HE      PHE  13   0.304   0.701   4.013
   94    HZ   PHE  13           HZ       PHE  13  -1.936   1.684   3.608
   95    H    ASN  14           H        ASN  14   3.569   3.467   2.700
   96    HA   ASN  14           HA       ASN  14   1.446   4.699   4.268
   97   1HB   ASN  14          2HB       ASN  14   2.482   3.613   6.036
   98   2HB   ASN  14          1HB       ASN  14   3.041   2.635   4.690
   99   1HD2  ASN  14          1HD2      ASN  14   4.457   2.860   7.207
  100   2HD2  ASN  14          2HD2      ASN  14   5.945   3.614   6.894
  101    H    VAL  15           H        VAL  15   4.528   5.670   3.058
  102    HA   VAL  15           HA       VAL  15   4.857   7.965   4.844
  103    HB   VAL  15           HB       VAL  15   6.293   6.437   2.860
  104   1HG1  VAL  15          1HG1      VAL  15   6.012   8.191   1.265
  105   2HG1  VAL  15          2HG1      VAL  15   7.628   8.391   1.943
  106   3HG1  VAL  15          3HG1      VAL  15   6.310   9.433   2.480
  107   1HG2  VAL  15          1HG2      VAL  15   6.933   6.954   5.227
  108   2HG2  VAL  15          2HG2      VAL  15   7.268   8.611   4.721
  109   3HG2  VAL  15          3HG2      VAL  15   8.212   7.278   4.056
  110    H    CYS  16           H        CYS  16   3.343   7.276   1.776
  111    HA   CYS  16           HA       CYS  16   3.096  10.085   0.955
  112   1HB   CYS  16          2HB       CYS  16   3.290   8.577  -0.819
  113   2HB   CYS  16          1HB       CYS  16   2.316   7.352  -0.013
  114    H    ARG  17           H        ARG  17   1.214   7.740   2.745
  115    HA   ARG  17           HA       ARG  17  -1.253   9.367   2.632
  116   1HB   ARG  17          2HB       ARG  17  -1.386   6.932   2.440
  117   2HB   ARG  17          1HB       ARG  17  -0.472   6.735   3.934
  118   1HG   ARG  17          2HG       ARG  17  -2.253   7.694   5.242
  119   2HG   ARG  17          1HG       ARG  17  -3.132   8.173   3.789
  120   1HD   ARG  17          2HD       ARG  17  -3.258   5.711   3.167
  121   2HD   ARG  17          1HD       ARG  17  -2.635   5.352   4.790
  122    HE   ARG  17           HE       ARG  17  -5.079   7.042   4.431
  123   1HH1  ARG  17          1HH1      ARG  17  -5.415   4.012   4.487
  124   2HH1  ARG  17          2HH1      ARG  17  -5.762   3.744   6.163
  125   1HH2  ARG  17          1HH2      ARG  17  -4.653   6.870   7.169
  126   2HH2  ARG  17          2HH2      ARG  17  -5.332   5.362   7.680
  127    H    LEU  18           H        LEU  18   1.570   9.643   4.230
  128    HA   LEU  18           HA       LEU  18   0.925   9.777   6.997
  129   1HB   LEU  18          2HB       LEU  18   3.069  10.224   5.202
  130   2HB   LEU  18          1HB       LEU  18   2.899  11.698   6.148
  131    HG   LEU  18           HG       LEU  18   3.241   8.882   7.206
  132   1HD1  LEU  18          1HD1      LEU  18   4.967  11.192   7.977
  133   2HD1  LEU  18          2HD1      LEU  18   5.180  10.526   6.358
  134   3HD1  LEU  18          3HD1      LEU  18   5.391   9.493   7.773
  135   1HD2  LEU  18          1HD2      LEU  18   3.419  10.760   9.300
  136   2HD2  LEU  18          2HD2      LEU  18   2.136   9.578   9.046
  137   3HD2  LEU  18          3HD2      LEU  18   1.976  11.208   8.390
  138    HA   PRO  19           HA       PRO  19   0.026  14.391   6.173
  139   1HB   PRO  19          2HB       PRO  19  -0.461  15.180   3.602
  140   2HB   PRO  19          1HB       PRO  19   1.155  15.195   4.334
  141   1HG   PRO  19          2HG       PRO  19  -0.035  13.279   2.418
  142   2HG   PRO  19          1HG       PRO  19   1.642  13.814   2.592
  143   1HD   PRO  19          2HD       PRO  19   0.636  11.399   3.487
  144   2HD   PRO  19          1HD       PRO  19   2.135  12.158   4.064
  145    H    GLY  20           H        GLY  20  -1.674  13.188   3.281
  146   1HA   GLY  20          2HA       GLY  20  -4.091  12.545   4.742
  147   2HA   GLY  20          1HA       GLY  20  -4.214  14.111   3.938
  148    H    THR  21           H        THR  21  -2.261  11.564   2.534
  149    HA   THR  21           HA       THR  21  -3.889  11.639   0.134
  150    HB   THR  21           HB       THR  21  -1.589   9.809   0.813
  151    HG1  THR  21           1HG      THR  21  -0.370  11.585  -0.223
  152   1HG2  THR  21          1HG2      THR  21  -1.205  10.064  -1.663
  153   2HG2  THR  21          2HG2      THR  21  -2.707  10.974  -1.749
  154   3HG2  THR  21          3HG2      THR  21  -2.730   9.282  -1.251
  155    HA   PRO  22           HA       PRO  22  -6.243   8.087   1.206
  156   1HB   PRO  22          2HB       PRO  22  -7.167   7.548  -1.313
  157   2HB   PRO  22          1HB       PRO  22  -7.800   8.864  -0.308
  158   1HG   PRO  22          2HG       PRO  22  -5.885   8.971  -2.577
  159   2HG   PRO  22          1HG       PRO  22  -7.146  10.124  -2.111
  160   1HD   PRO  22          2HD       PRO  22  -4.462  10.466  -1.566
  161   2HD   PRO  22          1HD       PRO  22  -5.766  11.215  -0.638
  162    H    GLU  23           H        GLU  23  -5.221   6.222   1.584
  163    HA   GLU  23           HA       GLU  23  -2.912   5.120   0.688
  164   1HB   GLU  23          2HB       GLU  23  -4.104   2.872   1.038
  165   2HB   GLU  23          1HB       GLU  23  -4.222   4.031   2.362
  166   1HG   GLU  23          2HG       GLU  23  -6.420   4.794   1.428
  167   2HG   GLU  23          1HG       GLU  23  -6.313   3.499   0.234
  168    H    ALA  24           H        ALA  24  -5.899   5.242  -1.181
  169    HA   ALA  24           HA       ALA  24  -5.267   3.357  -3.220
  170   1HB   ALA  24          1HB       ALA  24  -7.168   4.240  -4.202
  171   2HB   ALA  24          2HB       ALA  24  -6.698   5.903  -3.852
  172   3HB   ALA  24          3HB       ALA  24  -7.374   4.892  -2.576
  173    H    LEU  25           H        LEU  25  -4.558   6.866  -2.961
  174    HA   LEU  25           HA       LEU  25  -3.193   6.992  -5.521
  175   1HB   LEU  25          2HB       LEU  25  -4.248   8.743  -3.674
  176   2HB   LEU  25          1HB       LEU  25  -2.515   8.962  -3.435
  177    HG   LEU  25           HG       LEU  25  -3.303   8.808  -6.260
  178   1HD1  LEU  25          1HD1      LEU  25  -4.737  10.570  -6.407
  179   2HD1  LEU  25          2HD1      LEU  25  -3.941  11.450  -5.102
  180   3HD1  LEU  25          3HD1      LEU  25  -5.105  10.178  -4.728
  181   1HD2  LEU  25          1HD2      LEU  25  -1.678  10.534  -6.474
  182   2HD2  LEU  25          2HD2      LEU  25  -1.063   9.497  -5.187
  183   3HD2  LEU  25          3HD2      LEU  25  -1.859  11.020  -4.788
  184    H    CYS  26           H        CYS  26  -2.148   6.559  -2.144
  185    HA   CYS  26           HA       CYS  26   0.687   6.726  -2.727
  186   1HB   CYS  26          2HB       CYS  26  -0.839   5.483  -0.414
  187   2HB   CYS  26          1HB       CYS  26   0.866   5.928  -0.401
  188    H    ALA  27           H        ALA  27  -1.691   4.204  -3.023
  189    HA   ALA  27           HA       ALA  27   0.408   2.112  -3.177
  190   1HB   ALA  27          1HB       ALA  27  -2.088   2.170  -2.064
  191   2HB   ALA  27          2HB       ALA  27  -1.270   0.684  -2.546
  192   3HB   ALA  27          3HB       ALA  27  -2.431   1.444  -3.635
  193    H    THR  28           H        THR  28  -1.523   4.101  -5.078
  194    HA   THR  28           HA       THR  28  -1.448   2.464  -7.519
  195    HB   THR  28           HB       THR  28  -2.580   5.032  -6.527
  196    HG1  THR  28           1HG      THR  28  -3.886   3.255  -6.693
  197   1HG2  THR  28          1HG2      THR  28  -1.413   5.929  -8.430
  198   2HG2  THR  28          2HG2      THR  28  -3.107   5.748  -8.886
  199   3HG2  THR  28          3HG2      THR  28  -1.915   4.574  -9.442
  200    H    TYR  29           H        TYR  29   0.377   5.001  -5.965
  201    HA   TYR  29           HA       TYR  29   1.966   5.626  -8.364
  202   1HB   TYR  29          2HB       TYR  29   1.266   6.706  -5.749
  203   2HB   TYR  29          1HB       TYR  29   2.988   6.836  -6.065
  204    HD1  TYR  29           1HD      TYR  29   3.762   7.916  -8.231
  205    HD2  TYR  29           2HD      TYR  29  -0.298   8.087  -6.853
  206    HE1  TYR  29           1HE      TYR  29   3.325   9.824  -9.759
  207    HE2  TYR  29           2HE      TYR  29  -0.740   9.994  -8.380
  208    HH   TYR  29           HH       TYR  29   0.087  11.311  -9.960
  209    H    THR  30           H        THR  30   2.391   4.201  -5.127
  210    HA   THR  30           HA       THR  30   5.190   3.505  -5.628
  211    HB   THR  30           HB       THR  30   3.870   4.129  -3.430
  212    HG1  THR  30           1HG      THR  30   5.875   2.159  -3.715
  213   1HG2  THR  30          1HG2      THR  30   2.351   2.087  -3.816
  214   2HG2  THR  30          2HG2      THR  30   3.007   2.313  -2.194
  215   3HG2  THR  30          3HG2      THR  30   3.728   1.124  -3.279
  216    H    GLY  31           H        GLY  31   2.196   2.099  -6.427
  217   1HA   GLY  31          2HA       GLY  31   2.148   0.128  -7.872
  218   2HA   GLY  31          1HA       GLY  31   3.586  -0.464  -7.042
  219    H    CYS  32           H        CYS  32   2.706  -0.025  -4.361
  220    HA   CYS  32           HA       CYS  32   1.546  -2.384  -3.571
  221   1HB   CYS  32          2HB       CYS  32   1.261   0.444  -2.552
  222   2HB   CYS  32          1HB       CYS  32   0.560  -0.916  -1.675
  223    H    ILE  33           H        ILE  33  -0.699  -2.954  -2.933
  224    HA   ILE  33           HA       ILE  33  -2.770  -1.534  -4.575
  225    HB   ILE  33           HB       ILE  33  -3.684  -3.755  -5.092
  226   1HG1  ILE  33          2HG1      ILE  33  -1.316  -5.084  -3.828
  227   2HG1  ILE  33          1HG1      ILE  33  -2.658  -4.608  -2.787
  228   1HG2  ILE  33          1HG2      ILE  33  -0.865  -3.041  -5.693
  229   2HG2  ILE  33          2HG2      ILE  33  -2.204  -3.362  -6.795
  230   3HG2  ILE  33          3HG2      ILE  33  -1.333  -4.703  -6.052
  231   1HD1  ILE  33          1HD1      ILE  33  -4.188  -6.001  -3.906
  232   2HD1  ILE  33          2HD1      ILE  33  -2.719  -6.977  -3.856
  233   3HD1  ILE  33          3HD1      ILE  33  -3.163  -6.128  -5.336
  234    H    ILE  34           H        ILE  34  -4.976  -1.741  -3.662
  235    HA   ILE  34           HA       ILE  34  -5.024  -2.535  -0.776
  236    HB   ILE  34           HB       ILE  34  -6.113   0.019  -2.003
  237   1HG1  ILE  34          2HG1      ILE  34  -3.769  -0.310  -0.113
  238   2HG1  ILE  34          1HG1      ILE  34  -3.579  -0.206  -1.862
  239   1HG2  ILE  34          1HG2      ILE  34  -7.435  -0.572  -0.099
  240   2HG2  ILE  34          2HG2      ILE  34  -6.284   0.639   0.465
  241   3HG2  ILE  34          3HG2      ILE  34  -6.013  -1.067   0.819
  242   1HD1  ILE  34          1HD1      ILE  34  -5.075   1.881  -0.267
  243   2HD1  ILE  34          2HD1      ILE  34  -4.496   1.998  -1.928
  244   3HD1  ILE  34          3HD1      ILE  34  -3.345   1.995  -0.593
  245    H    ILE  35           H        ILE  35  -6.941  -3.521  -0.158
  246    HA   ILE  35           HA       ILE  35  -9.316  -3.313  -1.929
  247    HB   ILE  35           HB       ILE  35  -9.390  -5.617  -2.407
  248   1HG1  ILE  35          2HG1      ILE  35  -8.967  -6.301  -0.006
  249   2HG1  ILE  35          1HG1      ILE  35  -8.197  -7.335  -1.206
  250   1HG2  ILE  35          1HG2      ILE  35  -6.408  -5.126  -2.273
  251   2HG2  ILE  35          2HG2      ILE  35  -7.451  -4.383  -3.485
  252   3HG2  ILE  35          3HG2      ILE  35  -7.284  -6.137  -3.421
  253   1HD1  ILE  35          1HD1      ILE  35  -6.929  -5.251   0.563
  254   2HD1  ILE  35          2HD1      ILE  35  -6.134  -5.794  -0.914
  255   3HD1  ILE  35          3HD1      ILE  35  -6.489  -6.947   0.371
  256    HA   PRO  36           HA       PRO  36 -11.142  -3.252   2.083
  257   1HB   PRO  36          2HB       PRO  36 -13.756  -3.454   1.292
  258   2HB   PRO  36          1HB       PRO  36 -12.813  -1.957   1.145
  259   1HG   PRO  36          2HG       PRO  36 -13.499  -3.973  -0.929
  260   2HG   PRO  36          1HG       PRO  36 -13.390  -2.210  -1.057
  261   1HD   PRO  36          2HD       PRO  36 -11.449  -3.925  -1.940
  262   2HD   PRO  36          1HD       PRO  36 -11.136  -2.248  -1.437
  263    H    GLY  37           H        GLY  37 -10.050  -5.605   2.045
  264   1HA   GLY  37          2HA       GLY  37 -12.044  -7.442   3.041
  265   2HA   GLY  37          1HA       GLY  37 -11.439  -7.947   1.464
  266    H    ALA  38           H        ALA  38 -10.212  -9.676   2.050
  267    HA   ALA  38           HA       ALA  38  -7.637  -9.164   3.363
  268   1HB   ALA  38          1HB       ALA  38  -8.059 -10.596   5.258
  269   2HB   ALA  38          2HB       ALA  38  -9.621 -11.087   4.602
  270   3HB   ALA  38          3HB       ALA  38  -9.384  -9.436   5.178
  271    H    THR  39           H        THR  39  -8.941 -10.331   0.862
  272    HA   THR  39           HA       THR  39  -8.068 -13.150   0.935
  273    HB   THR  39           HB       THR  39 -10.159 -11.961  -0.161
  274    HG1  THR  39           1HG      THR  39  -9.114 -13.802  -1.911
  275   1HG2  THR  39          1HG2      THR  39  -8.143 -11.910  -2.414
  276   2HG2  THR  39          2HG2      THR  39  -8.731 -10.478  -1.568
  277   3HG2  THR  39          3HG2      THR  39  -9.848 -11.464  -2.513
  278    H    CYS  40           H        CYS  40  -6.398 -10.486   0.801
  279    HA   CYS  40           HA       CYS  40  -4.876 -10.336  -1.551
  280   1HB   CYS  40          2HB       CYS  40  -4.659  -9.611   1.265
  281   2HB   CYS  40          1HB       CYS  40  -3.081  -9.990   0.575
  282    HA   PRO  41           HA       PRO  41  -2.713 -14.154  -1.754
  283   1HB   PRO  41          2HB       PRO  41  -0.484 -13.363  -3.131
  284   2HB   PRO  41          1HB       PRO  41  -2.079 -13.544  -3.891
  285   1HG   PRO  41          2HG       PRO  41  -0.688 -11.077  -2.974
  286   2HG   PRO  41          1HG       PRO  41  -1.683 -11.342  -4.415
  287   1HD   PRO  41          2HD       PRO  41  -2.595 -10.083  -2.176
  288   2HD   PRO  41          1HD       PRO  41  -3.645 -10.991  -3.287
  289    H    GLY  42           H        GLY  42  -0.113 -14.776  -1.529
  290   1HA   GLY  42          2HA       GLY  42   0.627 -13.712   1.154
  291   2HA   GLY  42          1HA       GLY  42   1.141 -15.268   0.506
  292    H    ASP  43           H        ASP  43   1.278 -12.764  -1.801
  293    HA   ASP  43           HA       ASP  43   4.238 -12.532  -1.370
  294   1HB   ASP  43          2HB       ASP  43   4.165 -12.124  -3.908
  295   2HB   ASP  43          1HB       ASP  43   3.757 -13.755  -3.375
  296    H    TYR  44           H        TYR  44   1.234 -10.853  -1.726
  297    HA   TYR  44           HA       TYR  44   2.690  -8.234  -1.876
  298   1HB   TYR  44          2HB       TYR  44  -0.148  -9.002  -2.634
  299   2HB   TYR  44          1HB       TYR  44   0.578  -7.410  -2.863
  300    HD1  TYR  44           1HD      TYR  44  -0.567  -9.378  -5.008
  301    HD2  TYR  44           2HD      TYR  44   3.393  -8.568  -3.560
  302    HE1  TYR  44           1HE      TYR  44   0.377 -10.114  -7.180
  303    HE2  TYR  44           2HE      TYR  44   4.340  -9.302  -5.730
  304    HH   TYR  44           HH       TYR  44   3.860 -10.421  -7.654
  305    H    ALA  45           H        ALA  45   1.341 -10.264   0.317
  306    HA   ALA  45           HA       ALA  45  -0.284  -8.293   1.804
  307   1HB   ALA  45          1HB       ALA  45   0.393 -10.719   3.226
  308   2HB   ALA  45          2HB       ALA  45  -0.058 -11.104   1.565
  309   3HB   ALA  45          3HB       ALA  45  -1.175 -10.212   2.598
  310    H    ASN  46           H        ASN  46   2.608  -7.745   1.369
  311    HA   ASN  46           HA       ASN  46   3.787  -8.113   4.070
  312   1HB   ASN  46          2HB       ASN  46   4.814  -8.357   1.605
  313   2HB   ASN  46          1HB       ASN  46   5.118  -6.635   1.839
  314   1HD2  ASN  46          1HD2      ASN  46   5.354  -9.579   3.930
  315   2HD2  ASN  46          2HD2      ASN  46   6.902  -9.207   4.519
  Start of MODEL   14
    1   1H    THR   1          1HT       THR   1  -8.815  -1.448   2.929
    2   2H    THR   1          2HT       THR   1  -9.115  -3.115   2.793
    3   3H    THR   1          3HT       THR   1  -8.417  -2.266   1.497
    4    HA   THR   1           HA       THR   1  -6.903  -2.011   3.933
    5    HB   THR   1           HB       THR   1  -7.607  -4.686   2.712
    6    HG1  THR   1           1HG      THR   1  -7.263  -4.157   5.429
    7   1HG2  THR   1          1HG2      THR   1  -5.150  -3.880   4.271
    8   2HG2  THR   1          2HG2      THR   1  -5.234  -4.763   2.747
    9   3HG2  THR   1          3HG2      THR   1  -5.736  -5.543   4.246
   10    H    THR   2           H        THR   2  -4.580  -2.332   3.330
   11    HA   THR   2           HA       THR   2  -4.108  -2.232   0.374
   12    HB   THR   2           HB       THR   2  -2.588  -0.475   2.272
   13    HG1  THR   2           1HG      THR   2  -5.080   0.243   1.145
   14   1HG2  THR   2          1HG2      THR   2  -1.751  -0.119   0.170
   15   2HG2  THR   2          2HG2      THR   2  -3.116   0.994   0.076
   16   3HG2  THR   2          3HG2      THR   2  -3.245  -0.621  -0.623
   17    H    CYS   3           H        CYS   3  -2.728  -3.895  -0.074
   18    HA   CYS   3           HA       CYS   3  -0.588  -4.545   1.930
   19   1HB   CYS   3          2HB       CYS   3  -2.692  -6.091   0.801
   20   2HB   CYS   3          1HB       CYS   3  -1.187  -6.691   0.102
   21    H    CYS   4           H        CYS   4   1.509  -4.475   1.128
   22    HA   CYS   4           HA       CYS   4   1.818  -3.905  -1.792
   23   1HB   CYS   4          2HB       CYS   4   3.781  -3.519   0.485
   24   2HB   CYS   4          1HB       CYS   4   3.847  -2.788  -1.118
   25    HA   PRO   5           HA       PRO   5   3.793  -7.783  -2.388
   26   1HB   PRO   5          2HB       PRO   5   5.399  -7.172  -4.514
   27   2HB   PRO   5          1HB       PRO   5   3.639  -7.354  -4.652
   28   1HG   PRO   5          2HG       PRO   5   5.277  -4.877  -4.499
   29   2HG   PRO   5          1HG       PRO   5   3.828  -5.217  -5.458
   30   1HD   PRO   5          2HD       PRO   5   3.812  -3.763  -3.145
   31   2HD   PRO   5          1HD       PRO   5   2.413  -4.677  -3.748
   32    H    SER   6           H        SER   6   5.453  -5.051  -1.276
   33    HA   SER   6           HA       SER   6   7.739  -6.735  -0.423
   34   1HB   SER   6          2HB       SER   6   9.223  -4.780  -1.321
   35   2HB   SER   6          1HB       SER   6   8.616  -5.968  -2.470
   36    HG   SER   6           HG       SER   6   7.955  -4.159  -3.394
   37    H    ILE   7           H        ILE   7   8.668  -5.948   1.500
   38    HA   ILE   7           HA       ILE   7   7.195  -4.376   3.290
   39    HB   ILE   7           HB       ILE   7  10.113  -5.053   2.939
   40   1HG1  ILE   7          2HG1      ILE   7   9.624  -6.257   5.106
   41   2HG1  ILE   7          1HG1      ILE   7   7.936  -5.790   4.914
   42   1HG2  ILE   7          1HG2      ILE   7   9.000  -2.915   4.606
   43   2HG2  ILE   7          2HG2      ILE   7  10.681  -3.270   4.212
   44   3HG2  ILE   7          3HG2      ILE   7   9.890  -4.118   5.541
   45   1HD1  ILE   7          1HD1      ILE   7   8.441  -8.085   4.033
   46   2HD1  ILE   7          2HD1      ILE   7   9.515  -7.343   2.846
   47   3HD1  ILE   7          3HD1      ILE   7   7.787  -6.994   2.813
   48    H    VAL   8           H        VAL   8   9.660  -3.371   0.946
   49    HA   VAL   8           HA       VAL   8   9.797  -0.604   1.709
   50    HB   VAL   8           HB       VAL   8  10.223  -1.953  -0.980
   51   1HG1  VAL   8          1HG1      VAL   8  10.344   0.767  -0.207
   52   2HG1  VAL   8          2HG1      VAL   8  10.913   0.059  -1.718
   53   3HG1  VAL   8          3HG1      VAL   8  12.014   0.219  -0.349
   54   1HG2  VAL   8          1HG2      VAL   8  12.423  -1.319   0.954
   55   2HG2  VAL   8          2HG2      VAL   8  12.341  -2.588  -0.268
   56   3HG2  VAL   8          3HG2      VAL   8  11.444  -2.757   1.241
   57    H    ALA   9           H        ALA   9   7.969  -2.240  -0.904
   58    HA   ALA   9           HA       ALA   9   6.592  -0.042  -1.974
   59   1HB   ALA   9          1HB       ALA   9   4.852  -1.804  -2.505
   60   2HB   ALA   9          2HB       ALA   9   5.746  -2.911  -1.464
   61   3HB   ALA   9          3HB       ALA   9   6.500  -2.272  -2.925
   62    H    ARG  10           H        ARG  10   6.250  -1.570   1.125
   63    HA   ARG  10           HA       ARG  10   3.634  -0.289   1.665
   64   1HB   ARG  10          2HB       ARG  10   3.711  -2.458   2.498
   65   2HB   ARG  10          1HB       ARG  10   5.435  -2.378   2.830
   66   1HG   ARG  10          2HG       ARG  10   4.102  -0.451   4.489
   67   2HG   ARG  10          1HG       ARG  10   3.289  -2.006   4.653
   68   1HD   ARG  10          2HD       ARG  10   6.297  -1.903   4.691
   69   2HD   ARG  10          1HD       ARG  10   5.374  -1.542   6.160
   70    HE   ARG  10           HE       ARG  10   5.124  -4.099   4.620
   71   1HH1  ARG  10          1HH2      ARG  10   3.390  -2.484   6.900
   72   2HH1  ARG  10          2HH2      ARG  10   3.546  -3.664   8.158
   73   1HH2  ARG  10          1HH1      ARG  10   5.962  -5.509   6.486
   74   2HH2  ARG  10          2HH1      ARG  10   5.007  -5.377   7.924
   75    H    SER  11           H        SER  11   7.046  -0.140   2.583
   76    HA   SER  11           HA       SER  11   6.895   1.721   4.723
   77   1HB   SER  11          2HB       SER  11   8.827   0.399   3.215
   78   2HB   SER  11          1HB       SER  11   9.133   2.097   2.864
   79    HG   SER  11           HG       SER  11  10.136   1.084   4.823
   80    H    ASN  12           H        ASN  12   7.248   2.285   1.201
   81    HA   ASN  12           HA       ASN  12   7.075   5.184   1.466
   82   1HB   ASN  12          2HB       ASN  12   6.881   4.977  -1.056
   83   2HB   ASN  12          1HB       ASN  12   8.290   4.178  -0.362
   84   1HD2  ASN  12          1HD2      ASN  12   7.720   3.121  -2.734
   85   2HD2  ASN  12          2HD2      ASN  12   6.856   1.666  -2.625
   86    H    PHE  13           H        PHE  13   4.809   2.555   0.703
   87    HA   PHE  13           HA       PHE  13   2.578   4.081  -0.163
   88   1HB   PHE  13          2HB       PHE  13   2.433   1.750  -0.386
   89   2HB   PHE  13          1HB       PHE  13   3.047   1.459   1.238
   90    HD1  PHE  13           1HD      PHE  13   0.140   3.142  -0.449
   91    HD2  PHE  13           2HD      PHE  13   1.531   0.799   2.871
   92    HE1  PHE  13           1HE      PHE  13  -2.183   2.969   0.403
   93    HE2  PHE  13           2HE      PHE  13  -0.791   0.626   3.723
   94    HZ   PHE  13           HZ       PHE  13  -2.648   1.709   2.489
   95    H    ASN  14           H        ASN  14   3.628   3.183   3.124
   96    HA   ASN  14           HA       ASN  14   1.416   4.556   4.441
   97   1HB   ASN  14          2HB       ASN  14   3.921   3.089   5.137
   98   2HB   ASN  14          1HB       ASN  14   3.291   4.199   6.356
   99   1HD2  ASN  14          1HD2      ASN  14   3.276   1.346   6.754
  100   2HD2  ASN  14          2HD2      ASN  14   1.660   0.826   6.781
  101    H    VAL  15           H        VAL  15   4.458   5.427   3.103
  102    HA   VAL  15           HA       VAL  15   4.942   7.803   4.716
  103    HB   VAL  15           HB       VAL  15   6.244   6.129   2.847
  104   1HG1  VAL  15          1HG1      VAL  15   5.360   7.865   1.151
  105   2HG1  VAL  15          2HG1      VAL  15   7.085   7.507   1.122
  106   3HG1  VAL  15          3HG1      VAL  15   6.504   8.981   1.897
  107   1HG2  VAL  15          1HG2      VAL  15   7.210   8.695   4.122
  108   2HG2  VAL  15          2HG2      VAL  15   8.219   7.367   3.547
  109   3HG2  VAL  15          3HG2      VAL  15   7.145   7.127   4.925
  110    H    CYS  16           H        CYS  16   3.067   7.014   1.899
  111    HA   CYS  16           HA       CYS  16   2.763   9.846   1.084
  112   1HB   CYS  16          2HB       CYS  16   3.042   8.328  -0.704
  113   2HB   CYS  16          1HB       CYS  16   1.985   7.127   0.036
  114    H    ARG  17           H        ARG  17   1.064   7.414   2.933
  115    HA   ARG  17           HA       ARG  17  -1.524   8.835   2.767
  116   1HB   ARG  17          2HB       ARG  17  -1.413   6.383   2.743
  117   2HB   ARG  17          1HB       ARG  17  -0.543   6.390   4.277
  118   1HG   ARG  17          2HG       ARG  17  -2.456   6.602   5.456
  119   2HG   ARG  17          1HG       ARG  17  -3.009   7.933   4.438
  120   1HD   ARG  17          2HD       ARG  17  -3.742   6.294   2.717
  121   2HD   ARG  17          1HD       ARG  17  -3.254   4.974   3.796
  122    HE   ARG  17           HE       ARG  17  -5.475   6.889   4.324
  123   1HH1  ARG  17          1HH1      ARG  17  -5.069   3.694   4.179
  124   2HH1  ARG  17          2HH1      ARG  17  -5.502   3.321   5.814
  125   1HH2  ARG  17          1HH2      ARG  17  -5.390   6.620   6.876
  126   2HH2  ARG  17          2HH2      ARG  17  -5.683   4.978   7.341
  127    H    LEU  18           H        LEU  18   1.253   9.496   4.328
  128    HA   LEU  18           HA       LEU  18   0.325   9.853   7.064
  129   1HB   LEU  18          2HB       LEU  18   2.725   9.814   5.547
  130   2HB   LEU  18          1HB       LEU  18   2.650  11.378   6.353
  131    HG   LEU  18           HG       LEU  18   2.429   8.650   7.641
  132   1HD1  LEU  18          1HD1      LEU  18   4.696   9.807   6.984
  133   2HD1  LEU  18          2HD1      LEU  18   4.521   9.090   8.585
  134   3HD1  LEU  18          3HD1      LEU  18   4.359  10.833   8.379
  135   1HD2  LEU  18          1HD2      LEU  18   1.343   9.605   9.373
  136   2HD2  LEU  18          2HD2      LEU  18   1.207  11.088   8.427
  137   3HD2  LEU  18          3HD2      LEU  18   2.586  10.850   9.499
  138    HA   PRO  19           HA       PRO  19   0.295  14.431   5.651
  139   1HB   PRO  19          2HB       PRO  19   0.042  14.931   2.972
  140   2HB   PRO  19          1HB       PRO  19   1.610  14.796   3.794
  141   1HG   PRO  19          2HG       PRO  19   0.184  12.815   2.105
  142   2HG   PRO  19          1HG       PRO  19   1.917  13.144   2.246
  143   1HD   PRO  19          2HD       PRO  19   0.641  11.031   3.429
  144   2HD   PRO  19          1HD       PRO  19   2.168  11.723   4.012
  145    H    GLY  20           H        GLY  20  -1.641  11.940   4.215
  146   1HA   GLY  20          2HA       GLY  20  -4.069  12.185   5.008
  147   2HA   GLY  20          1HA       GLY  20  -4.003  13.776   4.252
  148    H    THR  21           H        THR  21  -2.260  11.291   2.617
  149    HA   THR  21           HA       THR  21  -4.024  11.475   0.332
  150    HB   THR  21           HB       THR  21  -1.676   9.643   0.808
  151    HG1  THR  21           1HG      THR  21  -0.386  11.358   0.112
  152   1HG2  THR  21          1HG2      THR  21  -2.899   9.220  -1.233
  153   2HG2  THR  21          2HG2      THR  21  -1.385  10.019  -1.654
  154   3HG2  THR  21          3HG2      THR  21  -2.889  10.935  -1.644
  155    HA   PRO  22           HA       PRO  22  -6.281   7.844   1.331
  156   1HB   PRO  22          2HB       PRO  22  -7.232   7.338  -1.189
  157   2HB   PRO  22          1HB       PRO  22  -7.878   8.613  -0.143
  158   1HG   PRO  22          2HG       PRO  22  -5.999   8.820  -2.437
  159   2HG   PRO  22          1HG       PRO  22  -7.283   9.929  -1.927
  160   1HD   PRO  22          2HD       PRO  22  -4.612  10.337  -1.412
  161   2HD   PRO  22          1HD       PRO  22  -5.916  11.012  -0.436
  162    H    GLU  23           H        GLU  23  -5.233   5.986   1.658
  163    HA   GLU  23           HA       GLU  23  -2.896   4.975   0.692
  164   1HB   GLU  23          2HB       GLU  23  -3.849   2.735   1.218
  165   2HB   GLU  23          1HB       GLU  23  -4.295   3.941   2.427
  166   1HG   GLU  23          2HG       GLU  23  -6.453   4.293   1.205
  167   2HG   GLU  23          1HG       GLU  23  -6.014   2.965   0.129
  168    H    ALA  24           H        ALA  24  -5.918   5.072  -1.106
  169    HA   ALA  24           HA       ALA  24  -5.281   3.159  -3.137
  170   1HB   ALA  24          1HB       ALA  24  -6.856   5.316  -4.156
  171   2HB   ALA  24          2HB       ALA  24  -7.296   5.082  -2.465
  172   3HB   ALA  24          3HB       ALA  24  -7.415   3.738  -3.600
  173    H    LEU  25           H        LEU  25  -4.732   6.701  -2.929
  174    HA   LEU  25           HA       LEU  25  -3.460   6.826  -5.545
  175   1HB   LEU  25          2HB       LEU  25  -4.514   8.538  -3.561
  176   2HB   LEU  25          1HB       LEU  25  -2.814   8.972  -3.720
  177    HG   LEU  25           HG       LEU  25  -3.727   8.563  -6.347
  178   1HD1  LEU  25          1HD1      LEU  25  -6.036   8.697  -5.570
  179   2HD1  LEU  25          2HD1      LEU  25  -5.637  10.174  -6.447
  180   3HD1  LEU  25          3HD1      LEU  25  -5.683  10.181  -4.684
  181   1HD2  LEU  25          1HD2      LEU  25  -3.048  10.957  -4.644
  182   2HD2  LEU  25          2HD2      LEU  25  -3.546  11.167  -6.323
  183   3HD2  LEU  25          3HD2      LEU  25  -2.105  10.223  -5.941
  184    H    CYS  26           H        CYS  26  -2.409   6.077  -2.306
  185    HA   CYS  26           HA       CYS  26   0.432   6.634  -2.871
  186   1HB   CYS  26          2HB       CYS  26  -0.990   5.303  -0.543
  187   2HB   CYS  26          1HB       CYS  26   0.693   5.830  -0.550
  188    H    ALA  27           H        ALA  27  -1.755   4.053  -3.390
  189    HA   ALA  27           HA       ALA  27   0.411   2.026  -3.341
  190   1HB   ALA  27          1HB       ALA  27  -1.358   0.918  -2.415
  191   2HB   ALA  27          2HB       ALA  27  -1.947   0.778  -4.071
  192   3HB   ALA  27          3HB       ALA  27  -2.508   2.099  -3.045
  193    H    THR  28           H        THR  28  -1.426   3.969  -5.381
  194    HA   THR  28           HA       THR  28  -0.878   2.409  -7.832
  195    HB   THR  28           HB       THR  28  -2.461   4.833  -7.010
  196    HG1  THR  28           1HG      THR  28  -2.880   2.292  -8.049
  197   1HG2  THR  28          1HG2      THR  28  -1.589   5.761  -8.953
  198   2HG2  THR  28          2HG2      THR  28  -3.016   4.926  -9.569
  199   3HG2  THR  28          3HG2      THR  28  -1.421   4.194  -9.746
  200    H    TYR  29           H        TYR  29   0.352   5.088  -5.990
  201    HA   TYR  29           HA       TYR  29   2.062   6.038  -8.234
  202   1HB   TYR  29          2HB       TYR  29   0.914   7.720  -6.934
  203   2HB   TYR  29          1HB       TYR  29   1.449   6.994  -5.421
  204    HD1  TYR  29           1HD      TYR  29   3.469   7.486  -8.507
  205    HD2  TYR  29           2HD      TYR  29   2.736   8.758  -4.472
  206    HE1  TYR  29           1HE      TYR  29   5.529   8.865  -8.570
  207    HE2  TYR  29           2HE      TYR  29   4.796  10.139  -4.533
  208    HH   TYR  29           HH       TYR  29   6.414  10.904  -7.378
  209    H    THR  30           H        THR  30   2.158   4.281  -5.206
  210    HA   THR  30           HA       THR  30   5.128   4.202  -5.276
  211    HB   THR  30           HB       THR  30   3.427   4.678  -3.264
  212    HG1  THR  30           1HG      THR  30   5.747   4.658  -3.250
  213   1HG2  THR  30          1HG2      THR  30   3.930   1.704  -3.063
  214   2HG2  THR  30          2HG2      THR  30   2.380   2.419  -3.505
  215   3HG2  THR  30          3HG2      THR  30   3.064   2.712  -1.905
  216    H    GLY  31           H        GLY  31   2.404   2.319  -6.205
  217   1HA   GLY  31          2HA       GLY  31   2.901   0.349  -7.628
  218   2HA   GLY  31          1HA       GLY  31   4.213  -0.043  -6.522
  219    H    CYS  32           H        CYS  32   2.727   0.364  -4.070
  220    HA   CYS  32           HA       CYS  32   1.720  -2.170  -3.521
  221   1HB   CYS  32          2HB       CYS  32   2.154  -0.079  -2.041
  222   2HB   CYS  32          1HB       CYS  32   0.473   0.332  -2.383
  223    H    ILE  33           H        ILE  33  -0.739  -2.576  -2.917
  224    HA   ILE  33           HA       ILE  33  -2.522  -1.462  -5.046
  225    HB   ILE  33           HB       ILE  33  -3.180  -3.699  -5.662
  226   1HG1  ILE  33          2HG1      ILE  33  -1.341  -4.720  -3.477
  227   2HG1  ILE  33          1HG1      ILE  33  -3.087  -4.559  -3.282
  228   1HG2  ILE  33          1HG2      ILE  33  -1.117  -4.573  -6.538
  229   2HG2  ILE  33          2HG2      ILE  33  -0.179  -3.786  -5.269
  230   3HG2  ILE  33          3HG2      ILE  33  -0.961  -2.816  -6.516
  231   1HD1  ILE  33          1HD1      ILE  33  -1.560  -6.400  -5.112
  232   2HD1  ILE  33          2HD1      ILE  33  -3.230  -5.960  -5.473
  233   3HD1  ILE  33          3HD1      ILE  33  -2.843  -6.795  -3.968
  234    H    ILE  34           H        ILE  34  -4.796  -1.605  -4.498
  235    HA   ILE  34           HA       ILE  34  -5.282  -1.829  -1.559
  236    HB   ILE  34           HB       ILE  34  -7.060  -0.674  -3.721
  237   1HG1  ILE  34          2HG1      ILE  34  -4.745   0.331  -3.732
  238   2HG1  ILE  34          1HG1      ILE  34  -6.025   1.472  -3.325
  239   1HG2  ILE  34          1HG2      ILE  34  -8.141  -1.047  -1.563
  240   2HG2  ILE  34          2HG2      ILE  34  -7.888   0.684  -1.793
  241   3HG2  ILE  34          3HG2      ILE  34  -6.818  -0.229  -0.730
  242   1HD1  ILE  34          1HD1      ILE  34  -5.103   1.872  -1.312
  243   2HD1  ILE  34          2HD1      ILE  34  -3.734   0.869  -1.791
  244   3HD1  ILE  34          3HD1      ILE  34  -5.097   0.149  -0.933
  245    H    ILE  35           H        ILE  35  -7.506  -2.744  -0.998
  246    HA   ILE  35           HA       ILE  35  -8.668  -4.639  -2.940
  247    HB   ILE  35           HB       ILE  35  -8.181  -6.558  -1.348
  248   1HG1  ILE  35          2HG1      ILE  35  -6.172  -4.605  -0.190
  249   2HG1  ILE  35          1HG1      ILE  35  -7.700  -5.008   0.595
  250   1HG2  ILE  35          1HG2      ILE  35  -5.976  -6.931  -2.217
  251   2HG2  ILE  35          2HG2      ILE  35  -5.678  -5.201  -2.374
  252   3HG2  ILE  35          3HG2      ILE  35  -6.838  -5.995  -3.438
  253   1HD1  ILE  35          1HD1      ILE  35  -7.037  -7.414   0.563
  254   2HD1  ILE  35          2HD1      ILE  35  -5.932  -6.420   1.511
  255   3HD1  ILE  35          3HD1      ILE  35  -5.475  -6.946  -0.109
  256    HA   PRO  36           HA       PRO  36 -12.143  -3.669  -0.405
  257   1HB   PRO  36          2HB       PRO  36 -13.838  -5.627  -1.294
  258   2HB   PRO  36          1HB       PRO  36 -13.446  -4.184  -2.249
  259   1HG   PRO  36          2HG       PRO  36 -12.381  -6.951  -2.480
  260   2HG   PRO  36          1HG       PRO  36 -12.772  -5.780  -3.750
  261   1HD   PRO  36          2HD       PRO  36 -10.229  -6.295  -2.891
  262   2HD   PRO  36          1HD       PRO  36 -10.738  -4.749  -3.605
  263    H    GLY  37           H        GLY  37 -10.440  -6.668  -0.342
  264   1HA   GLY  37          2HA       GLY  37 -11.938  -7.619   2.042
  265   2HA   GLY  37          1HA       GLY  37 -10.771  -8.567   1.122
  266    H    ALA  38           H        ALA  38  -9.325  -9.044   2.744
  267    HA   ALA  38           HA       ALA  38  -7.407  -7.018   3.517
  268   1HB   ALA  38          1HB       ALA  38  -9.327  -8.005   5.639
  269   2HB   ALA  38          2HB       ALA  38  -9.440  -6.428   4.856
  270   3HB   ALA  38          3HB       ALA  38  -8.039  -6.821   5.854
  271    H    THR  39           H        THR  39  -7.752  -9.936   2.647
  272    HA   THR  39           HA       THR  39  -6.416 -11.365   4.852
  273    HB   THR  39           HB       THR  39  -8.359 -12.261   3.483
  274    HG1  THR  39           1HG      THR  39  -7.354 -13.848   4.500
  275   1HG2  THR  39          1HG2      THR  39  -6.189 -12.649   1.416
  276   2HG2  THR  39          2HG2      THR  39  -7.397 -11.366   1.334
  277   3HG2  THR  39          3HG2      THR  39  -7.900 -13.055   1.261
  278    H    CYS  40           H        CYS  40  -5.658  -9.740   2.016
  279    HA   CYS  40           HA       CYS  40  -3.660  -9.444   0.791
  280   1HB   CYS  40          2HB       CYS  40  -2.813 -10.241   3.576
  281   2HB   CYS  40          1HB       CYS  40  -1.629  -9.805   2.345
  282    HA   PRO  41           HA       PRO  41  -3.026 -13.608  -0.700
  283   1HB   PRO  41          2HB       PRO  41  -1.633 -12.893  -2.948
  284   2HB   PRO  41          1HB       PRO  41  -3.400 -12.786  -2.827
  285   1HG   PRO  41          2HG       PRO  41  -1.351 -10.643  -2.564
  286   2HG   PRO  41          1HG       PRO  41  -2.946 -10.593  -3.331
  287   1HD   PRO  41          2HD       PRO  41  -2.439  -9.561  -0.861
  288   2HD   PRO  41          1HD       PRO  41  -4.029 -10.182  -1.355
  289    H    GLY  42           H        GLY  42  -0.770 -14.528  -1.869
  290   1HA   GLY  42          2HA       GLY  42   1.236 -14.231   0.270
  291   2HA   GLY  42          1HA       GLY  42   1.271 -15.430  -1.023
  292    H    ASP  43           H        ASP  43   0.641 -12.896  -2.817
  293    HA   ASP  43           HA       ASP  43   3.520 -12.323  -3.317
  294   1HB   ASP  43          2HB       ASP  43   1.126 -12.732  -4.851
  295   2HB   ASP  43          1HB       ASP  43   1.771 -11.132  -5.226
  296    H    TYR  44           H        TYR  44   0.666 -10.849  -2.022
  297    HA   TYR  44           HA       TYR  44   2.005  -8.165  -2.100
  298   1HB   TYR  44          2HB       TYR  44  -0.942  -8.829  -1.852
  299   2HB   TYR  44          1HB       TYR  44  -0.234  -7.244  -2.168
  300    HD1  TYR  44           1HD      TYR  44  -2.266  -8.945  -3.877
  301    HD2  TYR  44           2HD      TYR  44   1.974  -8.297  -4.062
  302    HE1  TYR  44           1HE      TYR  44  -2.303  -9.413  -6.311
  303    HE2  TYR  44           2HE      TYR  44   1.940  -8.766  -6.498
  304    HH   TYR  44           HH       TYR  44   0.692  -9.296  -8.249
  305    H    ALA  45           H        ALA  45   1.945 -10.571  -0.080
  306    HA   ALA  45           HA       ALA  45   0.719  -9.308   2.294
  307   1HB   ALA  45          1HB       ALA  45   2.163 -11.559   3.065
  308   2HB   ALA  45          2HB       ALA  45   1.691 -11.926   1.406
  309   3HB   ALA  45          3HB       ALA  45   0.461 -11.542   2.609
  310    H    ASN  46           H        ASN  46   3.023  -7.978   0.955
  311    HA   ASN  46           HA       ASN  46   5.030  -8.143   3.182
  312   1HB   ASN  46          2HB       ASN  46   5.201  -8.265   0.278
  313   2HB   ASN  46          1HB       ASN  46   6.211  -6.970   0.922
  314   1HD2  ASN  46          1HD2      ASN  46   5.446  -9.974   2.684
  315   2HD2  ASN  46          2HD2      ASN  46   7.035 -10.571   2.689
  Start of MODEL   15
    1   1H    THR   1          1HT       THR   1  -7.814  -3.478   5.149
    2   2H    THR   1          2HT       THR   1  -6.719  -2.334   4.533
    3   3H    THR   1          3HT       THR   1  -6.388  -3.128   5.998
    4    HA   THR   1           HA       THR   1  -5.576  -4.961   4.992
    5    HB   THR   1           HB       THR   1  -7.524  -4.533   2.720
    6    HG1  THR   1           1HG      THR   1  -9.081  -4.922   4.047
    7   1HG2  THR   1          1HG2      THR   1  -6.263  -6.976   3.997
    8   2HG2  THR   1          2HG2      THR   1  -5.885  -6.309   2.408
    9   3HG2  THR   1          3HG2      THR   1  -7.466  -7.029   2.709
   10    H    THR   2           H        THR   2  -3.548  -4.471   4.242
   11    HA   THR   2           HA       THR   2  -3.332  -2.862   1.717
   12    HB   THR   2           HB       THR   2  -1.804  -2.784   4.322
   13    HG1  THR   2           1HG      THR   2  -2.233  -0.473   3.830
   14   1HG2  THR   2          1HG2      THR   2   0.055  -2.626   2.992
   15   2HG2  THR   2          2HG2      THR   2  -0.501  -0.960   2.822
   16   3HG2  THR   2          3HG2      THR   2  -0.876  -2.147   1.572
   17    H    CYS   3           H        CYS   3  -2.158  -3.894   0.123
   18    HA   CYS   3           HA       CYS   3  -0.499  -6.260   0.944
   19   1HB   CYS   3          2HB       CYS   3  -1.839  -5.790  -1.726
   20   2HB   CYS   3          1HB       CYS   3  -1.216  -7.303  -1.082
   21    H    CYS   4           H        CYS   4   1.662  -5.967   0.551
   22    HA   CYS   4           HA       CYS   4   2.478  -4.304  -1.798
   23   1HB   CYS   4          2HB       CYS   4   3.446  -4.191   1.075
   24   2HB   CYS   4          1HB       CYS   4   4.266  -3.381  -0.260
   25    HA   PRO   5           HA       PRO   5   5.124  -7.731  -2.581
   26   1HB   PRO   5          2HB       PRO   5   7.153  -6.478  -3.935
   27   2HB   PRO   5          1HB       PRO   5   5.559  -6.799  -4.649
   28   1HG   PRO   5          2HG       PRO   5   6.627  -4.280  -3.463
   29   2HG   PRO   5          1HG       PRO   5   5.642  -4.514  -4.917
   30   1HD   PRO   5          2HD       PRO   5   4.592  -3.672  -2.570
   31   2HD   PRO   5          1HD       PRO   5   3.677  -4.661  -3.728
   32    H    SER   6           H        SER   6   5.995  -5.131  -0.558
   33    HA   SER   6           HA       SER   6   7.831  -6.739   0.989
   34   1HB   SER   6          2HB       SER   6   8.844  -4.853  -1.107
   35   2HB   SER   6          1HB       SER   6   9.755  -5.003   0.392
   36    HG   SER   6           HG       SER   6  10.490  -6.804  -0.378
   37    H    ILE   7           H        ILE   7   8.652  -5.499   2.861
   38    HA   ILE   7           HA       ILE   7   6.820  -3.764   4.085
   39    HB   ILE   7           HB       ILE   7   9.812  -4.151   4.328
   40   1HG1  ILE   7          2HG1      ILE   7   7.881  -4.852   6.466
   41   2HG1  ILE   7          1HG1      ILE   7   7.762  -5.801   4.986
   42   1HG2  ILE   7          1HG2      ILE   7   7.962  -2.492   6.067
   43   2HG2  ILE   7          2HG2      ILE   7   9.355  -1.911   5.157
   44   3HG2  ILE   7          3HG2      ILE   7   9.588  -2.982   6.538
   45   1HD1  ILE   7          1HD1      ILE   7   9.344  -6.776   6.684
   46   2HD1  ILE   7          2HD1      ILE   7  10.351  -5.341   6.493
   47   3HD1  ILE   7          3HD1      ILE   7  10.098  -6.429   5.128
   48    H    VAL   8           H        VAL   8   9.664  -2.963   2.116
   49    HA   VAL   8           HA       VAL   8   9.641  -0.144   2.361
   50    HB   VAL   8           HB       VAL   8  10.315  -1.973   0.034
   51   1HG1  VAL   8          1HG1      VAL   8  10.317   0.927   0.278
   52   2HG1  VAL   8          2HG1      VAL   8  10.616  -0.074  -1.144
   53   3HG1  VAL   8          3HG1      VAL   8  11.938   0.306  -0.041
   54   1HG2  VAL   8          1HG2      VAL   8  12.355  -2.296   1.027
   55   2HG2  VAL   8          2HG2      VAL   8  11.449  -1.941   2.497
   56   3HG2  VAL   8          3HG2      VAL   8  12.391  -0.672   1.715
   57    H    ALA   9           H        ALA   9   8.180  -2.072  -0.296
   58    HA   ALA   9           HA       ALA   9   6.815  -0.078  -1.673
   59   1HB   ALA   9          1HB       ALA   9   6.367  -2.071  -2.680
   60   2HB   ALA   9          2HB       ALA   9   5.022  -2.204  -1.547
   61   3HB   ALA   9          3HB       ALA   9   6.570  -2.958  -1.169
   62    H    ARG  10           H        ARG  10   5.653  -1.865   1.190
   63    HA   ARG  10           HA       ARG  10   3.181  -0.415   1.454
   64   1HB   ARG  10          2HB       ARG  10   3.125  -2.426   2.549
   65   2HB   ARG  10          1HB       ARG  10   4.855  -2.421   2.844
   66   1HG   ARG  10          2HG       ARG  10   4.039  -0.431   4.544
   67   2HG   ARG  10          1HG       ARG  10   2.646  -1.507   4.577
   68   1HD   ARG  10          2HD       ARG  10   5.374  -2.728   4.771
   69   2HD   ARG  10          1HD       ARG  10   4.693  -1.934   6.200
   70    HE   ARG  10           HE       ARG  10   3.592  -4.332   4.874
   71   1HH1  ARG  10          1HH2      ARG  10   3.992  -2.945   7.820
   72   2HH1  ARG  10          2HH2      ARG  10   2.366  -3.158   8.378
   73   1HH2  ARG  10          1HH1      ARG  10   1.139  -4.094   5.274
   74   2HH2  ARG  10          2HH1      ARG  10   0.751  -3.810   6.938
   75    H    SER  11           H        SER  11   6.415  -0.083   2.888
   76    HA   SER  11           HA       SER  11   5.977   1.907   4.809
   77   1HB   SER  11          2HB       SER  11   8.122   0.713   3.395
   78   2HB   SER  11          1HB       SER  11   8.348   2.454   3.248
   79    HG   SER  11           HG       SER  11   8.961   0.998   5.292
   80    H    ASN  12           H        ASN  12   6.751   2.438   1.342
   81    HA   ASN  12           HA       ASN  12   6.478   5.278   1.357
   82   1HB   ASN  12          2HB       ASN  12   5.702   3.470  -0.940
   83   2HB   ASN  12          1HB       ASN  12   6.485   5.047  -1.012
   84   1HD2  ASN  12          1HD2      ASN  12   7.361   2.253  -1.980
   85   2HD2  ASN  12          2HD2      ASN  12   8.917   2.065  -1.333
   86    H    PHE  13           H        PHE  13   4.112   2.823   0.266
   87    HA   PHE  13           HA       PHE  13   1.892   4.420  -0.240
   88   1HB   PHE  13          2HB       PHE  13   1.790   2.104  -0.685
   89   2HB   PHE  13          1HB       PHE  13   2.315   1.677   0.940
   90    HD1  PHE  13           1HD      PHE  13  -0.211   4.293   0.377
   91    HD2  PHE  13           2HD      PHE  13   0.439   0.149   1.299
   92    HE1  PHE  13           1HE      PHE  13  -2.570   4.078   1.099
   93    HE2  PHE  13           2HE      PHE  13  -1.926  -0.062   2.014
   94    HZ   PHE  13           HZ       PHE  13  -3.431   1.904   1.914
   95    H    ASN  14           H        ASN  14   3.091   3.310   2.920
   96    HA   ASN  14           HA       ASN  14   0.860   4.549   4.381
   97   1HB   ASN  14          2HB       ASN  14   3.452   3.160   5.101
   98   2HB   ASN  14          1HB       ASN  14   2.372   3.824   6.327
   99   1HD2  ASN  14          1HD2      ASN  14   2.956   1.081   4.349
  100   2HD2  ASN  14          2HD2      ASN  14   1.489   0.277   4.637
  101    H    VAL  15           H        VAL  15   4.033   5.443   3.285
  102    HA   VAL  15           HA       VAL  15   4.281   7.707   5.161
  103    HB   VAL  15           HB       VAL  15   5.922   6.079   3.425
  104   1HG1  VAL  15          1HG1      VAL  15   7.478   7.943   2.704
  105   2HG1  VAL  15          2HG1      VAL  15   6.170   9.072   3.056
  106   3HG1  VAL  15          3HG1      VAL  15   5.965   7.848   1.803
  107   1HG2  VAL  15          1HG2      VAL  15   6.631   8.211   5.452
  108   2HG2  VAL  15          2HG2      VAL  15   7.691   6.920   4.885
  109   3HG2  VAL  15          3HG2      VAL  15   6.257   6.530   5.835
  110    H    CYS  16           H        CYS  16   3.046   7.054   1.999
  111    HA   CYS  16           HA       CYS  16   3.171   9.848   1.080
  112   1HB   CYS  16          2HB       CYS  16   3.433   8.267  -0.625
  113   2HB   CYS  16          1HB       CYS  16   2.228   7.182   0.063
  114    H    ARG  17           H        ARG  17   0.792   7.648   2.510
  115    HA   ARG  17           HA       ARG  17  -1.417   9.573   2.161
  116   1HB   ARG  17          2HB       ARG  17  -2.008   7.290   1.906
  117   2HB   ARG  17          1HB       ARG  17  -1.033   6.799   3.292
  118   1HG   ARG  17          2HG       ARG  17  -2.576   7.737   4.842
  119   2HG   ARG  17          1HG       ARG  17  -3.416   8.634   3.576
  120   1HD   ARG  17          2HD       ARG  17  -3.892   6.277   2.547
  121   2HD   ARG  17          1HD       ARG  17  -3.525   5.686   4.180
  122    HE   ARG  17           HE       ARG  17  -5.783   7.461   3.455
  123   1HH1  ARG  17          1HH1      ARG  17  -4.066   8.045   6.034
  124   2HH1  ARG  17          2HH1      ARG  17  -5.102   7.334   7.227
  125   1HH2  ARG  17          1HH2      ARG  17  -7.035   5.625   4.911
  126   2HH2  ARG  17          2HH2      ARG  17  -6.782   5.965   6.590
  127    H    LEU  18           H        LEU  18   1.185   9.544   4.100
  128    HA   LEU  18           HA       LEU  18   0.215   9.719   6.769
  129   1HB   LEU  18          2HB       LEU  18   2.602   9.972   5.253
  130   2HB   LEU  18          1HB       LEU  18   2.464  11.427   6.233
  131    HG   LEU  18           HG       LEU  18   2.364   8.564   7.212
  132   1HD1  LEU  18          1HD1      LEU  18   4.498  10.387   6.791
  133   2HD1  LEU  18          2HD1      LEU  18   4.563   8.826   7.608
  134   3HD1  LEU  18          3HD1      LEU  18   4.250  10.294   8.534
  135   1HD2  LEU  18          1HD2      LEU  18   1.602  11.171   8.473
  136   2HD2  LEU  18          2HD2      LEU  18   2.415   9.971   9.477
  137   3HD2  LEU  18          3HD2      LEU  18   0.890   9.573   8.688
  138    HA   PRO  19           HA       PRO  19  -0.047  14.422   5.957
  139   1HB   PRO  19          2HB       PRO  19  -0.065  15.289   3.366
  140   2HB   PRO  19          1HB       PRO  19   1.418  15.112   4.322
  141   1HG   PRO  19          2HG       PRO  19   0.302  13.342   2.222
  142   2HG   PRO  19          1HG       PRO  19   1.987  13.710   2.615
  143   1HD   PRO  19          2HD       PRO  19   0.680  11.399   3.332
  144   2HD   PRO  19          1HD       PRO  19   2.119  12.037   4.152
  145    H    GLY  20           H        GLY  20  -1.446  13.407   2.829
  146   1HA   GLY  20          2HA       GLY  20  -4.101  13.097   3.958
  147   2HA   GLY  20          1HA       GLY  20  -3.917  14.637   3.118
  148    H    THR  21           H        THR  21  -2.105  11.873   1.979
  149    HA   THR  21           HA       THR  21  -3.467  12.041  -0.581
  150    HB   THR  21           HB       THR  21  -1.425  10.027   0.355
  151    HG1  THR  21           1HG      THR  21  -1.142  12.724  -0.437
  152   1HG2  THR  21          1HG2      THR  21  -2.153  11.220  -2.331
  153   2HG2  THR  21          2HG2      THR  21  -2.406   9.555  -1.808
  154   3HG2  THR  21          3HG2      THR  21  -0.772  10.161  -2.066
  155    HA   PRO  22           HA       PRO  22  -6.245   8.750   0.297
  156   1HB   PRO  22          2HB       PRO  22  -6.944   8.221  -2.294
  157   2HB   PRO  22          1HB       PRO  22  -7.550   9.621  -1.392
  158   1HG   PRO  22          2HG       PRO  22  -5.404   9.478  -3.444
  159   2HG   PRO  22          1HG       PRO  22  -6.591  10.757  -3.140
  160   1HD   PRO  22          2HD       PRO  22  -3.960  10.864  -2.316
  161   2HD   PRO  22          1HD       PRO  22  -5.275  11.758  -1.553
  162    H    GLU  23           H        GLU  23  -5.425   6.826   0.835
  163    HA   GLU  23           HA       GLU  23  -3.136   5.526   0.181
  164   1HB   GLU  23          2HB       GLU  23  -4.303   3.458   0.790
  165   2HB   GLU  23          1HB       GLU  23  -4.920   4.787   1.771
  166   1HG   GLU  23          2HG       GLU  23  -6.752   5.061   0.017
  167   2HG   GLU  23          1HG       GLU  23  -6.218   3.517  -0.649
  168    H    ALA  24           H        ALA  24  -5.915   5.810  -1.960
  169    HA   ALA  24           HA       ALA  24  -5.266   3.741  -3.823
  170   1HB   ALA  24          1HB       ALA  24  -6.934   6.166  -3.632
  171   2HB   ALA  24          2HB       ALA  24  -7.330   4.585  -4.305
  172   3HB   ALA  24          3HB       ALA  24  -6.450   5.762  -5.280
  173    H    LEU  25           H        LEU  25  -4.284   7.189  -3.652
  174    HA   LEU  25           HA       LEU  25  -2.726   7.122  -6.082
  175   1HB   LEU  25          2HB       LEU  25  -3.578   8.882  -3.955
  176   2HB   LEU  25          1HB       LEU  25  -1.879   9.143  -4.317
  177    HG   LEU  25           HG       LEU  25  -3.245  10.567  -5.739
  178   1HD1  LEU  25          1HD1      LEU  25  -2.175  10.081  -7.766
  179   2HD1  LEU  25          2HD1      LEU  25  -2.373   8.341  -7.559
  180   3HD1  LEU  25          3HD1      LEU  25  -1.169   9.211  -6.608
  181   1HD2  LEU  25          1HD2      LEU  25  -5.328   9.371  -5.766
  182   2HD2  LEU  25          2HD2      LEU  25  -4.568   7.950  -6.485
  183   3HD2  LEU  25          3HD2      LEU  25  -4.757   9.424  -7.434
  184    H    CYS  26           H        CYS  26  -1.946   6.838  -2.609
  185    HA   CYS  26           HA       CYS  26   0.907   6.741  -2.913
  186   1HB   CYS  26          2HB       CYS  26  -0.926   5.604  -0.778
  187   2HB   CYS  26          1HB       CYS  26   0.796   5.925  -0.587
  188    H    ALA  27           H        ALA  27  -1.579   4.295  -3.321
  189    HA   ALA  27           HA       ALA  27   0.473   2.150  -3.335
  190   1HB   ALA  27          1HB       ALA  27  -2.328   2.400  -2.697
  191   2HB   ALA  27          2HB       ALA  27  -1.259   1.029  -2.397
  192   3HB   ALA  27          3HB       ALA  27  -2.115   1.160  -3.934
  193    H    THR  28           H        THR  28  -0.988   4.279  -5.383
  194    HA   THR  28           HA       THR  28  -0.983   2.549  -7.780
  195    HB   THR  28           HB       THR  28  -1.939   5.249  -6.924
  196    HG1  THR  28           1HG      THR  28  -3.281   3.397  -7.063
  197   1HG2  THR  28          1HG2      THR  28  -2.332   5.869  -9.324
  198   2HG2  THR  28          2HG2      THR  28  -1.267   4.540  -9.787
  199   3HG2  THR  28          3HG2      THR  28  -0.635   5.893  -8.848
  200    H    TYR  29           H        TYR  29   0.951   4.934  -6.129
  201    HA   TYR  29           HA       TYR  29   2.757   5.308  -8.459
  202   1HB   TYR  29          2HB       TYR  29   2.080   7.265  -7.183
  203   2HB   TYR  29          1HB       TYR  29   2.564   6.497  -5.671
  204    HD1  TYR  29           1HD      TYR  29   4.552   6.036  -8.720
  205    HD2  TYR  29           2HD      TYR  29   4.115   8.333  -5.115
  206    HE1  TYR  29           1HE      TYR  29   6.850   6.927  -9.006
  207    HE2  TYR  29           2HE      TYR  29   6.412   9.223  -5.403
  208    HH   TYR  29           HH       TYR  29   8.531   8.036  -7.973
  209    H    THR  30           H        THR  30   2.633   3.821  -5.250
  210    HA   THR  30           HA       THR  30   5.463   2.958  -5.471
  211    HB   THR  30           HB       THR  30   4.087   3.928  -3.416
  212    HG1  THR  30           1HG      THR  30   6.315   2.809  -3.691
  213   1HG2  THR  30          1HG2      THR  30   3.056   2.318  -2.041
  214   2HG2  THR  30          2HG2      THR  30   3.749   0.974  -2.949
  215   3HG2  THR  30          3HG2      THR  30   2.462   1.947  -3.659
  216    H    GLY  31           H        GLY  31   2.356   1.806  -6.274
  217   1HA   GLY  31          2HA       GLY  31   2.098  -0.278  -7.504
  218   2HA   GLY  31          1HA       GLY  31   3.480  -0.930  -6.624
  219    H    CYS  32           H        CYS  32   2.655  -0.133  -4.000
  220    HA   CYS  32           HA       CYS  32   1.255  -2.303  -3.023
  221   1HB   CYS  32          2HB       CYS  32   1.411   0.597  -2.219
  222   2HB   CYS  32          1HB       CYS  32   0.463  -0.538  -1.257
  223    H    ILE  33           H        ILE  33  -1.059  -2.401  -2.209
  224    HA   ILE  33           HA       ILE  33  -2.998  -0.760  -3.746
  225    HB   ILE  33           HB       ILE  33  -4.014  -2.743  -4.738
  226   1HG1  ILE  33          2HG1      ILE  33  -2.310  -4.853  -4.355
  227   2HG1  ILE  33          1HG1      ILE  33  -2.261  -4.078  -2.771
  228   1HG2  ILE  33          1HG2      ILE  33  -1.009  -2.893  -5.116
  229   2HG2  ILE  33          2HG2      ILE  33  -2.031  -1.663  -5.859
  230   3HG2  ILE  33          3HG2      ILE  33  -2.251  -3.362  -6.277
  231   1HD1  ILE  33          1HD1      ILE  33  -4.135  -5.368  -2.444
  232   2HD1  ILE  33          2HD1      ILE  33  -4.537  -5.404  -4.161
  233   3HD1  ILE  33          3HD1      ILE  33  -4.913  -3.976  -3.198
  234    H    ILE  34           H        ILE  34  -5.057  -0.723  -2.755
  235    HA   ILE  34           HA       ILE  34  -5.170  -1.972  -0.038
  236    HB   ILE  34           HB       ILE  34  -6.597   0.397  -1.286
  237   1HG1  ILE  34          2HG1      ILE  34  -5.094   1.482   0.620
  238   2HG1  ILE  34          1HG1      ILE  34  -4.106   0.048   0.341
  239   1HG2  ILE  34          1HG2      ILE  34  -6.831  -1.011   1.332
  240   2HG2  ILE  34          2HG2      ILE  34  -8.058  -0.145   0.407
  241   3HG2  ILE  34          3HG2      ILE  34  -6.877   0.752   1.360
  242   1HD1  ILE  34          1HD1      ILE  34  -5.051   1.589  -2.042
  243   2HD1  ILE  34          2HD1      ILE  34  -3.561   0.674  -1.817
  244   3HD1  ILE  34          3HD1      ILE  34  -3.735   2.267  -1.083
  245    H    ILE  35           H        ILE  35  -7.041  -3.151   0.554
  246    HA   ILE  35           HA       ILE  35  -9.041  -3.651  -1.620
  247    HB   ILE  35           HB       ILE  35  -8.862  -6.028  -0.195
  248   1HG1  ILE  35          2HG1      ILE  35  -6.059  -4.929  -0.599
  249   2HG1  ILE  35          1HG1      ILE  35  -6.819  -5.257   0.960
  250   1HG2  ILE  35          1HG2      ILE  35  -8.720  -6.707  -2.327
  251   2HG2  ILE  35          2HG2      ILE  35  -7.059  -6.121  -2.420
  252   3HG2  ILE  35          3HG2      ILE  35  -8.397  -5.045  -2.823
  253   1HD1  ILE  35          1HD1      ILE  35  -7.193  -7.659  -0.160
  254   2HD1  ILE  35          2HD1      ILE  35  -5.696  -7.254   0.680
  255   3HD1  ILE  35          3HD1      ILE  35  -5.770  -7.170  -1.080
  256    HA   PRO  36           HA       PRO  36 -12.173  -3.281   1.412
  257   1HB   PRO  36          2HB       PRO  36 -13.759  -5.486   1.047
  258   2HB   PRO  36          1HB       PRO  36 -13.708  -4.127  -0.093
  259   1HG   PRO  36          2HG       PRO  36 -12.376  -6.783  -0.255
  260   2HG   PRO  36          1HG       PRO  36 -13.128  -5.816  -1.534
  261   1HD   PRO  36          2HD       PRO  36 -10.436  -5.958  -1.148
  262   2HD   PRO  36          1HD       PRO  36 -11.247  -4.547  -1.860
  263    H    GLY  37           H        GLY  37 -10.589  -6.450   1.374
  264   1HA   GLY  37          2HA       GLY  37  -9.562  -6.782   3.773
  265   2HA   GLY  37          1HA       GLY  37 -11.254  -6.827   4.250
  266    H    ALA  38           H        ALA  38  -8.903  -8.846   3.986
  267    HA   ALA  38           HA       ALA  38 -10.442 -11.202   3.650
  268   1HB   ALA  38          1HB       ALA  38 -10.697 -11.243   1.404
  269   2HB   ALA  38          2HB       ALA  38  -8.947 -11.406   1.264
  270   3HB   ALA  38          3HB       ALA  38  -9.690  -9.807   1.229
  271    H    THR  39           H        THR  39  -7.390 -10.669   2.013
  272    HA   THR  39           HA       THR  39  -5.675 -11.420   4.215
  273    HB   THR  39           HB       THR  39  -7.228 -13.404   3.350
  274    HG1  THR  39           1HG      THR  39  -5.788 -14.731   4.346
  275   1HG2  THR  39          1HG2      THR  39  -6.369 -14.677   1.613
  276   2HG2  THR  39          2HG2      THR  39  -4.744 -14.017   1.803
  277   3HG2  THR  39          3HG2      THR  39  -6.008 -13.044   1.052
  278    H    CYS  40           H        CYS  40  -5.968  -9.822   1.570
  279    HA   CYS  40           HA       CYS  40  -4.495  -8.975  -0.085
  280   1HB   CYS  40          2HB       CYS  40  -2.869  -9.965   2.210
  281   2HB   CYS  40          1HB       CYS  40  -1.998  -9.626   0.718
  282    HA   PRO  41           HA       PRO  41  -3.557 -12.309  -2.802
  283   1HB   PRO  41          2HB       PRO  41  -1.444 -11.324  -4.240
  284   2HB   PRO  41          1HB       PRO  41  -3.107 -10.737  -4.445
  285   1HG   PRO  41          2HG       PRO  41  -0.847  -9.528  -2.936
  286   2HG   PRO  41          1HG       PRO  41  -2.099  -8.745  -3.913
  287   1HD   PRO  41          2HD       PRO  41  -2.145  -8.833  -1.183
  288   2HD   PRO  41          1HD       PRO  41  -3.603  -8.707  -2.189
  289    H    GLY  42           H        GLY  42  -1.003 -13.092  -3.801
  290   1HA   GLY  42          2HA       GLY  42   0.300 -14.014  -1.272
  291   2HA   GLY  42          1HA       GLY  42   0.276 -14.951  -2.765
  292    H    ASP  43           H        ASP  43   0.817 -12.537  -4.418
  293    HA   ASP  43           HA       ASP  43   3.742 -12.609  -4.212
  294   1HB   ASP  43          2HB       ASP  43   1.633 -11.861  -6.103
  295   2HB   ASP  43          1HB       ASP  43   2.984 -10.726  -6.119
  296    H    TYR  44           H        TYR  44   1.163 -10.523  -3.173
  297    HA   TYR  44           HA       TYR  44   3.175  -8.422  -2.437
  298   1HB   TYR  44          2HB       TYR  44   0.202  -8.001  -2.768
  299   2HB   TYR  44          1HB       TYR  44   1.493  -6.807  -2.862
  300    HD1  TYR  44           1HD      TYR  44   3.442  -8.294  -4.590
  301    HD2  TYR  44           2HD      TYR  44  -0.814  -7.819  -4.907
  302    HE1  TYR  44           1HE      TYR  44   3.586  -8.636  -7.042
  303    HE2  TYR  44           2HE      TYR  44  -0.671  -8.159  -7.357
  304    HH   TYR  44           HH       TYR  44   1.617  -7.741  -9.135
  305    H    ALA  45           H        ALA  45   2.440 -10.821  -0.851
  306    HA   ALA  45           HA       ALA  45   0.678  -9.835   1.297
  307   1HB   ALA  45          1HB       ALA  45   2.416 -12.315   1.144
  308   2HB   ALA  45          2HB       ALA  45   0.806 -12.207   0.430
  309   3HB   ALA  45          3HB       ALA  45   1.009 -12.069   2.177
  310    H    ASN  46           H        ASN  46   3.279  -8.422   0.724
  311    HA   ASN  46           HA       ASN  46   4.713  -8.928   3.301
  312   1HB   ASN  46          2HB       ASN  46   5.507  -8.621   0.587
  313   2HB   ASN  46          1HB       ASN  46   6.079  -7.193   1.449
  314   1HD2  ASN  46          1HD2      ASN  46   6.444  -8.495   4.033
  315   2HD2  ASN  46          2HD2      ASN  46   7.764  -9.553   3.880
  Start of MODEL   16
    1   1H    THR   1          1HT       THR   1  -8.602  -2.461   2.205
    2   2H    THR   1          2HT       THR   1  -8.656  -1.926   3.816
    3   3H    THR   1          3HT       THR   1  -9.299  -3.442   3.401
    4    HA   THR   1           HA       THR   1  -6.807  -3.039   4.392
    5    HB   THR   1           HB       THR   1  -8.102  -5.185   2.690
    6    HG1  THR   1           1HG      THR   1  -8.767  -4.469   4.929
    7   1HG2  THR   1          1HG2      THR   1  -6.283  -6.614   3.952
    8   2HG2  THR   1          2HG2      THR   1  -5.400  -5.087   3.988
    9   3HG2  THR   1          3HG2      THR   1  -5.872  -5.798   2.444
   10    H    THR   2           H        THR   2  -4.669  -3.198   3.496
   11    HA   THR   2           HA       THR   2  -4.475  -2.732   0.540
   12    HB   THR   2           HB       THR   2  -2.542  -1.448   2.415
   13    HG1  THR   2           1HG      THR   2  -4.973  -0.160   1.930
   14   1HG2  THR   2          1HG2      THR   2  -2.268   0.034   0.682
   15   2HG2  THR   2          2HG2      THR   2  -3.970  -0.025   0.227
   16   3HG2  THR   2          3HG2      THR   2  -2.886  -1.333  -0.247
   17    H    CYS   3           H        CYS   3  -2.265  -3.310  -0.302
   18    HA   CYS   3           HA       CYS   3  -0.576  -5.000   1.427
   19   1HB   CYS   3          2HB       CYS   3  -0.956  -6.946  -0.196
   20   2HB   CYS   3          1HB       CYS   3  -2.296  -6.568   0.881
   21    H    CYS   4           H        CYS   4   1.517  -5.210   0.564
   22    HA   CYS   4           HA       CYS   4   1.973  -4.014  -2.152
   23   1HB   CYS   4          2HB       CYS   4   2.959  -3.369   0.525
   24   2HB   CYS   4          1HB       CYS   4   4.268  -3.606  -0.631
   25    HA   PRO   5           HA       PRO   5   4.117  -7.774  -2.987
   26   1HB   PRO   5          2HB       PRO   5   5.692  -6.911  -5.051
   27   2HB   PRO   5          1HB       PRO   5   3.949  -7.197  -5.221
   28   1HG   PRO   5          2HG       PRO   5   5.419  -4.635  -4.871
   29   2HG   PRO   5          1HG       PRO   5   4.006  -4.998  -5.875
   30   1HD   PRO   5          2HD       PRO   5   3.864  -3.716  -3.469
   31   2HD   PRO   5          1HD       PRO   5   2.539  -4.686  -4.150
   32    H    SER   6           H        SER   6   5.515  -5.087  -1.563
   33    HA   SER   6           HA       SER   6   7.936  -6.618  -0.841
   34   1HB   SER   6          2HB       SER   6   9.257  -4.463  -1.566
   35   2HB   SER   6          1HB       SER   6   8.808  -5.650  -2.786
   36    HG   SER   6           HG       SER   6   6.973  -3.641  -2.159
   37    H    ILE   7           H        ILE   7   9.056  -5.632   0.988
   38    HA   ILE   7           HA       ILE   7   7.364  -4.418   2.945
   39    HB   ILE   7           HB       ILE   7  10.385  -4.277   2.805
   40   1HG1  ILE   7          2HG1      ILE   7   9.585  -6.596   4.194
   41   2HG1  ILE   7          1HG1      ILE   7   8.667  -6.603   2.690
   42   1HG2  ILE   7          1HG2      ILE   7   8.300  -4.320   4.980
   43   2HG2  ILE   7          2HG2      ILE   7   9.636  -3.191   4.755
   44   3HG2  ILE   7          3HG2      ILE   7   9.953  -4.834   5.312
   45   1HD1  ILE   7          1HD1      ILE   7  10.789  -6.213   1.437
   46   2HD1  ILE   7          2HD1      ILE   7  10.803  -7.732   2.333
   47   3HD1  ILE   7          3HD1      ILE   7  11.675  -6.332   2.957
   48    H    VAL   8           H        VAL   8   9.589  -3.067   0.568
   49    HA   VAL   8           HA       VAL   8   9.615  -0.370   1.608
   50    HB   VAL   8           HB       VAL   8  10.000  -1.275  -1.256
   51   1HG1  VAL   8          1HG1      VAL   8  11.940   0.575  -0.199
   52   2HG1  VAL   8          2HG1      VAL   8  10.316   1.188   0.112
   53   3HG1  VAL   8          3HG1      VAL   8  10.815   0.805  -1.537
   54   1HG2  VAL   8          1HG2      VAL   8  11.611  -2.674  -0.522
   55   2HG2  VAL   8          2HG2      VAL   8  11.400  -2.129   1.141
   56   3HG2  VAL   8          3HG2      VAL   8  12.486  -1.257   0.058
   57    H    ALA   9           H        ALA   9   7.926  -1.760  -1.241
   58    HA   ALA   9           HA       ALA   9   6.389   0.369  -2.082
   59   1HB   ALA   9          1HB       ALA   9   6.457  -2.014  -2.933
   60   2HB   ALA   9          2HB       ALA   9   4.838  -1.316  -2.880
   61   3HB   ALA   9          3HB       ALA   9   5.352  -2.445  -1.628
   62    H    ARG  10           H        ARG  10   5.807  -1.647   0.787
   63    HA   ARG  10           HA       ARG  10   3.296  -0.296   1.455
   64   1HB   ARG  10          2HB       ARG  10   3.369  -2.517   2.125
   65   2HB   ARG  10          1HB       ARG  10   5.089  -2.463   2.478
   66   1HG   ARG  10          2HG       ARG  10   3.726  -0.677   4.273
   67   2HG   ARG  10          1HG       ARG  10   2.929  -2.249   4.307
   68   1HD   ARG  10          2HD       ARG  10   5.929  -2.171   4.351
   69   2HD   ARG  10          1HD       ARG  10   5.034  -1.842   5.843
   70    HE   ARG  10           HE       ARG  10   4.820  -4.359   4.251
   71   1HH1  ARG  10          1HH2      ARG  10   2.300  -3.694   5.710
   72   2HH1  ARG  10          2HH2      ARG  10   2.539  -4.482   7.235
   73   1HH2  ARG  10          1HH1      ARG  10   5.959  -4.865   6.800
   74   2HH2  ARG  10          2HH1      ARG  10   4.612  -5.137   7.854
   75    H    SER  11           H        SER  11   6.694  -0.181   2.416
   76    HA   SER  11           HA       SER  11   6.523   1.447   4.725
   77   1HB   SER  11          2HB       SER  11   8.501   0.882   2.558
   78   2HB   SER  11          1HB       SER  11   8.832   2.257   3.609
   79    HG   SER  11           HG       SER  11   9.606   0.719   4.847
   80    H    ASN  12           H        ASN  12   6.634   2.372   1.274
   81    HA   ASN  12           HA       ASN  12   6.544   5.236   1.805
   82   1HB   ASN  12          2HB       ASN  12   5.611   3.930  -0.740
   83   2HB   ASN  12          1HB       ASN  12   6.538   5.413  -0.538
   84   1HD2  ASN  12          1HD2      ASN  12   6.787   2.049  -1.169
   85   2HD2  ASN  12          2HD2      ASN  12   8.472   1.915  -1.032
   86    H    PHE  13           H        PHE  13   4.135   2.895   0.550
   87    HA   PHE  13           HA       PHE  13   1.860   4.449   0.325
   88   1HB   PHE  13          2HB       PHE  13   1.632   2.173  -0.171
   89   2HB   PHE  13          1HB       PHE  13   2.453   1.667   1.301
   90    HD1  PHE  13           1HD      PHE  13   0.804   0.152   2.158
   91    HD2  PHE  13           2HD      PHE  13  -0.278   4.174   1.114
   92    HE1  PHE  13           1HE      PHE  13  -1.386  -0.147   3.282
   93    HE2  PHE  13           2HE      PHE  13  -2.464   3.877   2.239
   94    HZ   PHE  13           HZ       PHE  13  -3.022   1.717   3.322
   95    H    ASN  14           H        ASN  14   3.362   3.271   3.300
   96    HA   ASN  14           HA       ASN  14   1.280   4.252   5.089
   97   1HB   ASN  14          2HB       ASN  14   4.018   3.070   5.233
   98   2HB   ASN  14          1HB       ASN  14   3.469   3.971   6.648
   99   1HD2  ASN  14          1HD2      ASN  14   3.823   0.979   6.302
  100   2HD2  ASN  14          2HD2      ASN  14   2.310   0.312   6.686
  101    H    VAL  15           H        VAL  15   4.244   5.513   3.721
  102    HA   VAL  15           HA       VAL  15   4.463   7.861   5.395
  103    HB   VAL  15           HB       VAL  15   5.791   6.482   3.241
  104   1HG1  VAL  15          1HG1      VAL  15   5.719   9.492   2.885
  105   2HG1  VAL  15          2HG1      VAL  15   4.898   8.345   1.827
  106   3HG1  VAL  15          3HG1      VAL  15   6.658   8.338   1.936
  107   1HG2  VAL  15          1HG2      VAL  15   7.335   8.630   4.318
  108   2HG2  VAL  15          2HG2      VAL  15   7.441   6.909   4.686
  109   3HG2  VAL  15          3HG2      VAL  15   6.352   7.944   5.611
  110    H    CYS  16           H        CYS  16   2.577   6.987   2.614
  111    HA   CYS  16           HA       CYS  16   1.984   9.705   1.738
  112   1HB   CYS  16          2HB       CYS  16   1.688   6.974   0.918
  113   2HB   CYS  16          1HB       CYS  16   0.124   7.770   0.815
  114    H    ARG  17           H        ARG  17   0.425   7.256   3.780
  115    HA   ARG  17           HA       ARG  17  -2.096   8.692   4.020
  116   1HB   ARG  17          2HB       ARG  17  -1.533   6.185   4.352
  117   2HB   ARG  17          1HB       ARG  17  -0.938   6.664   5.942
  118   1HG   ARG  17          2HG       ARG  17  -3.229   6.015   6.239
  119   2HG   ARG  17          1HG       ARG  17  -3.189   7.775   6.328
  120   1HD   ARG  17          2HD       ARG  17  -3.838   7.887   3.916
  121   2HD   ARG  17          1HD       ARG  17  -3.984   6.118   3.906
  122    HE   ARG  17           HE       ARG  17  -5.457   7.130   6.131
  123   1HH1  ARG  17          1HH2      ARG  17  -5.939   5.602   3.272
  124   2HH1  ARG  17          2HH2      ARG  17  -7.450   6.351   2.879
  125   1HH2  ARG  17          1HH1      ARG  17  -7.228   8.733   5.386
  126   2HH2  ARG  17          2HH1      ARG  17  -8.181   8.120   4.078
  127    H    LEU  18           H        LEU  18   1.008   9.260   5.195
  128    HA   LEU  18           HA       LEU  18   0.452  10.197   7.862
  129   1HB   LEU  18          2HB       LEU  18   2.600   9.902   5.933
  130   2HB   LEU  18          1HB       LEU  18   2.717  11.448   6.759
  131    HG   LEU  18           HG       LEU  18   2.366   8.793   8.167
  132   1HD1  LEU  18          1HD1      LEU  18   4.825  10.426   7.517
  133   2HD1  LEU  18          2HD1      LEU  18   4.537   8.716   7.200
  134   3HD1  LEU  18          3HD1      LEU  18   4.797   9.274   8.852
  135   1HD2  LEU  18          1HD2      LEU  18   3.541  10.883   9.746
  136   2HD2  LEU  18          2HD2      LEU  18   2.008  10.051  10.003
  137   3HD2  LEU  18          3HD2      LEU  18   2.066  11.503   9.004
  138    HA   PRO  19           HA       PRO  19   0.471  14.513   5.786
  139   1HB   PRO  19          2HB       PRO  19   0.552  14.620   3.052
  140   2HB   PRO  19          1HB       PRO  19   2.009  14.605   4.066
  141   1HG   PRO  19          2HG       PRO  19   0.737  12.380   2.553
  142   2HG   PRO  19          1HG       PRO  19   2.451  12.749   2.792
  143   1HD   PRO  19          2HD       PRO  19   1.127  10.814   4.177
  144   2HD   PRO  19          1HD       PRO  19   2.534  11.687   4.817
  145    H    GLY  20           H        GLY  20  -0.887  13.230   2.803
  146   1HA   GLY  20          2HA       GLY  20  -3.604  13.060   3.863
  147   2HA   GLY  20          1HA       GLY  20  -3.330  14.482   2.855
  148    H    THR  21           H        THR  21  -1.539  11.593   2.148
  149    HA   THR  21           HA       THR  21  -2.754  11.446  -0.493
  150    HB   THR  21           HB       THR  21  -0.786   9.558   0.789
  151    HG1  THR  21           1HG      THR  21   0.362  11.330   0.983
  152   1HG2  THR  21          1HG2      THR  21  -1.905  10.000  -1.873
  153   2HG2  THR  21          2HG2      THR  21  -1.023   8.610  -1.241
  154   3HG2  THR  21          3HG2      THR  21  -0.142  10.000  -1.876
  155    HA   PRO  22           HA       PRO  22  -5.602   8.325   0.862
  156   1HB   PRO  22          2HB       PRO  22  -6.697   7.912  -1.618
  157   2HB   PRO  22          1HB       PRO  22  -7.152   9.263  -0.564
  158   1HG   PRO  22          2HG       PRO  22  -5.330   9.229  -2.911
  159   2HG   PRO  22          1HG       PRO  22  -6.472  10.474  -2.392
  160   1HD   PRO  22          2HD       PRO  22  -3.767  10.636  -1.942
  161   2HD   PRO  22          1HD       PRO  22  -4.985  11.407  -0.913
  162    H    GLU  23           H        GLU  23  -4.852   6.339   1.165
  163    HA   GLU  23           HA       GLU  23  -2.695   4.983   0.284
  164   1HB   GLU  23          2HB       GLU  23  -4.099   2.899   0.624
  165   2HB   GLU  23          1HB       GLU  23  -4.242   4.094   1.914
  166   1HG   GLU  23          2HG       GLU  23  -6.280   5.002   0.761
  167   2HG   GLU  23          1HG       GLU  23  -6.179   3.653  -0.371
  168    H    ALA  24           H        ALA  24  -5.602   5.475  -1.665
  169    HA   ALA  24           HA       ALA  24  -4.999   3.529  -3.708
  170   1HB   ALA  24          1HB       ALA  24  -6.785   5.898  -3.318
  171   2HB   ALA  24          2HB       ALA  24  -7.210   4.229  -3.694
  172   3HB   ALA  24          3HB       ALA  24  -6.578   5.285  -4.958
  173    H    LEU  25           H        LEU  25  -4.282   7.020  -3.365
  174    HA   LEU  25           HA       LEU  25  -3.132   7.379  -5.966
  175   1HB   LEU  25          2HB       LEU  25  -3.760   8.875  -3.719
  176   2HB   LEU  25          1HB       LEU  25  -2.004   8.968  -3.780
  177    HG   LEU  25           HG       LEU  25  -2.924   9.270  -6.440
  178   1HD1  LEU  25          1HD1      LEU  25  -4.163  11.580  -5.653
  179   2HD1  LEU  25          2HD1      LEU  25  -4.717  10.455  -4.412
  180   3HD1  LEU  25          3HD1      LEU  25  -5.017  10.108  -6.115
  181   1HD2  LEU  25          1HD2      LEU  25  -1.850  11.246  -4.403
  182   2HD2  LEU  25          2HD2      LEU  25  -1.946  11.555  -6.136
  183   3HD2  LEU  25          3HD2      LEU  25  -0.896  10.277  -5.525
  184    H    CYS  26           H        CYS  26  -1.659   6.584  -2.796
  185    HA   CYS  26           HA       CYS  26   1.013   6.397  -4.025
  186   1HB   CYS  26          2HB       CYS  26  -0.128   6.787  -1.455
  187   2HB   CYS  26          1HB       CYS  26   0.865   5.329  -1.368
  188    H    ALA  27           H        ALA  27  -1.583   4.170  -3.208
  189    HA   ALA  27           HA       ALA  27   0.087   1.812  -3.152
  190   1HB   ALA  27          1HB       ALA  27  -2.865   2.254  -3.657
  191   2HB   ALA  27          2HB       ALA  27  -2.123   1.879  -2.102
  192   3HB   ALA  27          3HB       ALA  27  -2.140   0.670  -3.386
  193    H    THR  28           H        THR  28  -1.423   3.710  -5.514
  194    HA   THR  28           HA       THR  28  -1.155   1.828  -7.736
  195    HB   THR  28           HB       THR  28  -2.333   4.410  -7.079
  196    HG1  THR  28           1HG      THR  28  -2.928   2.992  -9.399
  197   1HG2  THR  28          1HG2      THR  28  -0.766   4.182  -9.637
  198   2HG2  THR  28          2HG2      THR  28  -0.838   5.530  -8.503
  199   3HG2  THR  28          3HG2      THR  28  -2.215   5.182  -9.550
  200    H    TYR  29           H        TYR  29   0.640   4.542  -6.356
  201    HA   TYR  29           HA       TYR  29   2.612   4.481  -8.577
  202   1HB   TYR  29          2HB       TYR  29   1.869   6.638  -7.785
  203   2HB   TYR  29          1HB       TYR  29   2.201   6.194  -6.111
  204    HD1  TYR  29           1HD      TYR  29   3.877   7.768  -5.497
  205    HD2  TYR  29           2HD      TYR  29   4.296   5.468  -9.099
  206    HE1  TYR  29           1HE      TYR  29   6.211   8.570  -5.737
  207    HE2  TYR  29           2HE      TYR  29   6.629   6.269  -9.341
  208    HH   TYR  29           HH       TYR  29   8.441   7.308  -7.213
  209    H    THR  30           H        THR  30   2.381   3.709  -5.115
  210    HA   THR  30           HA       THR  30   5.230   3.059  -4.933
  211    HB   THR  30           HB       THR  30   3.487   3.977  -3.171
  212    HG1  THR  30           1HG      THR  30   5.678   2.280  -2.903
  213   1HG2  THR  30          1HG2      THR  30   2.056   1.913  -3.420
  214   2HG2  THR  30          2HG2      THR  30   2.526   2.301  -1.767
  215   3HG2  THR  30          3HG2      THR  30   3.353   1.011  -2.636
  216    H    GLY  31           H        GLY  31   2.446   1.413  -6.043
  217   1HA   GLY  31          2HA       GLY  31   2.645  -0.753  -7.115
  218   2HA   GLY  31          1HA       GLY  31   4.008  -1.119  -6.059
  219    H    CYS  32           H        CYS  32   1.259   0.316  -4.554
  220    HA   CYS  32           HA       CYS  32   0.650  -2.310  -3.262
  221   1HB   CYS  32          2HB       CYS  32   1.039   0.389  -2.396
  222   2HB   CYS  32          1HB       CYS  32  -0.628  -0.059  -2.034
  223    H    ILE  33           H        ILE  33  -1.836  -2.219  -2.480
  224    HA   ILE  33           HA       ILE  33  -3.613  -1.012  -4.504
  225    HB   ILE  33           HB       ILE  33  -4.513  -3.213  -5.165
  226   1HG1  ILE  33          2HG1      ILE  33  -2.195  -4.394  -3.611
  227   2HG1  ILE  33          1HG1      ILE  33  -3.841  -4.322  -2.982
  228   1HG2  ILE  33          1HG2      ILE  33  -2.564  -2.119  -6.373
  229   2HG2  ILE  33          2HG2      ILE  33  -2.685  -3.865  -6.586
  230   3HG2  ILE  33          3HG2      ILE  33  -1.499  -3.195  -5.467
  231   1HD1  ILE  33          1HD1      ILE  33  -4.265  -5.383  -5.471
  232   2HD1  ILE  33          2HD1      ILE  33  -4.086  -6.342  -4.002
  233   3HD1  ILE  33          3HD1      ILE  33  -2.698  -6.080  -5.059
  234    H    ILE  34           H        ILE  34  -5.718  -0.801  -3.721
  235    HA   ILE  34           HA       ILE  34  -6.100  -1.452  -0.848
  236    HB   ILE  34           HB       ILE  34  -7.398   0.359  -2.890
  237   1HG1  ILE  34          2HG1      ILE  34  -6.784   2.031  -1.049
  238   2HG1  ILE  34          1HG1      ILE  34  -5.857   0.730  -0.311
  239   1HG2  ILE  34          1HG2      ILE  34  -8.816   1.105  -0.876
  240   2HG2  ILE  34          2HG2      ILE  34  -8.372  -0.436  -0.142
  241   3HG2  ILE  34          3HG2      ILE  34  -9.279  -0.409  -1.655
  242   1HD1  ILE  34          1HD1      ILE  34  -4.850   2.456  -2.170
  243   2HD1  ILE  34          2HD1      ILE  34  -5.371   1.121  -3.200
  244   3HD1  ILE  34          3HD1      ILE  34  -4.222   0.831  -1.893
  245    H    ILE  35           H        ILE  35  -7.763  -2.816  -0.146
  246    HA   ILE  35           HA       ILE  35  -9.658  -3.941  -2.147
  247    HB   ILE  35           HB       ILE  35  -8.976  -6.231  -1.514
  248   1HG1  ILE  35          2HG1      ILE  35  -7.010  -4.727   0.234
  249   2HG1  ILE  35          1HG1      ILE  35  -8.230  -5.894   0.747
  250   1HG2  ILE  35          1HG2      ILE  35  -7.795  -4.842  -3.353
  251   2HG2  ILE  35          2HG2      ILE  35  -6.981  -6.299  -2.781
  252   3HG2  ILE  35          3HG2      ILE  35  -6.459  -4.716  -2.208
  253   1HD1  ILE  35          1HD1      ILE  35  -5.526  -6.382  -0.133
  254   2HD1  ILE  35          2HD1      ILE  35  -6.659  -7.208  -1.202
  255   3HD1  ILE  35          3HD1      ILE  35  -6.694  -7.523   0.533
  256    HA   PRO  36           HA       PRO  36 -12.336  -3.819   1.341
  257   1HB   PRO  36          2HB       PRO  36 -14.168  -5.710   0.600
  258   2HB   PRO  36          1HB       PRO  36 -14.075  -4.107  -0.157
  259   1HG   PRO  36          2HG       PRO  36 -13.073  -6.726  -1.142
  260   2HG   PRO  36          1HG       PRO  36 -13.800  -5.385  -2.038
  261   1HD   PRO  36          2HD       PRO  36 -11.110  -5.899  -1.962
  262   2HD   PRO  36          1HD       PRO  36 -11.808  -4.293  -2.268
  263    H    GLY  37           H        GLY  37 -10.153  -5.111   2.197
  264   1HA   GLY  37          2HA       GLY  37  -9.551  -6.624   3.905
  265   2HA   GLY  37          1HA       GLY  37 -11.207  -7.221   3.910
  266    H    ALA  38           H        ALA  38  -8.321  -8.379   3.599
  267    HA   ALA  38           HA       ALA  38  -8.885 -10.832   2.402
  268   1HB   ALA  38          1HB       ALA  38  -7.588  -9.987   0.110
  269   2HB   ALA  38          2HB       ALA  38  -8.610  -8.603   0.494
  270   3HB   ALA  38          3HB       ALA  38  -9.334 -10.194   0.258
  271    H    THR  39           H        THR  39  -6.567  -8.221   2.758
  272    HA   THR  39           HA       THR  39  -4.334  -8.275   3.478
  273    HB   THR  39           HB       THR  39  -5.622 -10.476   4.555
  274    HG1  THR  39           1HG      THR  39  -4.276  -9.047   5.655
  275   1HG2  THR  39          1HG2      THR  39  -4.372 -12.413   4.260
  276   2HG2  THR  39          2HG2      THR  39  -2.944 -11.534   3.716
  277   3HG2  THR  39          3HG2      THR  39  -4.321 -11.732   2.635
  278    H    CYS  40           H        CYS  40  -5.463  -9.385   0.712
  279    HA   CYS  40           HA       CYS  40  -4.491  -9.921  -1.375
  280   1HB   CYS  40          2HB       CYS  40  -2.671  -8.310   0.215
  281   2HB   CYS  40          1HB       CYS  40  -1.782  -9.356  -0.890
  282    HA   PRO  41           HA       PRO  41  -2.591 -13.873  -1.236
  283   1HB   PRO  41          2HB       PRO  41  -0.590 -13.784  -3.103
  284   2HB   PRO  41          1HB       PRO  41  -2.314 -13.809  -3.534
  285   1HG   PRO  41          2HG       PRO  41  -0.432 -11.498  -3.393
  286   2HG   PRO  41          1HG       PRO  41  -1.686 -11.859  -4.591
  287   1HD   PRO  41          2HD       PRO  41  -2.036 -10.050  -2.607
  288   2HD   PRO  41          1HD       PRO  41  -3.372 -11.008  -3.283
  289    H    GLY  42           H        GLY  42  -0.051 -14.841  -1.417
  290   1HA   GLY  42          2HA       GLY  42   1.221 -13.733   0.997
  291   2HA   GLY  42          1HA       GLY  42   1.688 -15.220   0.170
  292    H    ASP  43           H        ASP  43   1.324 -12.892  -2.171
  293    HA   ASP  43           HA       ASP  43   4.272 -12.398  -2.229
  294   1HB   ASP  43          2HB       ASP  43   2.127 -12.972  -4.139
  295   2HB   ASP  43          1HB       ASP  43   3.114 -11.598  -4.638
  296    H    TYR  44           H        TYR  44   1.130 -10.837  -2.133
  297    HA   TYR  44           HA       TYR  44   2.397  -8.140  -2.333
  298   1HB   TYR  44          2HB       TYR  44  -0.508  -9.020  -2.333
  299   2HB   TYR  44          1HB       TYR  44   0.095  -7.417  -2.754
  300    HD1  TYR  44           1HD      TYR  44   2.630  -8.469  -4.184
  301    HD2  TYR  44           2HD      TYR  44  -1.530  -9.483  -4.492
  302    HE1  TYR  44           1HE      TYR  44   2.984  -9.200  -6.526
  303    HE2  TYR  44           2HE      TYR  44  -1.179 -10.217  -6.834
  304    HH   TYR  44           HH       TYR  44   1.221 -11.118  -8.136
  305    H    ALA  45           H        ALA  45   1.675 -10.348   0.024
  306    HA   ALA  45           HA       ALA  45   0.405  -8.560   1.977
  307   1HB   ALA  45          1HB       ALA  45  -0.019 -10.990   1.875
  308   2HB   ALA  45          2HB       ALA  45   0.680 -10.548   3.432
  309   3HB   ALA  45          3HB       ALA  45   1.687 -11.302   2.196
  310    H    ASN  46           H        ASN  46   3.088  -7.798   0.834
  311    HA   ASN  46           HA       ASN  46   4.708  -7.847   3.353
  312   1HB   ASN  46          2HB       ASN  46   5.243  -8.172   0.472
  313   2HB   ASN  46          1HB       ASN  46   6.376  -7.097   1.289
  314   1HD2  ASN  46          1HD2      ASN  46   7.413  -9.505   0.382
  315   2HD2  ASN  46          2HD2      ASN  46   7.697 -10.557   1.685
  Start of MODEL   17
    1   1H    THR   1          1HT       THR   1  -8.015  -3.106   2.142
    2   2H    THR   1          2HT       THR   1  -7.514  -2.464   3.633
    3   3H    THR   1          3HT       THR   1  -8.626  -3.747   3.589
    4    HA   THR   1           HA       THR   1  -6.309  -4.433   4.185
    5    HB   THR   1           HB       THR   1  -7.795  -5.439   1.744
    6    HG1  THR   1           1HG      THR   1  -8.271  -7.083   3.451
    7   1HG2  THR   1          1HG2      THR   1  -5.506  -6.696   3.274
    8   2HG2  THR   1          2HG2      THR   1  -5.544  -6.288   1.558
    9   3HG2  THR   1          3HG2      THR   1  -6.560  -7.591   2.177
   10    H    THR   2           H        THR   2  -4.355  -3.413   3.802
   11    HA   THR   2           HA       THR   2  -3.654  -2.451   1.102
   12    HB   THR   2           HB       THR   2  -1.590  -2.437   3.190
   13    HG1  THR   2           1HG      THR   2  -2.700  -1.485   4.735
   14   1HG2  THR   2          1HG2      THR   2  -2.645  -0.782   1.085
   15   2HG2  THR   2          2HG2      THR   2  -1.113  -0.629   1.944
   16   3HG2  THR   2          3HG2      THR   2  -2.562   0.151   2.579
   17    H    CYS   3           H        CYS   3  -1.687  -3.206  -0.000
   18    HA   CYS   3           HA       CYS   3  -0.493  -5.748   0.965
   19   1HB   CYS   3          2HB       CYS   3  -2.239  -5.394  -1.470
   20   2HB   CYS   3          1HB       CYS   3  -1.090  -6.725  -1.346
   21    H    CYS   4           H        CYS   4   1.671  -5.547   0.584
   22    HA   CYS   4           HA       CYS   4   2.551  -4.209  -1.947
   23   1HB   CYS   4          2HB       CYS   4   3.662  -3.886   0.863
   24   2HB   CYS   4          1HB       CYS   4   4.353  -3.158  -0.587
   25    HA   PRO   5           HA       PRO   5   4.793  -7.986  -2.346
   26   1HB   PRO   5          2HB       PRO   5   6.597  -7.177  -4.243
   27   2HB   PRO   5          1HB       PRO   5   4.896  -7.535  -4.607
   28   1HG   PRO   5          2HG       PRO   5   6.225  -4.901  -4.182
   29   2HG   PRO   5          1HG       PRO   5   4.998  -5.365  -5.371
   30   1HD   PRO   5          2HD       PRO   5   4.399  -3.984  -3.118
   31   2HD   PRO   5          1HD       PRO   5   3.265  -5.123  -3.879
   32    H    SER   6           H        SER   6   6.003  -5.184  -0.935
   33    HA   SER   6           HA       SER   6   8.254  -6.654   0.253
   34   1HB   SER   6          2HB       SER   6   8.676  -4.244  -1.542
   35   2HB   SER   6          1HB       SER   6   9.934  -5.040  -0.602
   36    HG   SER   6           HG       SER   6   9.029  -7.004  -1.813
   37    H    ILE   7           H        ILE   7   9.003  -5.619   2.172
   38    HA   ILE   7           HA       ILE   7   7.224  -4.038   3.663
   39    HB   ILE   7           HB       ILE   7  10.259  -4.179   3.758
   40   1HG1  ILE   7          2HG1      ILE   7   8.097  -5.828   5.111
   41   2HG1  ILE   7          1HG1      ILE   7   9.204  -6.391   3.859
   42   1HG2  ILE   7          1HG2      ILE   7   9.329  -3.903   6.340
   43   2HG2  ILE   7          2HG2      ILE   7   8.245  -2.844   5.437
   44   3HG2  ILE   7          3HG2      ILE   7   9.989  -2.593   5.360
   45   1HD1  ILE   7          1HD1      ILE   7   9.642  -6.527   6.606
   46   2HD1  ILE   7          2HD1      ILE   7  10.621  -5.154   6.090
   47   3HD1  ILE   7          3HD1      ILE   7  10.863  -6.736   5.350
   48    H    VAL   8           H        VAL   8   9.725  -3.049   1.371
   49    HA   VAL   8           HA       VAL   8   9.684  -0.229   2.005
   50    HB   VAL   8           HB       VAL   8  10.397  -1.729  -0.539
   51   1HG1  VAL   8          1HG1      VAL   8  12.084   0.428  -0.327
   52   2HG1  VAL   8          2HG1      VAL   8  10.577   1.090   0.310
   53   3HG1  VAL   8          3HG1      VAL   8  10.622   0.398  -1.312
   54   1HG2  VAL   8          1HG2      VAL   8  11.760  -2.685   1.116
   55   2HG2  VAL   8          2HG2      VAL   8  11.860  -1.184   2.036
   56   3HG2  VAL   8          3HG2      VAL   8  12.760  -1.356   0.529
   57    H    ALA   9           H        ALA   9   8.272  -2.052  -0.745
   58    HA   ALA   9           HA       ALA   9   6.832  -0.088  -2.051
   59   1HB   ALA   9          1HB       ALA   9   6.510  -2.978  -1.464
   60   2HB   ALA   9          2HB       ALA   9   6.519  -2.144  -3.018
   61   3HB   ALA   9          3HB       ALA   9   5.055  -2.159  -2.035
   62    H    ARG  10           H        ARG  10   5.999  -1.647   1.031
   63    HA   ARG  10           HA       ARG  10   3.435  -0.245   1.251
   64   1HB   ARG  10          2HB       ARG  10   3.420  -2.341   2.247
   65   2HB   ARG  10          1HB       ARG  10   5.111  -2.240   2.710
   66   1HG   ARG  10          2HG       ARG  10   3.847  -0.233   4.215
   67   2HG   ARG  10          1HG       ARG  10   2.749  -1.608   4.262
   68   1HD   ARG  10          2HD       ARG  10   5.696  -2.047   4.672
   69   2HD   ARG  10          1HD       ARG  10   4.671  -1.526   6.017
   70    HE   ARG  10           HE       ARG  10   3.767  -3.832   4.375
   71   1HH1  ARG  10          1HH1      ARG  10   5.696  -3.031   7.042
   72   2HH1  ARG  10          2HH1      ARG  10   4.974  -4.186   8.111
   73   1HH2  ARG  10          1HH2      ARG  10   2.499  -5.109   5.863
   74   2HH2  ARG  10          2HH2      ARG  10   3.168  -5.371   7.439
   75    H    SER  11           H        SER  11   6.671  -0.075   2.773
   76    HA   SER  11           HA       SER  11   6.247   1.953   4.662
   77   1HB   SER  11          2HB       SER  11   8.371   0.578   3.553
   78   2HB   SER  11          1HB       SER  11   8.696   2.233   3.047
   79    HG   SER  11           HG       SER  11   8.021   2.555   5.464
   80    H    ASN  12           H        ASN  12   6.775   2.247   1.152
   81    HA   ASN  12           HA       ASN  12   6.833   5.138   1.088
   82   1HB   ASN  12          2HB       ASN  12   5.856   3.347  -1.138
   83   2HB   ASN  12          1HB       ASN  12   6.817   4.819  -1.260
   84   1HD2  ASN  12          1HD2      ASN  12   7.295   1.841  -2.083
   85   2HD2  ASN  12          2HD2      ASN  12   8.846   1.519  -1.479
   86    H    PHE  13           H        PHE  13   4.287   2.747   0.340
   87    HA   PHE  13           HA       PHE  13   2.135   4.411  -0.260
   88   1HB   PHE  13          2HB       PHE  13   1.532   2.210  -0.413
   89   2HB   PHE  13          1HB       PHE  13   2.633   1.729   0.872
   90    HD1  PHE  13           1HD      PHE  13  -0.290   4.076   0.780
   91    HD2  PHE  13           2HD      PHE  13   1.453   0.552   2.506
   92    HE1  PHE  13           1HE      PHE  13  -2.190   3.907   2.355
   93    HE2  PHE  13           2HE      PHE  13  -0.456   0.381   4.082
   94    HZ   PHE  13           HZ       PHE  13  -2.278   2.060   4.006
   95    H    ASN  14           H        ASN  14   3.359   3.506   2.958
   96    HA   ASN  14           HA       ASN  14   1.353   5.084   4.392
   97   1HB   ASN  14          2HB       ASN  14   3.896   3.597   5.073
   98   2HB   ASN  14          1HB       ASN  14   3.046   4.548   6.291
   99   1HD2  ASN  14          1HD2      ASN  14   3.311   1.435   5.306
  100   2HD2  ASN  14          2HD2      ASN  14   1.742   0.877   5.633
  101    H    VAL  15           H        VAL  15   4.353   5.712   2.843
  102    HA   VAL  15           HA       VAL  15   5.071   8.060   4.450
  103    HB   VAL  15           HB       VAL  15   6.232   6.247   2.574
  104   1HG1  VAL  15          1HG1      VAL  15   7.515   7.878   1.163
  105   2HG1  VAL  15          2HG1      VAL  15   6.429   9.150   1.720
  106   3HG1  VAL  15          3HG1      VAL  15   5.798   7.808   0.766
  107   1HG2  VAL  15          1HG2      VAL  15   6.995   7.463   4.809
  108   2HG2  VAL  15          2HG2      VAL  15   7.747   8.574   3.664
  109   3HG2  VAL  15          3HG2      VAL  15   8.175   6.863   3.643
  110    H    CYS  16           H        CYS  16   3.237   7.342   1.576
  111    HA   CYS  16           HA       CYS  16   3.173  10.138   0.646
  112   1HB   CYS  16          2HB       CYS  16   3.196   8.667  -1.131
  113   2HB   CYS  16          1HB       CYS  16   2.346   7.414  -0.235
  114    H    ARG  17           H        ARG  17   1.166   7.939   2.520
  115    HA   ARG  17           HA       ARG  17  -1.179   9.733   2.411
  116   1HB   ARG  17          2HB       ARG  17  -1.358   7.245   2.318
  117   2HB   ARG  17          1HB       ARG  17  -0.631   7.154   3.922
  118   1HG   ARG  17          2HG       ARG  17  -2.731   9.022   4.143
  119   2HG   ARG  17          1HG       ARG  17  -3.384   7.680   3.204
  120   1HD   ARG  17          2HD       ARG  17  -2.738   6.084   4.931
  121   2HD   ARG  17          1HD       ARG  17  -1.920   7.365   5.848
  122    HE   ARG  17           HE       ARG  17  -4.761   7.858   5.209
  123   1HH1  ARG  17          1HH2      ARG  17  -3.451   9.308   7.413
  124   2HH1  ARG  17          2HH2      ARG  17  -3.969   8.438   8.817
  125   1HH2  ARG  17          1HH1      ARG  17  -4.980   5.639   7.038
  126   2HH2  ARG  17          2HH1      ARG  17  -4.836   6.363   8.605
  127    H    LEU  18           H        LEU  18   1.658   9.990   3.899
  128    HA   LEU  18           HA       LEU  18   0.977  10.281   6.692
  129   1HB   LEU  18          2HB       LEU  18   3.220  10.288   4.952
  130   2HB   LEU  18          1HB       LEU  18   3.249  11.816   5.826
  131    HG   LEU  18           HG       LEU  18   3.205   9.021   6.977
  132   1HD1  LEU  18          1HD1      LEU  18   5.406   9.964   6.365
  133   2HD1  LEU  18          2HD1      LEU  18   5.248   9.809   8.114
  134   3HD1  LEU  18          3HD1      LEU  18   5.068  11.387   7.349
  135   1HD2  LEU  18          1HD2      LEU  18   1.771  10.009   8.498
  136   2HD2  LEU  18          2HD2      LEU  18   2.365  11.635   8.158
  137   3HD2  LEU  18          3HD2      LEU  18   3.307  10.547   9.177
  138    HA   PRO  19           HA       PRO  19   0.853  14.911   5.543
  139   1HB   PRO  19          2HB       PRO  19   0.648  15.591   2.905
  140   2HB   PRO  19          1HB       PRO  19   2.200  15.396   3.739
  141   1HG   PRO  19          2HG       PRO  19   0.820  13.569   1.865
  142   2HG   PRO  19          1HG       PRO  19   2.549  13.839   2.116
  143   1HD   PRO  19          2HD       PRO  19   1.110  11.684   3.085
  144   2HD   PRO  19          1HD       PRO  19   2.681  12.227   3.709
  145    H    GLY  20           H        GLY  20  -0.837  14.097   2.538
  146   1HA   GLY  20          2HA       GLY  20  -3.414  13.977   3.970
  147   2HA   GLY  20          1HA       GLY  20  -3.199  15.341   2.875
  148    H    THR  21           H        THR  21  -1.948  12.052   2.331
  149    HA   THR  21           HA       THR  21  -3.604  11.988  -0.126
  150    HB   THR  21           HB       THR  21  -1.264  10.247   0.619
  151    HG1  THR  21           1HG      THR  21  -0.495  12.328   0.629
  152   1HG2  THR  21          1HG2      THR  21  -1.159  10.253  -1.975
  153   2HG2  THR  21          2HG2      THR  21  -2.794  10.896  -1.891
  154   3HG2  THR  21          3HG2      THR  21  -2.434   9.316  -1.200
  155    HA   PRO  22           HA       PRO  22  -5.899   8.739   1.792
  156   1HB   PRO  22          2HB       PRO  22  -7.221   7.958  -0.475
  157   2HB   PRO  22          1HB       PRO  22  -7.660   9.402   0.456
  158   1HG   PRO  22          2HG       PRO  22  -6.072   9.182  -2.056
  159   2HG   PRO  22          1HG       PRO  22  -7.276  10.396  -1.590
  160   1HD   PRO  22          2HD       PRO  22  -4.583  10.839  -1.442
  161   2HD   PRO  22          1HD       PRO  22  -5.753  11.617  -0.367
  162    H    GLU  23           H        GLU  23  -4.895   6.885   2.220
  163    HA   GLU  23           HA       GLU  23  -2.790   5.536   1.262
  164   1HB   GLU  23          2HB       GLU  23  -5.499   4.344   1.935
  165   2HB   GLU  23          1HB       GLU  23  -3.993   3.425   1.904
  166   1HG   GLU  23          2HG       GLU  23  -3.215   4.375   3.829
  167   2HG   GLU  23          1HG       GLU  23  -3.974   5.928   3.503
  168    H    ALA  24           H        ALA  24  -5.933   5.528  -0.325
  169    HA   ALA  24           HA       ALA  24  -5.533   3.545  -2.300
  170   1HB   ALA  24          1HB       ALA  24  -7.083   6.139  -2.178
  171   2HB   ALA  24          2HB       ALA  24  -7.691   4.499  -1.959
  172   3HB   ALA  24          3HB       ALA  24  -7.204   5.052  -3.560
  173    H    LEU  25           H        LEU  25  -4.839   7.072  -2.482
  174    HA   LEU  25           HA       LEU  25  -3.656   6.881  -5.131
  175   1HB   LEU  25          2HB       LEU  25  -4.580   8.830  -3.352
  176   2HB   LEU  25          1HB       LEU  25  -2.850   9.141  -3.475
  177    HG   LEU  25           HG       LEU  25  -4.017   8.541  -6.075
  178   1HD1  LEU  25          1HD1      LEU  25  -4.913  11.189  -5.044
  179   2HD1  LEU  25          2HD1      LEU  25  -5.856   9.777  -4.564
  180   3HD1  LEU  25          3HD1      LEU  25  -5.642  10.155  -6.273
  181   1HD2  LEU  25          1HD2      LEU  25  -1.902  10.000  -4.987
  182   2HD2  LEU  25          2HD2      LEU  25  -2.992  11.239  -5.611
  183   3HD2  LEU  25          3HD2      LEU  25  -2.380   9.981  -6.685
  184    H    CYS  26           H        CYS  26  -2.499   6.343  -1.905
  185    HA   CYS  26           HA       CYS  26   0.333   6.795  -2.563
  186   1HB   CYS  26          2HB       CYS  26  -1.164   5.671  -0.179
  187   2HB   CYS  26          1HB       CYS  26   0.583   5.906  -0.211
  188    H    ALA  27           H        ALA  27  -1.915   4.140  -2.710
  189    HA   ALA  27           HA       ALA  27   0.283   2.156  -2.796
  190   1HB   ALA  27          1HB       ALA  27  -1.680   0.561  -2.876
  191   2HB   ALA  27          2HB       ALA  27  -2.736   1.972  -2.797
  192   3HB   ALA  27          3HB       ALA  27  -1.661   1.599  -1.451
  193    H    THR  28           H        THR  28  -1.886   3.870  -4.737
  194    HA   THR  28           HA       THR  28  -1.535   2.225  -7.153
  195    HB   THR  28           HB       THR  28  -3.028   4.677  -6.265
  196    HG1  THR  28           1HG      THR  28  -4.023   2.620  -7.871
  197   1HG2  THR  28          1HG2      THR  28  -2.084   5.380  -8.393
  198   2HG2  THR  28          2HG2      THR  28  -3.799   5.022  -8.605
  199   3HG2  THR  28          3HG2      THR  28  -2.582   3.865  -9.145
  200    H    TYR  29           H        TYR  29  -0.096   4.956  -5.582
  201    HA   TYR  29           HA       TYR  29   1.331   5.875  -8.016
  202   1HB   TYR  29          2HB       TYR  29   0.429   7.555  -6.549
  203   2HB   TYR  29          1HB       TYR  29   1.121   6.773  -5.130
  204    HD1  TYR  29           1HD      TYR  29   2.873   7.197  -8.375
  205    HD2  TYR  29           2HD      TYR  29   2.461   8.602  -4.336
  206    HE1  TYR  29           1HE      TYR  29   4.935   8.554  -8.636
  207    HE2  TYR  29           2HE      TYR  29   4.522   9.955  -4.596
  208    HH   TYR  29           HH       TYR  29   5.788  11.011  -6.585
  209    H    THR  30           H        THR  30   1.883   4.130  -5.000
  210    HA   THR  30           HA       THR  30   4.800   3.997  -5.528
  211    HB   THR  30           HB       THR  30   3.496   4.436  -3.273
  212    HG1  THR  30           1HG      THR  30   5.743   4.262  -3.462
  213   1HG2  THR  30          1HG2      THR  30   3.873   1.541  -2.798
  214   2HG2  THR  30          2HG2      THR  30   2.476   1.980  -3.780
  215   3HG2  THR  30          3HG2      THR  30   2.653   2.642  -2.156
  216    H    GLY  31           H        GLY  31   1.980   2.182  -6.175
  217   1HA   GLY  31          2HA       GLY  31   2.301   0.260  -7.732
  218   2HA   GLY  31          1HA       GLY  31   3.670  -0.223  -6.731
  219    H    CYS  32           H        CYS  32   2.433   0.164  -4.180
  220    HA   CYS  32           HA       CYS  32   1.311  -2.316  -3.606
  221   1HB   CYS  32          2HB       CYS  32   0.914   0.435  -2.414
  222   2HB   CYS  32          1HB       CYS  32   0.281  -1.021  -1.648
  223    H    ILE  33           H        ILE  33  -1.100  -2.452  -2.651
  224    HA   ILE  33           HA       ILE  33  -3.078  -1.091  -4.391
  225    HB   ILE  33           HB       ILE  33  -3.868  -3.125  -5.370
  226   1HG1  ILE  33          2HG1      ILE  33  -2.073  -4.489  -3.342
  227   2HG1  ILE  33          1HG1      ILE  33  -3.831  -4.582  -3.446
  228   1HG2  ILE  33          1HG2      ILE  33  -1.727  -2.239  -6.314
  229   2HG2  ILE  33          2HG2      ILE  33  -1.906  -3.980  -6.532
  230   3HG2  ILE  33          3HG2      ILE  33  -0.845  -3.355  -5.269
  231   1HD1  ILE  33          1HD1      ILE  33  -1.807  -6.102  -4.908
  232   2HD1  ILE  33          2HD1      ILE  33  -2.994  -5.360  -5.980
  233   3HD1  ILE  33          3HD1      ILE  33  -3.524  -6.443  -4.691
  234    H    ILE  34           H        ILE  34  -5.289  -1.407  -3.579
  235    HA   ILE  34           HA       ILE  34  -5.443  -2.616  -0.843
  236    HB   ILE  34           HB       ILE  34  -6.640   0.034  -1.695
  237   1HG1  ILE  34          2HG1      ILE  34  -4.169  -0.416  -0.003
  238   2HG1  ILE  34          1HG1      ILE  34  -4.105  -0.043  -1.724
  239   1HG2  ILE  34          1HG2      ILE  34  -7.772  -1.026   0.192
  240   2HG2  ILE  34          2HG2      ILE  34  -6.823   0.341   0.778
  241   3HG2  ILE  34          3HG2      ILE  34  -6.226  -1.304   0.996
  242   1HD1  ILE  34          1HD1      ILE  34  -5.742   1.930  -0.956
  243   2HD1  ILE  34          2HD1      ILE  34  -3.988   2.100  -0.899
  244   3HD1  ILE  34          3HD1      ILE  34  -4.882   1.696   0.566
  245    H    ILE  35           H        ILE  35  -7.399  -3.647  -0.424
  246    HA   ILE  35           HA       ILE  35  -9.591  -3.378  -2.439
  247    HB   ILE  35           HB       ILE  35  -9.727  -5.810  -2.580
  248   1HG1  ILE  35          2HG1      ILE  35  -8.691  -5.900  -0.104
  249   2HG1  ILE  35          1HG1      ILE  35  -8.601  -7.269  -1.205
  250   1HG2  ILE  35          1HG2      ILE  35  -8.200  -4.700  -4.136
  251   2HG2  ILE  35          2HG2      ILE  35  -7.544  -6.268  -3.667
  252   3HG2  ILE  35          3HG2      ILE  35  -6.895  -4.793  -2.953
  253   1HD1  ILE  35          1HD1      ILE  35  -6.406  -6.825  -0.170
  254   2HD1  ILE  35          2HD1      ILE  35  -6.431  -5.183  -0.811
  255   3HD1  ILE  35          3HD1      ILE  35  -6.343  -6.557  -1.911
  256    HA   PRO  36           HA       PRO  36 -12.211  -3.497   1.067
  257   1HB   PRO  36          2HB       PRO  36 -14.404  -4.825   0.108
  258   2HB   PRO  36          1HB       PRO  36 -13.993  -3.165  -0.369
  259   1HG   PRO  36          2HG       PRO  36 -13.572  -5.715  -1.834
  260   2HG   PRO  36          1HG       PRO  36 -14.007  -4.115  -2.451
  261   1HD   PRO  36          2HD       PRO  36 -11.484  -5.183  -2.585
  262   2HD   PRO  36          1HD       PRO  36 -11.831  -3.441  -2.594
  263    H    GLY  37           H        GLY  37 -10.288  -5.391   1.463
  264   1HA   GLY  37          2HA       GLY  37 -10.100  -7.185   3.031
  265   2HA   GLY  37          1HA       GLY  37 -11.801  -7.562   2.771
  266    H    ALA  38           H        ALA  38  -9.142  -9.101   2.543
  267    HA   ALA  38           HA       ALA  38  -9.929 -10.978   0.557
  268   1HB   ALA  38          1HB       ALA  38  -8.054  -8.767  -0.308
  269   2HB   ALA  38          2HB       ALA  38  -9.574  -9.248  -1.063
  270   3HB   ALA  38          3HB       ALA  38  -8.164 -10.300  -1.173
  271    H    THR  39           H        THR  39  -7.327  -9.438   2.344
  272    HA   THR  39           HA       THR  39  -5.586 -10.413   3.574
  273    HB   THR  39           HB       THR  39  -7.567 -12.323   3.353
  274    HG1  THR  39           1HG      THR  39  -6.437 -13.282   5.071
  275   1HG2  THR  39          1HG2      THR  39  -5.967 -13.280   1.498
  276   2HG2  THR  39          2HG2      THR  39  -6.693 -14.376   2.674
  277   3HG2  THR  39          3HG2      THR  39  -5.023 -13.845   2.875
  278    H    CYS  40           H        CYS  40  -5.956 -10.477   0.335
  279    HA   CYS  40           HA       CYS  40  -4.515 -10.809  -1.504
  280   1HB   CYS  40          2HB       CYS  40  -2.982  -9.792   0.844
  281   2HB   CYS  40          1HB       CYS  40  -2.073 -10.227  -0.603
  282    HA   PRO  41           HA       PRO  41  -2.603 -14.766  -1.548
  283   1HB   PRO  41          2HB       PRO  41  -0.469 -14.402  -3.216
  284   2HB   PRO  41          1HB       PRO  41  -2.145 -14.399  -3.795
  285   1HG   PRO  41          2HG       PRO  41  -0.329 -12.108  -3.235
  286   2HG   PRO  41          1HG       PRO  41  -1.502 -12.325  -4.543
  287   1HD   PRO  41          2HD       PRO  41  -1.965 -10.795  -2.334
  288   2HD   PRO  41          1HD       PRO  41  -3.249 -11.582  -3.273
  289    H    GLY  42           H        GLY  42   0.169 -15.394  -1.806
  290   1HA   GLY  42          2HA       GLY  42   1.145 -14.534   0.871
  291   2HA   GLY  42          1HA       GLY  42   1.697 -15.960  -0.005
  292    H    ASP  43           H        ASP  43   1.404 -13.370  -2.127
  293    HA   ASP  43           HA       ASP  43   4.350 -12.853  -1.958
  294   1HB   ASP  43          2HB       ASP  43   2.762 -13.832  -4.001
  295   2HB   ASP  43          1HB       ASP  43   2.883 -12.118  -4.404
  296    H    TYR  44           H        TYR  44   1.169 -11.433  -1.918
  297    HA   TYR  44           HA       TYR  44   2.352  -8.682  -1.973
  298   1HB   TYR  44          2HB       TYR  44  -0.484  -9.680  -2.388
  299   2HB   TYR  44          1HB       TYR  44   0.055  -8.013  -2.586
  300    HD1  TYR  44           1HD      TYR  44   2.825  -8.824  -3.762
  301    HD2  TYR  44           2HD      TYR  44  -1.211  -9.946  -4.704
  302    HE1  TYR  44           1HE      TYR  44   3.505  -9.305  -6.095
  303    HE2  TYR  44           2HE      TYR  44  -0.530 -10.430  -7.038
  304    HH   TYR  44           HH       TYR  44   2.859 -10.327  -8.020
  305    H    ALA  45           H        ALA  45   1.674 -10.927   0.253
  306    HA   ALA  45           HA       ALA  45   0.001  -9.338   2.088
  307   1HB   ALA  45          1HB       ALA  45   0.444 -11.330   3.563
  308   2HB   ALA  45          2HB       ALA  45   1.507 -11.964   2.307
  309   3HB   ALA  45          3HB       ALA  45  -0.216 -11.762   1.986
  310    H    ASN  46           H        ASN  46   2.663  -8.242   1.221
  311    HA   ASN  46           HA       ASN  46   4.095  -8.243   3.851
  312   1HB   ASN  46          2HB       ASN  46   4.842  -8.392   1.038
  313   2HB   ASN  46          1HB       ASN  46   5.692  -7.082   1.860
  314   1HD2  ASN  46          1HD2      ASN  46   6.014  -8.148   4.438
  315   2HD2  ASN  46          2HD2      ASN  46   6.980  -9.541   4.361
  Start of MODEL   18
    1   1H    THR   1          1HT       THR   1  -7.881  -2.061   4.713
    2   2H    THR   1          2HT       THR   1  -8.685  -3.429   5.321
    3   3H    THR   1          3HT       THR   1  -8.366  -3.297   3.657
    4    HA   THR   1           HA       THR   1  -6.330  -3.606   5.809
    5    HB   THR   1           HB       THR   1  -7.377  -5.407   3.603
    6    HG1  THR   1           1HG      THR   1  -7.730  -6.612   5.774
    7   1HG2  THR   1          1HG2      THR   1  -5.169  -6.087   3.801
    8   2HG2  THR   1          2HG2      THR   1  -5.921  -7.061   5.066
    9   3HG2  THR   1          3HG2      THR   1  -5.058  -5.582   5.487
   10    H    THR   2           H        THR   2  -4.159  -4.082   4.772
   11    HA   THR   2           HA       THR   2  -3.850  -2.765   2.100
   12    HB   THR   2           HB       THR   2  -2.206  -2.300   4.611
   13    HG1  THR   2           1HG      THR   2  -3.357  -0.537   4.854
   14   1HG2  THR   2          1HG2      THR   2  -2.047  -0.679   2.088
   15   2HG2  THR   2          2HG2      THR   2  -1.149  -2.190   2.211
   16   3HG2  THR   2          3HG2      THR   2  -0.837  -0.887   3.356
   17    H    CYS   3           H        CYS   3  -2.541  -3.953   0.760
   18    HA   CYS   3           HA       CYS   3  -0.674  -5.942   2.003
   19   1HB   CYS   3          2HB       CYS   3  -2.930  -6.247   0.082
   20   2HB   CYS   3          1HB       CYS   3  -1.484  -7.196  -0.260
   21    H    CYS   4           H        CYS   4   1.228  -4.785   1.509
   22    HA   CYS   4           HA       CYS   4   1.620  -3.780  -1.262
   23   1HB   CYS   4          2HB       CYS   4   3.372  -3.582   1.208
   24   2HB   CYS   4          1HB       CYS   4   3.504  -2.609  -0.256
   25    HA   PRO   5           HA       PRO   5   4.175  -7.110  -2.517
   26   1HB   PRO   5          2HB       PRO   5   6.137  -5.818  -3.925
   27   2HB   PRO   5          1HB       PRO   5   4.479  -6.029  -4.523
   28   1HG   PRO   5          2HG       PRO   5   5.726  -3.655  -3.215
   29   2HG   PRO   5          1HG       PRO   5   4.639  -3.729  -4.613
   30   1HD   PRO   5          2HD       PRO   5   3.761  -3.057  -2.155
   31   2HD   PRO   5          1HD       PRO   5   2.754  -3.960  -3.308
   32    H    SER   6           H        SER   6   5.424  -4.755  -0.330
   33    HA   SER   6           HA       SER   6   7.155  -6.564   0.988
   34   1HB   SER   6          2HB       SER   6   8.123  -5.622  -1.541
   35   2HB   SER   6          1HB       SER   6   9.159  -4.973  -0.275
   36    HG   SER   6           HG       SER   6   9.899  -7.007  -0.833
   37    H    ILE   7           H        ILE   7   8.920  -5.301   2.291
   38    HA   ILE   7           HA       ILE   7   7.706  -3.282   3.847
   39    HB   ILE   7           HB       ILE   7  10.596  -4.006   3.277
   40   1HG1  ILE   7          2HG1      ILE   7   9.112  -5.748   4.292
   41   2HG1  ILE   7          1HG1      ILE   7  10.419  -5.251   5.367
   42   1HG2  ILE   7          1HG2      ILE   7  10.747  -1.827   4.184
   43   2HG2  ILE   7          2HG2      ILE   7  10.930  -2.886   5.581
   44   3HG2  ILE   7          3HG2      ILE   7   9.385  -2.092   5.273
   45   1HD1  ILE   7          1HD1      ILE   7   7.538  -4.317   5.466
   46   2HD1  ILE   7          2HD1      ILE   7   8.831  -3.639   6.454
   47   3HD1  ILE   7          3HD1      ILE   7   8.362  -5.328   6.652
   48    H    VAL   8           H        VAL   8   9.877  -2.999   1.037
   49    HA   VAL   8           HA       VAL   8  10.324  -0.214   1.038
   50    HB   VAL   8           HB       VAL   8   9.893  -2.213  -1.203
   51   1HG1  VAL   8          1HG1      VAL   8   9.911   0.552  -1.446
   52   2HG1  VAL   8          2HG1      VAL   8  10.302  -0.594  -2.730
   53   3HG1  VAL   8          3HG1      VAL   8  11.591   0.109  -1.753
   54   1HG2  VAL   8          1HG2      VAL   8  11.829  -2.242   0.666
   55   2HG2  VAL   8          2HG2      VAL   8  12.551  -1.086  -0.453
   56   3HG2  VAL   8          3HG2      VAL   8  12.135  -2.708  -1.007
   57    H    ALA   9           H        ALA   9   7.860  -1.864  -0.982
   58    HA   ALA   9           HA       ALA   9   6.383   0.378  -1.776
   59   1HB   ALA   9          1HB       ALA   9   5.999  -1.893  -2.599
   60   2HB   ALA   9          2HB       ALA   9   4.494  -1.277  -1.917
   61   3HB   ALA   9          3HB       ALA   9   5.477  -2.414  -0.997
   62    H    ARG  10           H        ARG  10   5.392  -1.768   0.915
   63    HA   ARG  10           HA       ARG  10   3.448  -0.223   2.115
   64   1HB   ARG  10          2HB       ARG  10   4.519  -2.527   2.641
   65   2HB   ARG  10          1HB       ARG  10   5.625  -1.620   3.669
   66   1HG   ARG  10          2HG       ARG  10   4.046  -1.740   5.277
   67   2HG   ARG  10          1HG       ARG  10   3.095  -0.614   4.305
   68   1HD   ARG  10          2HD       ARG  10   1.552  -2.285   4.176
   69   2HD   ARG  10          1HD       ARG  10   2.677  -3.069   3.052
   70    HE   ARG  10           HE       ARG  10   3.585  -4.349   4.901
   71   1HH1  ARG  10          1HH2      ARG  10   0.579  -4.691   5.237
   72   2HH1  ARG  10          2HH2      ARG  10   0.392  -4.406   6.935
   73   1HH2  ARG  10          1HH1      ARG  10   3.508  -2.934   7.301
   74   2HH2  ARG  10          2HH1      ARG  10   2.049  -3.412   8.103
   75    H    SER  11           H        SER  11   6.909   0.377   2.061
   76    HA   SER  11           HA       SER  11   7.018   2.244   4.259
   77   1HB   SER  11          2HB       SER  11   9.220   2.151   3.719
   78   2HB   SER  11          1HB       SER  11   8.759   0.966   2.504
   79    HG   SER  11           HG       SER  11   9.658   3.492   2.197
   80    H    ASN  12           H        ASN  12   6.894   2.758   0.705
   81    HA   ASN  12           HA       ASN  12   6.570   5.631   0.919
   82   1HB   ASN  12          2HB       ASN  12   5.657   3.898  -1.382
   83   2HB   ASN  12          1HB       ASN  12   6.368   5.511  -1.441
   84   1HD2  ASN  12          1HD2      ASN  12   7.089   2.201  -1.768
   85   2HD2  ASN  12          2HD2      ASN  12   8.779   2.308  -1.652
   86    H    PHE  13           H        PHE  13   4.305   2.993   0.106
   87    HA   PHE  13           HA       PHE  13   1.903   4.298  -0.214
   88   1HB   PHE  13          2HB       PHE  13   2.130   1.899  -0.334
   89   2HB   PHE  13          1HB       PHE  13   2.612   1.807   1.361
   90    HD1  PHE  13           1HD      PHE  13   0.977   1.086   2.844
   91    HD2  PHE  13           2HD      PHE  13  -0.183   3.291  -0.649
   92    HE1  PHE  13           1HE      PHE  13  -1.406   0.885   3.508
   93    HE2  PHE  13           2HE      PHE  13  -2.563   3.088   0.009
   94    HZ   PHE  13           HZ       PHE  13  -3.176   1.885   2.089
   95    H    ASN  14           H        ASN  14   3.385   3.456   2.920
   96    HA   ASN  14           HA       ASN  14   1.301   4.772   4.487
   97   1HB   ASN  14          2HB       ASN  14   3.934   3.404   4.925
   98   2HB   ASN  14          1HB       ASN  14   3.283   4.396   6.231
   99   1HD2  ASN  14          1HD2      ASN  14   3.519   1.469   6.319
  100   2HD2  ASN  14          2HD2      ASN  14   1.943   0.852   6.455
  101    H    VAL  15           H        VAL  15   4.237   5.719   2.930
  102    HA   VAL  15           HA       VAL  15   4.708   8.107   4.558
  103    HB   VAL  15           HB       VAL  15   6.020   6.455   2.626
  104   1HG1  VAL  15          1HG1      VAL  15   6.040   9.396   1.883
  105   2HG1  VAL  15          2HG1      VAL  15   5.366   8.091   0.907
  106   3HG1  VAL  15          3HG1      VAL  15   7.103   8.163   1.206
  107   1HG2  VAL  15          1HG2      VAL  15   6.849   7.331   4.825
  108   2HG2  VAL  15          2HG2      VAL  15   7.062   8.905   4.058
  109   3HG2  VAL  15          3HG2      VAL  15   7.998   7.518   3.500
  110    H    CYS  16           H        CYS  16   2.946   7.260   1.664
  111    HA   CYS  16           HA       CYS  16   2.583  10.052   0.801
  112   1HB   CYS  16          2HB       CYS  16   2.712   8.589  -0.997
  113   2HB   CYS  16          1HB       CYS  16   1.921   7.283  -0.121
  114    H    ARG  17           H        ARG  17   0.914   7.708   2.780
  115    HA   ARG  17           HA       ARG  17  -1.659   9.149   2.678
  116   1HB   ARG  17          2HB       ARG  17  -1.697   6.740   2.759
  117   2HB   ARG  17          1HB       ARG  17  -0.582   6.712   4.126
  118   1HG   ARG  17          2HG       ARG  17  -2.908   6.325   4.866
  119   2HG   ARG  17          1HG       ARG  17  -2.266   7.827   5.534
  120   1HD   ARG  17          2HD       ARG  17  -3.374   9.090   3.684
  121   2HD   ARG  17          1HD       ARG  17  -4.099   7.571   3.125
  122    HE   ARG  17           HE       ARG  17  -5.014   7.413   5.548
  123   1HH1  ARG  17          1HH1      ARG  17  -3.897   9.997   6.507
  124   2HH1  ARG  17          2HH1      ARG  17  -5.222  11.088   6.268
  125   1HH2  ARG  17          1HH2      ARG  17  -6.918   8.977   4.103
  126   2HH2  ARG  17          2HH2      ARG  17  -6.928  10.513   4.904
  127    H    LEU  18           H        LEU  18   1.268   9.477   4.301
  128    HA   LEU  18           HA       LEU  18   0.427  10.115   6.966
  129   1HB   LEU  18          2HB       LEU  18   2.763   9.980   5.315
  130   2HB   LEU  18          1HB       LEU  18   2.769  11.523   6.158
  131    HG   LEU  18           HG       LEU  18   2.322   8.846   7.501
  132   1HD1  LEU  18          1HD1      LEU  18   4.560   8.597   7.275
  133   2HD1  LEU  18          2HD1      LEU  18   4.710   9.924   8.428
  134   3HD1  LEU  18          3HD1      LEU  18   4.761  10.251   6.696
  135   1HD2  LEU  18          1HD2      LEU  18   1.915  11.569   8.317
  136   2HD2  LEU  18          2HD2      LEU  18   3.251  10.897   9.252
  137   3HD2  LEU  18          3HD2      LEU  18   1.680  10.099   9.263
  138    HA   PRO  19           HA       PRO  19   0.480  14.617   5.321
  139   1HB   PRO  19          2HB       PRO  19   0.258  14.990   2.622
  140   2HB   PRO  19          1HB       PRO  19   1.815  14.870   3.462
  141   1HG   PRO  19          2HG       PRO  19   0.374  12.839   1.850
  142   2HG   PRO  19          1HG       PRO  19   2.110  13.136   2.008
  143   1HD   PRO  19          2HD       PRO  19   0.759  11.110   3.268
  144   2HD   PRO  19          1HD       PRO  19   2.300  11.786   3.831
  145    H    GLY  20           H        GLY  20  -1.271  13.365   2.500
  146   1HA   GLY  20          2HA       GLY  20  -3.830  13.309   3.859
  147   2HA   GLY  20          1HA       GLY  20  -3.634  14.768   2.883
  148    H    THR  21           H        THR  21  -2.140  11.731   1.951
  149    HA   THR  21           HA       THR  21  -3.756  11.769  -0.503
  150    HB   THR  21           HB       THR  21  -1.536   9.864   0.160
  151    HG1  THR  21           1HG      THR  21  -1.051  12.386  -0.990
  152   1HG2  THR  21          1HG2      THR  21  -2.710  11.119  -2.316
  153   2HG2  THR  21          2HG2      THR  21  -2.537   9.408  -1.924
  154   3HG2  THR  21          3HG2      THR  21  -1.119  10.366  -2.347
  155    HA   PRO  22           HA       PRO  22  -6.102   8.321   0.904
  156   1HB   PRO  22          2HB       PRO  22  -7.124   7.628  -1.539
  157   2HB   PRO  22          1HB       PRO  22  -7.711   9.019  -0.607
  158   1HG   PRO  22          2HG       PRO  22  -5.875   8.944  -2.942
  159   2HG   PRO  22          1HG       PRO  22  -7.107  10.141  -2.513
  160   1HD   PRO  22          2HD       PRO  22  -4.401  10.485  -2.086
  161   2HD   PRO  22          1HD       PRO  22  -5.665  11.317  -1.171
  162    H    GLU  23           H        GLU  23  -5.221   6.378   1.288
  163    HA   GLU  23           HA       GLU  23  -2.924   5.200   0.524
  164   1HB   GLU  23          2HB       GLU  23  -5.671   4.005   0.927
  165   2HB   GLU  23          1HB       GLU  23  -4.233   2.993   0.783
  166   1HG   GLU  23          2HG       GLU  23  -3.199   4.358   2.640
  167   2HG   GLU  23          1HG       GLU  23  -4.768   5.131   2.860
  168    H    ALA  24           H        ALA  24  -5.775   5.401  -1.554
  169    HA   ALA  24           HA       ALA  24  -5.095   3.482  -3.532
  170   1HB   ALA  24          1HB       ALA  24  -7.215   4.359  -3.787
  171   2HB   ALA  24          2HB       ALA  24  -6.371   5.393  -4.939
  172   3HB   ALA  24          3HB       ALA  24  -6.711   5.980  -3.311
  173    H    LEU  25           H        LEU  25  -4.300   6.989  -3.405
  174    HA   LEU  25           HA       LEU  25  -2.658   6.935  -5.784
  175   1HB   LEU  25          2HB       LEU  25  -3.764   8.760  -3.939
  176   2HB   LEU  25          1HB       LEU  25  -2.021   9.003  -3.863
  177    HG   LEU  25           HG       LEU  25  -2.542   8.715  -6.585
  178   1HD1  LEU  25          1HD1      LEU  25  -4.410  10.051  -7.131
  179   2HD1  LEU  25          2HD1      LEU  25  -4.525  10.711  -5.500
  180   3HD1  LEU  25          3HD1      LEU  25  -4.995   9.039  -5.809
  181   1HD2  LEU  25          1HD2      LEU  25  -2.321  11.355  -6.392
  182   2HD2  LEU  25          2HD2      LEU  25  -0.957  10.305  -6.009
  183   3HD2  LEU  25          3HD2      LEU  25  -1.947  10.973  -4.711
  184    H    CYS  26           H        CYS  26  -2.091   6.317  -2.374
  185    HA   CYS  26           HA       CYS  26   0.811   6.507  -2.481
  186   1HB   CYS  26          2HB       CYS  26  -1.001   5.074  -0.515
  187   2HB   CYS  26          1HB       CYS  26   0.625   5.687  -0.207
  188    H    ALA  27           H        ALA  27  -1.567   3.907  -2.872
  189    HA   ALA  27           HA       ALA  27   0.592   1.891  -3.067
  190   1HB   ALA  27          1HB       ALA  27  -1.974   0.814  -3.633
  191   2HB   ALA  27          2HB       ALA  27  -2.191   1.991  -2.337
  192   3HB   ALA  27          3HB       ALA  27  -1.060   0.652  -2.133
  193    H    THR  28           H        THR  28  -0.880   4.057  -5.023
  194    HA   THR  28           HA       THR  28  -1.088   2.405  -7.448
  195    HB   THR  28           HB       THR  28  -1.872   5.053  -6.433
  196    HG1  THR  28           1HG      THR  28  -3.351   3.464  -6.962
  197   1HG2  THR  28          1HG2      THR  28  -0.294   5.854  -8.122
  198   2HG2  THR  28          2HG2      THR  28  -1.950   6.137  -8.658
  199   3HG2  THR  28          3HG2      THR  28  -1.025   4.796  -9.330
  200    H    TYR  29           H        TYR  29   1.055   4.857  -6.030
  201    HA   TYR  29           HA       TYR  29   2.840   4.824  -8.385
  202   1HB   TYR  29          2HB       TYR  29   2.369   6.899  -7.160
  203   2HB   TYR  29          1HB       TYR  29   2.964   6.172  -5.667
  204    HD1  TYR  29           1HD      TYR  29   4.447   5.608  -9.011
  205    HD2  TYR  29           2HD      TYR  29   4.805   7.684  -5.267
  206    HE1  TYR  29           1HE      TYR  29   6.758   6.282  -9.605
  207    HE2  TYR  29           2HE      TYR  29   7.117   8.358  -5.862
  208    HH   TYR  29           HH       TYR  29   8.915   7.670  -7.315
  209    H    THR  30           H        THR  30   2.860   3.727  -4.984
  210    HA   THR  30           HA       THR  30   5.560   2.624  -5.202
  211    HB   THR  30           HB       THR  30   4.226   3.584  -3.168
  212    HG1  THR  30           1HG      THR  30   6.012   1.466  -3.339
  213   1HG2  THR  30          1HG2      THR  30   2.488   1.617  -3.705
  214   2HG2  THR  30          2HG2      THR  30   2.754   2.222  -2.069
  215   3HG2  THR  30          3HG2      THR  30   3.555   0.744  -2.604
  216    H    GLY  31           H        GLY  31   2.379   1.530  -5.976
  217   1HA   GLY  31          2HA       GLY  31   2.085  -0.480  -7.316
  218   2HA   GLY  31          1HA       GLY  31   3.503  -1.172  -6.530
  219    H    CYS  32           H        CYS  32   2.731  -0.489  -3.822
  220    HA   CYS  32           HA       CYS  32   1.418  -2.739  -2.914
  221   1HB   CYS  32          2HB       CYS  32   2.436  -1.037  -1.480
  222   2HB   CYS  32          1HB       CYS  32   1.173   0.116  -1.915
  223    H    ILE  33           H        ILE  33  -0.837  -3.112  -2.220
  224    HA   ILE  33           HA       ILE  33  -2.859  -1.503  -3.729
  225    HB   ILE  33           HB       ILE  33  -3.888  -3.691  -4.377
  226   1HG1  ILE  33          2HG1      ILE  33  -1.584  -5.353  -4.019
  227   2HG1  ILE  33          1HG1      ILE  33  -1.992  -4.646  -2.455
  228   1HG2  ILE  33          1HG2      ILE  33  -1.426  -4.290  -5.606
  229   2HG2  ILE  33          2HG2      ILE  33  -1.393  -2.550  -5.318
  230   3HG2  ILE  33          3HG2      ILE  33  -2.707  -3.264  -6.252
  231   1HD1  ILE  33          1HD1      ILE  33  -4.275  -5.451  -2.624
  232   2HD1  ILE  33          2HD1      ILE  33  -3.187  -6.807  -2.916
  233   3HD1  ILE  33          3HD1      ILE  33  -3.996  -6.018  -4.270
  234    H    ILE  34           H        ILE  34  -4.865  -1.351  -2.685
  235    HA   ILE  34           HA       ILE  34  -4.959  -2.415   0.109
  236    HB   ILE  34           HB       ILE  34  -6.431  -0.145  -1.270
  237   1HG1  ILE  34          2HG1      ILE  34  -4.811   0.959   0.644
  238   2HG1  ILE  34          1HG1      ILE  34  -3.810  -0.375   0.074
  239   1HG2  ILE  34          1HG2      ILE  34  -7.767  -0.165   0.542
  240   2HG2  ILE  34          2HG2      ILE  34  -6.352   0.148   1.548
  241   3HG2  ILE  34          3HG2      ILE  34  -6.858  -1.511   1.231
  242   1HD1  ILE  34          1HD1      ILE  34  -3.652   1.913  -1.164
  243   2HD1  ILE  34          2HD1      ILE  34  -5.190   1.444  -1.888
  244   3HD1  ILE  34          3HD1      ILE  34  -3.760   0.441  -2.128
  245    H    ILE  35           H        ILE  35  -6.981  -3.367   0.834
  246    HA   ILE  35           HA       ILE  35  -8.972  -4.004  -1.298
  247    HB   ILE  35           HB       ILE  35  -8.819  -6.411  -0.425
  248   1HG1  ILE  35          2HG1      ILE  35  -6.102  -5.523   0.552
  249   2HG1  ILE  35          1HG1      ILE  35  -7.494  -5.572   1.635
  250   1HG2  ILE  35          1HG2      ILE  35  -6.917  -6.925  -1.860
  251   2HG2  ILE  35          2HG2      ILE  35  -6.339  -5.263  -1.741
  252   3HG2  ILE  35          3HG2      ILE  35  -7.845  -5.614  -2.589
  253   1HD1  ILE  35          1HD1      ILE  35  -6.775  -7.959  -0.059
  254   2HD1  ILE  35          2HD1      ILE  35  -7.735  -7.906   1.419
  255   3HD1  ILE  35          3HD1      ILE  35  -5.987  -7.683   1.493
  256    HA   PRO  36           HA       PRO  36 -11.804  -3.442   2.015
  257   1HB   PRO  36          2HB       PRO  36 -13.907  -4.935   1.104
  258   2HB   PRO  36          1HB       PRO  36 -13.461  -3.370   0.398
  259   1HG   PRO  36          2HG       PRO  36 -12.936  -6.114  -0.601
  260   2HG   PRO  36          1HG       PRO  36 -13.292  -4.632  -1.500
  261   1HD   PRO  36          2HD       PRO  36 -10.780  -5.721  -1.216
  262   2HD   PRO  36          1HD       PRO  36 -11.103  -4.013  -1.583
  263    H    GLY  37           H        GLY  37 -10.251  -6.338   1.402
  264   1HA   GLY  37          2HA       GLY  37 -11.217  -7.473   3.967
  265   2HA   GLY  37          1HA       GLY  37 -11.285  -8.498   2.533
  266    H    ALA  38           H        ALA  38  -9.711  -9.968   3.090
  267    HA   ALA  38           HA       ALA  38  -6.905  -8.927   3.200
  268   1HB   ALA  38          1HB       ALA  38  -6.901 -11.096   4.869
  269   2HB   ALA  38          2HB       ALA  38  -8.500 -10.416   5.175
  270   3HB   ALA  38          3HB       ALA  38  -7.058  -9.425   5.412
  271    H    THR  39           H        THR  39  -8.103  -9.940   0.933
  272    HA   THR  39           HA       THR  39  -7.171 -12.759   0.731
  273    HB   THR  39           HB       THR  39  -9.561 -11.767   0.210
  274    HG1  THR  39           1HG      THR  39  -9.422 -13.400  -1.703
  275   1HG2  THR  39          1HG2      THR  39  -9.868 -10.736  -1.792
  276   2HG2  THR  39          2HG2      THR  39  -8.619 -11.693  -2.589
  277   3HG2  THR  39          3HG2      THR  39  -8.170 -10.308  -1.594
  278    H    CYS  40           H        CYS  40  -5.858  -9.893   0.265
  279    HA   CYS  40           HA       CYS  40  -4.971  -9.643  -2.375
  280   1HB   CYS  40          2HB       CYS  40  -2.988  -8.552  -1.376
  281   2HB   CYS  40          1HB       CYS  40  -4.453  -8.093  -0.514
  282    HA   PRO  41           HA       PRO  41  -2.559 -13.162  -3.304
  283   1HB   PRO  41          2HB       PRO  41  -0.431 -12.106  -4.667
  284   2HB   PRO  41          1HB       PRO  41  -2.069 -12.201  -5.346
  285   1HG   PRO  41          2HG       PRO  41  -0.670  -9.887  -4.094
  286   2HG   PRO  41          1HG       PRO  41  -1.716  -9.933  -5.523
  287   1HD   PRO  41          2HD       PRO  41  -2.575  -9.073  -3.103
  288   2HD   PRO  41          1HD       PRO  41  -3.648  -9.870  -4.274
  289    H    GLY  42           H        GLY  42  -0.486 -14.272  -2.877
  290   1HA   GLY  42          2HA       GLY  42   0.623 -13.549  -0.294
  291   2HA   GLY  42          1HA       GLY  42   1.141 -14.904  -1.298
  292    H    ASP  43           H        ASP  43   1.274 -12.499  -3.437
  293    HA   ASP  43           HA       ASP  43   4.171 -12.073  -2.988
  294   1HB   ASP  43          2HB       ASP  43   2.220 -11.441  -5.226
  295   2HB   ASP  43          1HB       ASP  43   3.939 -11.052  -5.299
  296    H    TYR  44           H        TYR  44   1.143 -10.444  -2.657
  297    HA   TYR  44           HA       TYR  44   2.566  -7.868  -2.086
  298   1HB   TYR  44          2HB       TYR  44  -0.300  -8.309  -2.975
  299   2HB   TYR  44          1HB       TYR  44   0.571  -6.775  -2.917
  300    HD1  TYR  44           1HD      TYR  44  -0.782  -8.290  -5.351
  301    HD2  TYR  44           2HD      TYR  44   3.251  -7.907  -3.933
  302    HE1  TYR  44           1HE      TYR  44   0.061  -8.672  -7.651
  303    HE2  TYR  44           2HE      TYR  44   4.097  -8.288  -6.233
  304    HH   TYR  44           HH       TYR  44   2.622  -9.664  -8.529
  305    H    ALA  45           H        ALA  45   1.422 -10.429  -0.526
  306    HA   ALA  45           HA       ALA  45  -0.367  -9.106   1.414
  307   1HB   ALA  45          1HB       ALA  45   0.710 -11.853   0.862
  308   2HB   ALA  45          2HB       ALA  45  -0.967 -11.322   0.985
  309   3HB   ALA  45          3HB       ALA  45   0.007 -11.516   2.443
  310    H    ASN  46           H        ASN  46   2.469  -8.167   1.148
  311    HA   ASN  46           HA       ASN  46   3.536  -8.947   3.835
  312   1HB   ASN  46          2HB       ASN  46   4.743  -9.162   1.477
  313   2HB   ASN  46          1HB       ASN  46   5.089  -7.453   1.751
  314   1HD2  ASN  46          1HD2      ASN  46   5.037  -8.069   4.789
  315   2HD2  ASN  46          2HD2      ASN  46   6.564  -8.745   5.084
  Start of MODEL   19
    1   1H    THR   1          1HT       THR   1  -7.448  -0.852   3.454
    2   2H    THR   1          2HT       THR   1  -8.354  -1.877   4.461
    3   3H    THR   1          3HT       THR   1  -8.089  -2.296   2.836
    4    HA   THR   1           HA       THR   1  -6.078  -2.218   5.024
    5    HB   THR   1           HB       THR   1  -7.383  -4.314   3.269
    6    HG1  THR   1           1HG      THR   1  -7.187  -3.863   6.059
    7   1HG2  THR   1          1HG2      THR   1  -4.979  -4.568   5.097
    8   2HG2  THR   1          2HG2      THR   1  -5.010  -4.841   3.355
    9   3HG2  THR   1          3HG2      THR   1  -5.874  -5.936   4.436
   10    H    THR   2           H        THR   2  -3.976  -1.928   4.367
   11    HA   THR   2           HA       THR   2  -3.459  -1.532   1.464
   12    HB   THR   2           HB       THR   2  -2.208  -0.742   4.082
   13    HG1  THR   2           1HG      THR   2  -2.924   0.630   1.707
   14   1HG2  THR   2          1HG2      THR   2  -0.182  -1.234   3.111
   15   2HG2  THR   2          2HG2      THR   2  -0.451   0.349   2.381
   16   3HG2  THR   2          3HG2      THR   2  -0.822  -1.116   1.472
   17    H    CYS   3           H        CYS   3  -1.903  -2.767   0.350
   18    HA   CYS   3           HA       CYS   3  -0.399  -4.857   1.854
   19   1HB   CYS   3          2HB       CYS   3  -2.634  -5.186  -0.096
   20   2HB   CYS   3          1HB       CYS   3  -1.292  -6.323  -0.222
   21    H    CYS   4           H        CYS   4   1.703  -4.465   1.182
   22    HA   CYS   4           HA       CYS   4   2.139  -3.580  -1.637
   23   1HB   CYS   4          2HB       CYS   4   3.450  -3.173   1.010
   24   2HB   CYS   4          1HB       CYS   4   4.498  -3.176  -0.409
   25    HA   PRO   5           HA       PRO   5   4.122  -7.356  -2.625
   26   1HB   PRO   5          2HB       PRO   5   5.919  -6.501  -4.496
   27   2HB   PRO   5          1HB       PRO   5   4.173  -6.588  -4.800
   28   1HG   PRO   5          2HG       PRO   5   5.875  -4.235  -4.198
   29   2HG   PRO   5          1HG       PRO   5   4.453  -4.366  -5.241
   30   1HD   PRO   5          2HD       PRO   5   4.447  -3.291  -2.699
   31   2HD   PRO   5          1HD       PRO   5   3.015  -3.924  -3.538
   32    H    SER   6           H        SER   6   6.051  -4.684  -1.439
   33    HA   SER   6           HA       SER   6   8.056  -6.663  -0.436
   34   1HB   SER   6          2HB       SER   6   9.761  -4.810  -1.088
   35   2HB   SER   6          1HB       SER   6   9.103  -5.815  -2.375
   36    HG   SER   6           HG       SER   6   8.824  -3.769  -3.074
   37    H    ILE   7           H        ILE   7   9.533  -5.516   1.225
   38    HA   ILE   7           HA       ILE   7   7.902  -4.284   3.265
   39    HB   ILE   7           HB       ILE   7  10.914  -4.500   2.947
   40   1HG1  ILE   7          2HG1      ILE   7   8.987  -6.376   4.351
   41   2HG1  ILE   7          1HG1      ILE   7   9.635  -6.663   2.736
   42   1HG2  ILE   7          1HG2      ILE   7   9.252  -4.334   5.473
   43   2HG2  ILE   7          2HG2      ILE   7  10.024  -2.934   4.729
   44   3HG2  ILE   7          3HG2      ILE   7  11.009  -4.262   5.341
   45   1HD1  ILE   7          1HD1      ILE   7  11.165  -7.833   4.049
   46   2HD1  ILE   7          2HD1      ILE   7  11.062  -6.676   5.376
   47   3HD1  ILE   7          3HD1      ILE   7  11.956  -6.264   3.914
   48    H    VAL   8           H        VAL   8  10.125  -3.050   0.807
   49    HA   VAL   8           HA       VAL   8  10.352  -0.365   1.853
   50    HB   VAL   8           HB       VAL   8  10.653  -1.552  -0.926
   51   1HG1  VAL   8          1HG1      VAL   8  10.824   0.611  -1.572
   52   2HG1  VAL   8          2HG1      VAL   8  12.356   0.624  -0.697
   53   3HG1  VAL   8          3HG1      VAL   8  10.884   1.184   0.096
   54   1HG2  VAL   8          1HG2      VAL   8  13.157  -1.133  -0.091
   55   2HG2  VAL   8          2HG2      VAL   8  12.297  -2.624   0.297
   56   3HG2  VAL   8          3HG2      VAL   8  12.400  -1.328   1.490
   57    H    ALA   9           H        ALA   9   8.232  -1.876  -0.593
   58    HA   ALA   9           HA       ALA   9   6.847   0.509  -1.375
   59   1HB   ALA   9          1HB       ALA   9   5.949  -2.392  -1.292
   60   2HB   ALA   9          2HB       ALA   9   6.887  -1.656  -2.591
   61   3HB   ALA   9          3HB       ALA   9   5.235  -1.124  -2.286
   62    H    ARG  10           H        ARG  10   6.324  -1.809   1.263
   63    HA   ARG  10           HA       ARG  10   3.733  -0.851   2.063
   64   1HB   ARG  10          2HB       ARG  10   4.215  -2.936   2.888
   65   2HB   ARG  10          1HB       ARG  10   5.938  -2.609   2.980
   66   1HG   ARG  10          2HG       ARG  10   5.090  -0.995   4.978
   67   2HG   ARG  10          1HG       ARG  10   3.824  -2.220   5.030
   68   1HD   ARG  10          2HD       ARG  10   6.621  -3.208   4.755
   69   2HD   ARG  10          1HD       ARG  10   6.150  -2.543   6.327
   70    HE   ARG  10           HE       ARG  10   4.839  -4.849   4.979
   71   1HH1  ARG  10          1HH1      ARG  10   3.425  -2.664   6.849
   72   2HH1  ARG  10          2HH1      ARG  10   3.255  -3.627   8.278
   73   1HH2  ARG  10          1HH2      ARG  10   5.383  -6.129   7.163
   74   2HH2  ARG  10          2HH2      ARG  10   4.361  -5.591   8.456
   75    H    SER  11           H        SER  11   7.056  -0.080   3.101
   76    HA   SER  11           HA       SER  11   6.376   1.768   5.181
   77   1HB   SER  11          2HB       SER  11   8.658   0.703   3.870
   78   2HB   SER  11          1HB       SER  11   8.805   2.456   3.779
   79    HG   SER  11           HG       SER  11   8.251   0.950   6.126
   80    H    ASN  12           H        ASN  12   7.125   2.269   1.718
   81    HA   ASN  12           HA       ASN  12   6.803   5.126   1.732
   82   1HB   ASN  12          2HB       ASN  12   6.270   3.226  -0.565
   83   2HB   ASN  12          1HB       ASN  12   6.925   4.862  -0.645
   84   1HD2  ASN  12          1HD2      ASN  12   8.288   2.523  -1.733
   85   2HD2  ASN  12          2HD2      ASN  12   9.729   2.327  -0.857
   86    H    PHE  13           H        PHE  13   4.595   2.525   0.651
   87    HA   PHE  13           HA       PHE  13   2.318   3.940  -0.052
   88   1HB   PHE  13          2HB       PHE  13   2.842   1.426   0.063
   89   2HB   PHE  13          1HB       PHE  13   2.331   1.502   1.746
   90    HD1  PHE  13           1HD      PHE  13   0.424   3.954   0.257
   91    HD2  PHE  13           2HD      PHE  13   0.809  -0.322   0.320
   92    HE1  PHE  13           1HE      PHE  13  -1.939   3.723  -0.460
   93    HE2  PHE  13           2HE      PHE  13  -1.552  -0.549  -0.396
   94    HZ   PHE  13           HZ       PHE  13  -2.927   1.476  -0.785
   95    H    ASN  14           H        ASN  14   3.225   2.948   3.259
   96    HA   ASN  14           HA       ASN  14   1.004   4.335   4.528
   97   1HB   ASN  14          2HB       ASN  14   3.586   3.020   5.401
   98   2HB   ASN  14          1HB       ASN  14   2.506   3.788   6.566
   99   1HD2  ASN  14          1HD2      ASN  14   2.815   1.088   6.917
  100   2HD2  ASN  14          2HD2      ASN  14   1.451   0.237   6.372
  101    H    VAL  15           H        VAL  15   4.040   5.277   3.284
  102    HA   VAL  15           HA       VAL  15   4.443   7.574   5.066
  103    HB   VAL  15           HB       VAL  15   5.887   5.941   3.216
  104   1HG1  VAL  15          1HG1      VAL  15   5.348   7.800   1.581
  105   2HG1  VAL  15          2HG1      VAL  15   7.069   7.523   1.850
  106   3HG1  VAL  15          3HG1      VAL  15   6.263   8.886   2.627
  107   1HG2  VAL  15          1HG2      VAL  15   6.519   8.128   5.172
  108   2HG2  VAL  15          2HG2      VAL  15   7.798   7.404   4.196
  109   3HG2  VAL  15          3HG2      VAL  15   6.848   6.400   5.293
  110    H    CYS  16           H        CYS  16   2.809   6.870   2.092
  111    HA   CYS  16           HA       CYS  16   2.676   9.711   1.264
  112   1HB   CYS  16          2HB       CYS  16   3.032   8.176  -0.497
  113   2HB   CYS  16          1HB       CYS  16   1.859   7.030   0.149
  114    H    ARG  17           H        ARG  17   0.731   7.340   2.949
  115    HA   ARG  17           HA       ARG  17  -1.798   8.805   2.583
  116   1HB   ARG  17          2HB       ARG  17  -0.823   6.236   3.542
  117   2HB   ARG  17          1HB       ARG  17  -1.990   6.927   4.668
  118   1HG   ARG  17          2HG       ARG  17  -3.636   7.175   2.906
  119   2HG   ARG  17          1HG       ARG  17  -2.462   6.676   1.686
  120   1HD   ARG  17          2HD       ARG  17  -3.361   4.593   2.008
  121   2HD   ARG  17          1HD       ARG  17  -2.352   4.572   3.468
  122    HE   ARG  17           HE       ARG  17  -5.029   5.840   3.678
  123   1HH1  ARG  17          1HH1      ARG  17  -4.544   2.691   3.420
  124   2HH1  ARG  17          2HH1      ARG  17  -4.775   2.258   5.082
  125   1HH2  ARG  17          1HH2      ARG  17  -4.621   5.527   6.229
  126   2HH2  ARG  17          2HH2      ARG  17  -4.819   3.865   6.672
  127    H    LEU  18           H        LEU  18   0.933   9.355   4.374
  128    HA   LEU  18           HA       LEU  18  -0.051   9.922   7.001
  129   1HB   LEU  18          2HB       LEU  18   2.334   9.980   5.445
  130   2HB   LEU  18          1HB       LEU  18   2.173  11.545   6.229
  131    HG   LEU  18           HG       LEU  18   2.120   8.830   7.565
  132   1HD1  LEU  18          1HD1      LEU  18   3.963  10.899   8.530
  133   2HD1  LEU  18          2HD1      LEU  18   4.259  10.442   6.852
  134   3HD1  LEU  18          3HD1      LEU  18   4.284   9.214   8.118
  135   1HD2  LEU  18          1HD2      LEU  18   2.041  10.322   9.672
  136   2HD2  LEU  18          2HD2      LEU  18   0.540  10.135   8.767
  137   3HD2  LEU  18          3HD2      LEU  18   1.498  11.605   8.591
  138    HA   PRO  19           HA       PRO  19  -0.262  14.472   5.462
  139   1HB   PRO  19          2HB       PRO  19  -0.431  14.878   2.757
  140   2HB   PRO  19          1HB       PRO  19   1.105  14.857   3.647
  141   1HG   PRO  19          2HG       PRO  19  -0.161  12.718   2.009
  142   2HG   PRO  19          1HG       PRO  19   1.544  13.186   2.134
  143   1HD   PRO  19          2HD       PRO  19   0.502  11.027   3.399
  144   2HD   PRO  19          1HD       PRO  19   1.882  11.944   4.034
  145    H    GLY  20           H        GLY  20  -2.008  11.844   4.028
  146   1HA   GLY  20          2HA       GLY  20  -4.469  11.901   4.638
  147   2HA   GLY  20          1HA       GLY  20  -4.472  13.543   3.993
  148    H    THR  21           H        THR  21  -2.512  11.232   2.347
  149    HA   THR  21           HA       THR  21  -4.004  11.533  -0.090
  150    HB   THR  21           HB       THR  21  -1.834   9.552   0.580
  151    HG1  THR  21           1HG      THR  21  -0.446  11.134   0.718
  152   1HG2  THR  21          1HG2      THR  21  -1.170  10.133  -1.791
  153   2HG2  THR  21          2HG2      THR  21  -2.669  11.048  -1.909
  154   3HG2  THR  21          3HG2      THR  21  -2.719   9.305  -1.635
  155    HA   PRO  22           HA       PRO  22  -6.501   7.952   0.446
  156   1HB   PRO  22          2HB       PRO  22  -7.197   7.635  -2.181
  157   2HB   PRO  22          1HB       PRO  22  -7.897   8.882  -1.136
  158   1HG   PRO  22          2HG       PRO  22  -5.810   9.126  -3.229
  159   2HG   PRO  22          1HG       PRO  22  -7.059  10.280  -2.740
  160   1HD   PRO  22          2HD       PRO  22  -4.396  10.425  -1.985
  161   2HD   PRO  22          1HD       PRO  22  -5.726  11.205  -1.131
  162    H    GLU  23           H        GLU  23  -5.586   6.013   0.743
  163    HA   GLU  23           HA       GLU  23  -3.201   4.966   0.011
  164   1HB   GLU  23          2HB       GLU  23  -4.197   2.776   0.334
  165   2HB   GLU  23          1HB       GLU  23  -5.004   3.918   1.408
  166   1HG   GLU  23          2HG       GLU  23  -6.106   3.361  -1.340
  167   2HG   GLU  23          1HG       GLU  23  -6.479   2.292   0.012
  168    H    ALA  24           H        ALA  24  -5.925   5.328  -2.195
  169    HA   ALA  24           HA       ALA  24  -5.107   3.569  -4.276
  170   1HB   ALA  24          1HB       ALA  24  -6.586   6.216  -4.215
  171   2HB   ALA  24          2HB       ALA  24  -7.287   4.598  -4.242
  172   3HB   ALA  24          3HB       ALA  24  -6.458   5.222  -5.668
  173    H    LEU  25           H        LEU  25  -4.436   7.090  -3.876
  174    HA   LEU  25           HA       LEU  25  -2.670   7.283  -6.126
  175   1HB   LEU  25          2HB       LEU  25  -3.828   8.918  -4.192
  176   2HB   LEU  25          1HB       LEU  25  -2.103   9.042  -3.855
  177    HG   LEU  25           HG       LEU  25  -2.593   9.140  -6.710
  178   1HD1  LEU  25          1HD1      LEU  25  -3.656  11.476  -6.572
  179   2HD1  LEU  25          2HD1      LEU  25  -4.124  11.041  -4.927
  180   3HD1  LEU  25          3HD1      LEU  25  -4.728  10.103  -6.293
  181   1HD2  LEU  25          1HD2      LEU  25  -0.536   9.921  -5.658
  182   2HD2  LEU  25          2HD2      LEU  25  -1.437  11.080  -4.682
  183   3HD2  LEU  25          3HD2      LEU  25  -1.335  11.291  -6.429
  184    H    CYS  26           H        CYS  26  -2.065   6.681  -2.656
  185    HA   CYS  26           HA       CYS  26   0.812   6.552  -2.898
  186   1HB   CYS  26          2HB       CYS  26  -1.001   5.278  -0.830
  187   2HB   CYS  26          1HB       CYS  26   0.670   5.792  -0.611
  188    H    ALA  27           H        ALA  27  -1.720   4.347  -3.701
  189    HA   ALA  27           HA       ALA  27   0.058   1.988  -3.547
  190   1HB   ALA  27          1HB       ALA  27  -2.079   1.363  -2.896
  191   2HB   ALA  27          2HB       ALA  27  -2.218   1.060  -4.629
  192   3HB   ALA  27          3HB       ALA  27  -2.844   2.559  -3.943
  193    H    THR  28           H        THR  28  -0.631   4.449  -5.635
  194    HA   THR  28           HA       THR  28  -0.322   2.937  -8.148
  195    HB   THR  28           HB       THR  28  -1.171   5.591  -7.196
  196    HG1  THR  28           1HG      THR  28  -2.228   3.738  -8.451
  197   1HG2  THR  28          1HG2      THR  28   0.930   6.204  -8.427
  198   2HG2  THR  28          2HG2      THR  28  -0.537   6.860  -9.155
  199   3HG2  THR  28          3HG2      THR  28   0.247   5.449  -9.868
  200    H    TYR  29           H        TYR  29   1.523   5.065  -6.007
  201    HA   TYR  29           HA       TYR  29   3.858   5.169  -7.797
  202   1HB   TYR  29          2HB       TYR  29   3.499   7.094  -6.479
  203   2HB   TYR  29          1HB       TYR  29   3.090   6.148  -5.050
  204    HD1  TYR  29           1HD      TYR  29   5.998   5.837  -7.392
  205    HD2  TYR  29           2HD      TYR  29   4.665   6.738  -3.409
  206    HE1  TYR  29           1HE      TYR  29   8.356   5.959  -6.630
  207    HE2  TYR  29           2HE      TYR  29   7.022   6.860  -2.648
  208    HH   TYR  29           HH       TYR  29   9.249   5.908  -3.405
  209    H    THR  30           H        THR  30   2.916   3.519  -4.779
  210    HA   THR  30           HA       THR  30   5.437   2.189  -4.367
  211    HB   THR  30           HB       THR  30   3.894   0.987  -2.750
  212    HG1  THR  30           1HG      THR  30   1.888   1.081  -3.246
  213   1HG2  THR  30          1HG2      THR  30   4.837   3.634  -2.772
  214   2HG2  THR  30          2HG2      THR  30   4.390   2.679  -1.357
  215   3HG2  THR  30          3HG2      THR  30   3.191   3.707  -2.143
  216    H    GLY  31           H        GLY  31   2.479   1.495  -6.142
  217   1HA   GLY  31          2HA       GLY  31   2.225  -0.169  -7.836
  218   2HA   GLY  31          1HA       GLY  31   3.730  -0.915  -7.293
  219    H    CYS  32           H        CYS  32   1.618  -0.107  -4.749
  220    HA   CYS  32           HA       CYS  32   1.056  -2.981  -4.271
  221   1HB   CYS  32          2HB       CYS  32   0.492  -0.534  -2.569
  222   2HB   CYS  32          1HB       CYS  32   0.577  -2.208  -2.024
  223    H    ILE  33           H        ILE  33  -1.256  -3.082  -2.977
  224    HA   ILE  33           HA       ILE  33  -3.320  -1.592  -4.524
  225    HB   ILE  33           HB       ILE  33  -4.435  -3.804  -4.969
  226   1HG1  ILE  33          2HG1      ILE  33  -2.030  -5.391  -4.634
  227   2HG1  ILE  33          1HG1      ILE  33  -2.534  -4.698  -3.093
  228   1HG2  ILE  33          1HG2      ILE  33  -2.947  -2.673  -6.638
  229   2HG2  ILE  33          2HG2      ILE  33  -2.958  -4.429  -6.799
  230   3HG2  ILE  33          3HG2      ILE  33  -1.596  -3.623  -6.020
  231   1HD1  ILE  33          1HD1      ILE  33  -4.463  -5.917  -3.021
  232   2HD1  ILE  33          2HD1      ILE  33  -3.580  -6.989  -4.107
  233   3HD1  ILE  33          3HD1      ILE  33  -4.714  -5.809  -4.763
  234    H    ILE  34           H        ILE  34  -5.356  -1.509  -3.413
  235    HA   ILE  34           HA       ILE  34  -5.211  -2.304  -0.529
  236    HB   ILE  34           HB       ILE  34  -6.870  -0.198  -1.950
  237   1HG1  ILE  34          2HG1      ILE  34  -4.981   1.011  -0.276
  238   2HG1  ILE  34          1HG1      ILE  34  -4.083  -0.257  -1.109
  239   1HG2  ILE  34          1HG2      ILE  34  -7.973  -0.089   0.009
  240   2HG2  ILE  34          2HG2      ILE  34  -6.463   0.402   0.778
  241   3HG2  ILE  34          3HG2      ILE  34  -6.909  -1.303   0.718
  242   1HD1  ILE  34          1HD1      ILE  34  -4.168   1.985  -2.313
  243   2HD1  ILE  34          2HD1      ILE  34  -5.890   1.692  -2.555
  244   3HD1  ILE  34          3HD1      ILE  34  -4.703   0.597  -3.261
  245    H    ILE  35           H        ILE  35  -6.844  -3.608   0.296
  246    HA   ILE  35           HA       ILE  35  -9.106  -4.294  -1.543
  247    HB   ILE  35           HB       ILE  35  -8.776  -6.535   0.001
  248   1HG1  ILE  35          2HG1      ILE  35  -6.299  -7.034  -0.128
  249   2HG1  ILE  35          1HG1      ILE  35  -6.032  -5.326  -0.466
  250   1HG2  ILE  35          1HG2      ILE  35  -7.389  -5.882  -2.615
  251   2HG2  ILE  35          2HG2      ILE  35  -9.052  -6.445  -2.440
  252   3HG2  ILE  35          3HG2      ILE  35  -7.712  -7.506  -2.006
  253   1HD1  ILE  35          1HD1      ILE  35  -7.781  -5.616   1.813
  254   2HD1  ILE  35          2HD1      ILE  35  -6.212  -4.814   1.717
  255   3HD1  ILE  35          3HD1      ILE  35  -6.301  -6.540   2.067
  256    HA   PRO  36           HA       PRO  36 -11.848  -3.529   1.751
  257   1HB   PRO  36          2HB       PRO  36 -13.543  -5.678   1.752
  258   2HB   PRO  36          1HB       PRO  36 -13.556  -4.425   0.495
  259   1HG   PRO  36          2HG       PRO  36 -12.356  -7.147   0.439
  260   2HG   PRO  36          1HG       PRO  36 -13.195  -6.256  -0.839
  261   1HD   PRO  36          2HD       PRO  36 -10.484  -6.499  -0.707
  262   2HD   PRO  36          1HD       PRO  36 -11.309  -5.122  -1.468
  263    H    GLY  37           H        GLY  37 -10.213  -6.668   1.937
  264   1HA   GLY  37          2HA       GLY  37 -10.108  -6.340   4.869
  265   2HA   GLY  37          1HA       GLY  37 -10.896  -7.802   4.282
  266    H    ALA  38           H        ALA  38  -9.403  -9.289   4.939
  267    HA   ALA  38           HA       ALA  38  -6.526  -8.937   4.350
  268   1HB   ALA  38          1HB       ALA  38  -7.679 -11.462   5.408
  269   2HB   ALA  38          2HB       ALA  38  -7.917 -10.016   6.389
  270   3HB   ALA  38          3HB       ALA  38  -6.286 -10.542   5.974
  271    H    THR  39           H        THR  39  -8.535  -9.316   2.159
  272    HA   THR  39           HA       THR  39  -8.146 -12.009   1.124
  273    HB   THR  39           HB       THR  39 -10.016 -10.126   0.834
  274    HG1  THR  39           1HG      THR  39 -10.657 -11.302  -1.037
  275   1HG2  THR  39          1HG2      THR  39  -9.862  -8.906  -1.187
  276   2HG2  THR  39          2HG2      THR  39  -8.482  -9.853  -1.745
  277   3HG2  THR  39          3HG2      THR  39  -8.287  -8.706  -0.418
  278    H    CYS  40           H        CYS  40  -5.987  -9.685   1.477
  279    HA   CYS  40           HA       CYS  40  -4.738  -9.114  -0.966
  280   1HB   CYS  40          2HB       CYS  40  -3.719  -9.706   1.818
  281   2HB   CYS  40          1HB       CYS  40  -2.631  -9.193   0.527
  282    HA   PRO  41           HA       PRO  41  -3.345 -13.040  -2.402
  283   1HB   PRO  41          2HB       PRO  41  -1.287 -12.229  -4.007
  284   2HB   PRO  41          1HB       PRO  41  -2.994 -11.999  -4.439
  285   1HG   PRO  41          2HG       PRO  41  -1.037 -10.045  -3.363
  286   2HG   PRO  41          1HG       PRO  41  -2.340  -9.811  -4.535
  287   1HD   PRO  41          2HD       PRO  41  -2.480  -9.081  -1.886
  288   2HD   PRO  41          1HD       PRO  41  -3.890  -9.409  -2.916
  289    H    GLY  42           H        GLY  42  -0.656 -13.689  -3.022
  290   1HA   GLY  42          2HA       GLY  42   0.542 -13.661  -0.289
  291   2HA   GLY  42          1HA       GLY  42   0.853 -14.896  -1.508
  292    H    ASP  43           H        ASP  43   0.927 -12.379  -3.427
  293    HA   ASP  43           HA       ASP  43   3.864 -12.010  -3.119
  294   1HB   ASP  43          2HB       ASP  43   2.018 -11.108  -5.347
  295   2HB   ASP  43          1HB       ASP  43   3.759 -11.373  -5.435
  296    H    TYR  44           H        TYR  44   0.892 -10.360  -2.567
  297    HA   TYR  44           HA       TYR  44   2.341  -7.744  -2.354
  298   1HB   TYR  44          2HB       TYR  44  -0.605  -8.334  -2.777
  299   2HB   TYR  44          1HB       TYR  44   0.156  -6.744  -2.828
  300    HD1  TYR  44           1HD      TYR  44  -1.416  -8.275  -5.082
  301    HD2  TYR  44           2HD      TYR  44   2.754  -7.768  -4.183
  302    HE1  TYR  44           1HE      TYR  44  -0.858  -8.605  -7.477
  303    HE2  TYR  44           2HE      TYR  44   3.312  -8.098  -6.576
  304    HH   TYR  44           HH       TYR  44   0.895  -8.129  -9.039
  305    H    ALA  45           H        ALA  45   1.821 -10.095  -0.369
  306    HA   ALA  45           HA       ALA  45   0.219  -8.707   1.710
  307   1HB   ALA  45          1HB       ALA  45   0.721 -11.364   0.914
  308   2HB   ALA  45          2HB       ALA  45  -0.213 -10.843   2.316
  309   3HB   ALA  45          3HB       ALA  45   1.508 -11.189   2.482
  310    H    ASN  46           H        ASN  46   2.879  -7.672   0.825
  311    HA   ASN  46           HA       ASN  46   4.533  -8.137   3.271
  312   1HB   ASN  46          2HB       ASN  46   4.991  -7.272   0.430
  313   2HB   ASN  46          1HB       ASN  46   6.167  -6.815   1.663
  314   1HD2  ASN  46          1HD2      ASN  46   6.981  -8.734   3.063
  315   2HD2  ASN  46          2HD2      ASN  46   7.180 -10.227   2.281
  Start of MODEL   20
    1   1H    THR   1          1HT       THR   1  -7.483  -2.290   2.190
    2   2H    THR   1          2HT       THR   1  -7.162  -0.890   3.098
    3   3H    THR   1          3HT       THR   1  -7.972  -2.202   3.812
    4    HA   THR   1           HA       THR   1  -5.499  -1.920   4.358
    5    HB   THR   1           HB       THR   1  -6.944  -4.383   3.370
    6    HG1  THR   1           1HG      THR   1  -7.698  -3.373   5.249
    7   1HG2  THR   1          1HG2      THR   1  -5.168  -5.638   4.715
    8   2HG2  THR   1          2HG2      THR   1  -4.204  -4.164   4.624
    9   3HG2  THR   1          3HG2      THR   1  -4.657  -5.014   3.147
   10    H    THR   2           H        THR   2  -3.539  -1.616   3.372
   11    HA   THR   2           HA       THR   2  -3.287  -1.841   0.467
   12    HB   THR   2           HB       THR   2  -2.330  -0.062   2.027
   13    HG1  THR   2           1HG      THR   2  -0.219  -0.212   0.871
   14   1HG2  THR   2          1HG2      THR   2  -0.122  -2.047   2.473
   15   2HG2  THR   2          2HG2      THR   2  -1.489  -1.965   3.584
   16   3HG2  THR   2          3HG2      THR   2  -0.460  -0.552   3.346
   17    H    CYS   3           H        CYS   3  -1.399  -3.051  -0.493
   18    HA   CYS   3           HA       CYS   3  -0.344  -5.324   1.071
   19   1HB   CYS   3          2HB       CYS   3  -2.457  -5.489  -1.062
   20   2HB   CYS   3          1HB       CYS   3  -1.324  -6.825  -0.858
   21    H    CYS   4           H        CYS   4   1.808  -5.037   0.486
   22    HA   CYS   4           HA       CYS   4   2.402  -4.752  -2.444
   23   1HB   CYS   4          2HB       CYS   4   3.064  -3.154  -0.162
   24   2HB   CYS   4          1HB       CYS   4   4.555  -3.852  -0.795
   25    HA   PRO   5           HA       PRO   5   4.861  -8.368  -2.160
   26   1HB   PRO   5          2HB       PRO   5   6.975  -7.756  -3.786
   27   2HB   PRO   5          1HB       PRO   5   5.346  -8.095  -4.402
   28   1HG   PRO   5          2HG       PRO   5   6.700  -5.477  -3.980
   29   2HG   PRO   5          1HG       PRO   5   5.639  -6.000  -5.297
   30   1HD   PRO   5          2HD       PRO   5   4.805  -4.420  -3.241
   31   2HD   PRO   5          1HD       PRO   5   3.730  -5.525  -4.126
   32    H    SER   6           H        SER   6   6.003  -5.413  -0.909
   33    HA   SER   6           HA       SER   6   7.936  -6.833   0.810
   34   1HB   SER   6          2HB       SER   6   8.908  -4.512  -0.855
   35   2HB   SER   6          1HB       SER   6   9.861  -5.726  -0.005
   36    HG   SER   6           HG       SER   6   9.874  -6.648  -1.902
   37    H    ILE   7           H        ILE   7   8.565  -5.539   2.646
   38    HA   ILE   7           HA       ILE   7   6.611  -3.703   3.626
   39    HB   ILE   7           HB       ILE   7   9.522  -4.072   4.412
   40   1HG1  ILE   7          2HG1      ILE   7   7.005  -5.610   5.102
   41   2HG1  ILE   7          1HG1      ILE   7   8.502  -6.240   4.415
   42   1HG2  ILE   7          1HG2      ILE   7   9.065  -2.897   6.312
   43   2HG2  ILE   7          2HG2      ILE   7   7.424  -3.532   6.429
   44   3HG2  ILE   7          3HG2      ILE   7   7.777  -2.192   5.337
   45   1HD1  ILE   7          1HD1      ILE   7   8.886  -6.812   6.608
   46   2HD1  ILE   7          2HD1      ILE   7   7.870  -5.515   7.233
   47   3HD1  ILE   7          3HD1      ILE   7   9.502  -5.161   6.668
   48    H    VAL   8           H        VAL   8   9.550  -3.241   1.751
   49    HA   VAL   8           HA       VAL   8   9.908  -0.428   2.203
   50    HB   VAL   8           HB       VAL   8  10.585  -2.256  -0.125
   51   1HG1  VAL   8          1HG1      VAL   8  10.634   0.223  -0.637
   52   2HG1  VAL   8          2HG1      VAL   8  12.189  -0.591  -0.806
   53   3HG1  VAL   8          3HG1      VAL   8  11.858   0.390   0.621
   54   1HG2  VAL   8          1HG2      VAL   8  12.543  -2.784   1.008
   55   2HG2  VAL   8          2HG2      VAL   8  11.439  -2.593   2.369
   56   3HG2  VAL   8          3HG2      VAL   8  12.536  -1.283   1.932
   57    H    ALA   9           H        ALA   9   8.232  -2.210  -0.422
   58    HA   ALA   9           HA       ALA   9   7.338   0.047  -1.904
   59   1HB   ALA   9          1HB       ALA   9   5.847  -2.555  -1.467
   60   2HB   ALA   9          2HB       ALA   9   7.293  -2.445  -2.471
   61   3HB   ALA   9          3HB       ALA   9   5.842  -1.544  -2.912
   62    H    ARG  10           H        ARG  10   5.666  -1.797   0.670
   63    HA   ARG  10           HA       ARG  10   3.364  -0.062   0.775
   64   1HB   ARG  10          2HB       ARG  10   3.068  -2.231   1.598
   65   2HB   ARG  10          1HB       ARG  10   4.639  -2.249   2.391
   66   1HG   ARG  10          2HG       ARG  10   2.942  -0.169   3.500
   67   2HG   ARG  10          1HG       ARG  10   2.168  -1.751   3.605
   68   1HD   ARG  10          2HD       ARG  10   5.035  -1.800   4.282
   69   2HD   ARG  10          1HD       ARG  10   4.042  -0.845   5.396
   70    HE   ARG  10           HE       ARG  10   3.755  -3.740   4.880
   71   1HH1  ARG  10          1HH1      ARG  10   3.726  -1.949   7.482
   72   2HH1  ARG  10          2HH1      ARG  10   2.100  -2.243   8.000
   73   1HH2  ARG  10          1HH2      ARG  10   1.112  -3.641   4.984
   74   2HH2  ARG  10          2HH2      ARG  10   0.619  -3.202   6.585
   75    H    SER  11           H        SER  11   6.453  -0.221   2.497
   76    HA   SER  11           HA       SER  11   6.070   1.584   4.595
   77   1HB   SER  11          2HB       SER  11   8.288   0.697   2.836
   78   2HB   SER  11          1HB       SER  11   8.579   2.191   3.723
   79    HG   SER  11           HG       SER  11   7.724   0.899   5.586
   80    H    ASN  12           H        ASN  12   6.699   2.290   1.157
   81    HA   ASN  12           HA       ASN  12   6.811   5.179   1.505
   82   1HB   ASN  12          2HB       ASN  12   6.031   3.759  -1.038
   83   2HB   ASN  12          1HB       ASN  12   7.041   5.189  -0.840
   84   1HD2  ASN  12          1HD2      ASN  12   7.321   2.078  -1.774
   85   2HD2  ASN  12          2HD2      ASN  12   8.876   1.717  -1.205
   86    H    PHE  13           H        PHE  13   4.347   2.946   0.186
   87    HA   PHE  13           HA       PHE  13   2.257   4.664  -0.388
   88   1HB   PHE  13          2HB       PHE  13   1.749   2.458  -0.804
   89   2HB   PHE  13          1HB       PHE  13   2.606   1.890   0.626
   90    HD1  PHE  13           1HD      PHE  13   1.508   1.977   2.863
   91    HD2  PHE  13           2HD      PHE  13  -0.578   2.997  -0.742
   92    HE1  PHE  13           1HE      PHE  13  -0.656   1.766   4.058
   93    HE2  PHE  13           2HE      PHE  13  -2.739   2.784   0.446
   94    HZ   PHE  13           HZ       PHE  13  -2.782   2.170   2.848
   95    H    ASN  14           H        ASN  14   2.977   3.286   2.837
   96    HA   ASN  14           HA       ASN  14   0.939   4.736   4.251
   97   1HB   ASN  14          2HB       ASN  14   1.768   3.456   5.955
   98   2HB   ASN  14          1HB       ASN  14   2.822   2.742   4.741
   99   1HD2  ASN  14          1HD2      ASN  14   4.907   2.652   5.560
  100   2HD2  ASN  14          2HD2      ASN  14   5.661   3.872   6.467
  101    H    VAL  15           H        VAL  15   4.310   5.345   3.492
  102    HA   VAL  15           HA       VAL  15   4.750   7.745   4.932
  103    HB   VAL  15           HB       VAL  15   5.898   6.086   2.858
  104   1HG1  VAL  15          1HG1      VAL  15   7.299   7.983   1.844
  105   2HG1  VAL  15          2HG1      VAL  15   6.027   9.065   2.410
  106   3HG1  VAL  15          3HG1      VAL  15   5.651   7.798   1.243
  107   1HG2  VAL  15          1HG2      VAL  15   7.109   8.173   4.683
  108   2HG2  VAL  15          2HG2      VAL  15   7.989   6.895   3.846
  109   3HG2  VAL  15          3HG2      VAL  15   6.823   6.486   5.104
  110    H    CYS  16           H        CYS  16   2.959   7.066   2.012
  111    HA   CYS  16           HA       CYS  16   2.755   9.886   1.190
  112   1HB   CYS  16          2HB       CYS  16   2.822   8.414  -0.613
  113   2HB   CYS  16          1HB       CYS  16   1.920   7.168   0.243
  114    H    ARG  17           H        ARG  17   1.096   7.723   3.290
  115    HA   ARG  17           HA       ARG  17  -1.519   9.062   3.132
  116   1HB   ARG  17          2HB       ARG  17  -1.258   6.644   3.566
  117   2HB   ARG  17          1HB       ARG  17  -0.309   6.999   5.008
  118   1HG   ARG  17          2HG       ARG  17  -2.403   6.677   5.954
  119   2HG   ARG  17          1HG       ARG  17  -2.451   8.415   5.671
  120   1HD   ARG  17          2HD       ARG  17  -3.792   8.175   3.723
  121   2HD   ARG  17          1HD       ARG  17  -3.453   6.437   3.609
  122    HE   ARG  17           HE       ARG  17  -4.579   6.650   6.100
  123   1HH1  ARG  17          1HH1      ARG  17  -5.454   7.667   2.920
  124   2HH1  ARG  17          2HH1      ARG  17  -7.154   7.665   3.245
  125   1HH2  ARG  17          1HH2      ARG  17  -6.795   6.707   6.556
  126   2HH2  ARG  17          2HH2      ARG  17  -7.912   7.128   5.302
  127    H    LEU  18           H        LEU  18   1.463   9.712   4.572
  128    HA   LEU  18           HA       LEU  18   0.887  10.650   7.155
  129   1HB   LEU  18          2HB       LEU  18   2.932  10.696   5.170
  130   2HB   LEU  18          1HB       LEU  18   2.763  12.328   5.796
  131    HG   LEU  18           HG       LEU  18   3.356   9.797   7.326
  132   1HD1  LEU  18          1HD1      LEU  18   4.808  12.217   6.488
  133   2HD1  LEU  18          2HD1      LEU  18   5.434  10.634   6.951
  134   3HD1  LEU  18          3HD1      LEU  18   5.020  11.816   8.192
  135   1HD2  LEU  18          1HD2      LEU  18   1.992  10.664   8.940
  136   2HD2  LEU  18          2HD2      LEU  18   1.984  12.269   8.208
  137   3HD2  LEU  18          3HD2      LEU  18   3.338  11.770   9.223
  138    HA   PRO  19           HA       PRO  19  -0.061  14.938   5.225
  139   1HB   PRO  19          2HB       PRO  19  -0.577  15.035   2.537
  140   2HB   PRO  19          1HB       PRO  19   1.046  15.250   3.224
  141   1HG   PRO  19          2HG       PRO  19  -0.170  12.844   1.964
  142   2HG   PRO  19          1HG       PRO  19   1.477  13.476   1.830
  143   1HD   PRO  19          2HD       PRO  19   0.813  11.373   3.412
  144   2HD   PRO  19          1HD       PRO  19   2.163  12.469   3.772
  145    H    GLY  20           H        GLY  20  -1.642  12.057   3.988
  146   1HA   GLY  20          2HA       GLY  20  -4.003  11.812   4.913
  147   2HA   GLY  20          1HA       GLY  20  -4.277  13.441   4.292
  148    H    THR  21           H        THR  21  -2.249  11.450   2.358
  149    HA   THR  21           HA       THR  21  -3.951  11.589   0.095
  150    HB   THR  21           HB       THR  21  -1.727   9.623   0.600
  151    HG1  THR  21           1HG      THR  21  -1.673  12.415   0.320
  152   1HG2  THR  21          1HG2      THR  21  -2.785  11.092  -1.819
  153   2HG2  THR  21          2HG2      THR  21  -2.784   9.353  -1.530
  154   3HG2  THR  21          3HG2      THR  21  -1.268  10.201  -1.828
  155    HA   PRO  22           HA       PRO  22  -6.388   8.016   0.859
  156   1HB   PRO  22          2HB       PRO  22  -7.283   7.674  -1.706
  157   2HB   PRO  22          1HB       PRO  22  -7.908   8.928  -0.619
  158   1HG   PRO  22          2HG       PRO  22  -5.959   9.156  -2.849
  159   2HG   PRO  22          1HG       PRO  22  -7.199  10.301  -2.314
  160   1HD   PRO  22          2HD       PRO  22  -4.517  10.535  -1.721
  161   2HD   PRO  22          1HD       PRO  22  -5.811  11.255  -0.758
  162    H    GLU  23           H        GLU  23  -5.494   6.068   1.085
  163    HA   GLU  23           HA       GLU  23  -3.191   4.938   0.271
  164   1HB   GLU  23          2HB       GLU  23  -4.560   2.725   0.169
  165   2HB   GLU  23          1HB       GLU  23  -4.622   3.670   1.656
  166   1HG   GLU  23          2HG       GLU  23  -6.643   4.615  -0.172
  167   2HG   GLU  23          1HG       GLU  23  -6.798   2.871   0.036
  168    H    ALA  24           H        ALA  24  -5.990   5.345  -1.852
  169    HA   ALA  24           HA       ALA  24  -5.236   3.686  -4.019
  170   1HB   ALA  24          1HB       ALA  24  -6.690   6.323  -3.744
  171   2HB   ALA  24          2HB       ALA  24  -7.378   4.721  -4.009
  172   3HB   ALA  24          3HB       ALA  24  -6.513   5.535  -5.313
  173    H    LEU  25           H        LEU  25  -4.398   7.114  -3.368
  174    HA   LEU  25           HA       LEU  25  -2.696   7.438  -5.658
  175   1HB   LEU  25          2HB       LEU  25  -3.733   8.852  -3.403
  176   2HB   LEU  25          1HB       LEU  25  -1.993   9.104  -3.450
  177    HG   LEU  25           HG       LEU  25  -3.287  10.777  -4.785
  178   1HD1  LEU  25          1HD1      LEU  25  -1.321   8.922  -6.131
  179   2HD1  LEU  25          2HD1      LEU  25  -1.013  10.508  -5.421
  180   3HD1  LEU  25          3HD1      LEU  25  -1.917  10.376  -6.929
  181   1HD2  LEU  25          1HD2      LEU  25  -3.720   8.930  -7.016
  182   2HD2  LEU  25          2HD2      LEU  25  -4.806  10.143  -6.341
  183   3HD2  LEU  25          3HD2      LEU  25  -4.710   8.543  -5.608
  184    H    CYS  26           H        CYS  26  -2.070   6.601  -2.244
  185    HA   CYS  26           HA       CYS  26   0.811   6.548  -2.491
  186   1HB   CYS  26          2HB       CYS  26  -0.922   5.050  -0.513
  187   2HB   CYS  26          1HB       CYS  26   0.708   5.663  -0.264
  188    H    ALA  27           H        ALA  27  -1.701   4.192  -3.192
  189    HA   ALA  27           HA       ALA  27   0.322   2.033  -3.399
  190   1HB   ALA  27          1HB       ALA  27  -2.490   2.254  -2.822
  191   2HB   ALA  27          2HB       ALA  27  -1.461   0.833  -2.678
  192   3HB   ALA  27          3HB       ALA  27  -2.271   1.183  -4.204
  193    H    THR  28           H        THR  28  -0.842   4.448  -5.246
  194    HA   THR  28           HA       THR  28  -0.749   2.957  -7.825
  195    HB   THR  28           HB       THR  28  -1.962   5.441  -6.712
  196    HG1  THR  28           1HG      THR  28  -2.818   3.237  -7.634
  197   1HG2  THR  28          1HG2      THR  28  -0.775   6.625  -8.327
  198   2HG2  THR  28          2HG2      THR  28  -2.246   6.195  -9.200
  199   3HG2  THR  28          3HG2      THR  28  -0.766   5.271  -9.457
  200    H    TYR  29           H        TYR  29   0.926   5.194  -5.781
  201    HA   TYR  29           HA       TYR  29   2.817   6.048  -7.904
  202   1HB   TYR  29          2HB       TYR  29   2.069   7.746  -6.387
  203   2HB   TYR  29          1HB       TYR  29   2.322   6.705  -4.988
  204    HD1  TYR  29           1HD      TYR  29   4.102   7.424  -3.676
  205    HD2  TYR  29           2HD      TYR  29   4.405   7.686  -7.950
  206    HE1  TYR  29           1HE      TYR  29   6.418   8.285  -3.456
  207    HE2  TYR  29           2HE      TYR  29   6.721   8.549  -7.734
  208    HH   TYR  29           HH       TYR  29   8.574   8.218  -5.208
  209    H    THR  30           H        THR  30   2.548   3.950  -5.122
  210    HA   THR  30           HA       THR  30   5.423   3.201  -5.320
  211    HB   THR  30           HB       THR  30   3.916   3.890  -3.200
  212    HG1  THR  30           1HG      THR  30   6.231   3.061  -3.518
  213   1HG2  THR  30          1HG2      THR  30   3.099   1.992  -2.003
  214   2HG2  THR  30          2HG2      THR  30   3.781   0.879  -3.187
  215   3HG2  THR  30          3HG2      THR  30   2.414   1.904  -3.626
  216    H    GLY  31           H        GLY  31   2.200   2.041  -6.001
  217   1HA   GLY  31          2HA       GLY  31   2.018   0.168  -7.609
  218   2HA   GLY  31          1HA       GLY  31   3.411  -0.569  -6.822
  219    H    CYS  32           H        CYS  32   2.480  -0.068  -4.102
  220    HA   CYS  32           HA       CYS  32   1.225  -2.405  -3.375
  221   1HB   CYS  32          2HB       CYS  32   0.750   0.385  -2.281
  222   2HB   CYS  32          1HB       CYS  32   0.392  -1.105  -1.414
  223    H    ILE  33           H        ILE  33  -1.037  -2.930  -2.829
  224    HA   ILE  33           HA       ILE  33  -3.061  -1.384  -4.410
  225    HB   ILE  33           HB       ILE  33  -3.997  -3.658  -5.002
  226   1HG1  ILE  33          2HG1      ILE  33  -1.333  -4.572  -3.864
  227   2HG1  ILE  33          1HG1      ILE  33  -2.916  -4.904  -3.159
  228   1HG2  ILE  33          1HG2      ILE  33  -1.231  -3.752  -6.043
  229   2HG2  ILE  33          2HG2      ILE  33  -2.037  -2.193  -6.221
  230   3HG2  ILE  33          3HG2      ILE  33  -2.761  -3.642  -6.915
  231   1HD1  ILE  33          1HD1      ILE  33  -3.226  -6.650  -4.546
  232   2HD1  ILE  33          2HD1      ILE  33  -1.569  -6.434  -5.108
  233   3HD1  ILE  33          3HD1      ILE  33  -2.896  -5.642  -5.955
  234    H    ILE  34           H        ILE  34  -5.122  -1.303  -3.434
  235    HA   ILE  34           HA       ILE  34  -5.256  -2.365  -0.642
  236    HB   ILE  34           HB       ILE  34  -6.688  -0.090  -2.045
  237   1HG1  ILE  34          2HG1      ILE  34  -5.033   0.758   0.101
  238   2HG1  ILE  34          1HG1      ILE  34  -4.066  -0.326  -0.892
  239   1HG2  ILE  34          1HG2      ILE  34  -8.047   0.011  -0.253
  240   2HG2  ILE  34          2HG2      ILE  34  -6.658   0.044   0.835
  241   3HG2  ILE  34          3HG2      ILE  34  -7.344  -1.499   0.325
  242   1HD1  ILE  34          1HD1      ILE  34  -3.942   2.050  -1.655
  243   2HD1  ILE  34          2HD1      ILE  34  -5.677   2.005  -1.968
  244   3HD1  ILE  34          3HD1      ILE  34  -4.588   0.968  -2.889
  245    H    ILE  35           H        ILE  35  -7.132  -3.486   0.017
  246    HA   ILE  35           HA       ILE  35  -9.296  -3.925  -1.973
  247    HB   ILE  35           HB       ILE  35  -8.968  -6.260  -2.070
  248   1HG1  ILE  35          2HG1      ILE  35  -8.768  -6.542   0.409
  249   2HG1  ILE  35          1HG1      ILE  35  -7.610  -7.528  -0.485
  250   1HG2  ILE  35          1HG2      ILE  35  -6.110  -5.354  -1.713
  251   2HG2  ILE  35          2HG2      ILE  35  -7.078  -4.845  -3.097
  252   3HG2  ILE  35          3HG2      ILE  35  -6.744  -6.557  -2.836
  253   1HD1  ILE  35          1HD1      ILE  35  -6.244  -6.566   1.144
  254   2HD1  ILE  35          2HD1      ILE  35  -7.129  -5.041   1.127
  255   3HD1  ILE  35          3HD1      ILE  35  -6.039  -5.442  -0.200
  256    HA   PRO  36           HA       PRO  36 -11.659  -3.714   1.733
  257   1HB   PRO  36          2HB       PRO  36 -13.959  -4.921   0.860
  258   2HB   PRO  36          1HB       PRO  36 -13.491  -3.275   0.387
  259   1HG   PRO  36          2HG       PRO  36 -13.237  -5.822  -1.128
  260   2HG   PRO  36          1HG       PRO  36 -13.658  -4.202  -1.703
  261   1HD   PRO  36          2HD       PRO  36 -11.183  -5.316  -2.004
  262   2HD   PRO  36          1HD       PRO  36 -11.471  -3.565  -1.908
  263    H    GLY  37           H        GLY  37  -9.958  -5.483   2.455
  264   1HA   GLY  37          2HA       GLY  37 -10.954  -7.371   4.098
  265   2HA   GLY  37          1HA       GLY  37 -11.054  -8.211   2.549
  266    H    ALA  38           H        ALA  38  -9.319  -8.678   4.951
  267    HA   ALA  38           HA       ALA  38  -6.580  -8.081   4.039
  268   1HB   ALA  38          1HB       ALA  38  -7.488  -9.895   6.274
  269   2HB   ALA  38          2HB       ALA  38  -7.526  -8.137   6.426
  270   3HB   ALA  38          3HB       ALA  38  -5.991  -8.967   6.166
  271    H    THR  39           H        THR  39  -8.460  -9.922   2.503
  272    HA   THR  39           HA       THR  39  -7.256 -12.584   2.755
  273    HB   THR  39           HB       THR  39  -9.676 -11.662   2.098
  274    HG1  THR  39           1HG      THR  39 -10.063 -13.712   1.718
  275   1HG2  THR  39          1HG2      THR  39  -8.329 -12.144  -0.567
  276   2HG2  THR  39          2HG2      THR  39  -8.854 -10.571   0.037
  277   3HG2  THR  39          3HG2      THR  39 -10.045 -11.824  -0.314
  278    H    CYS  40           H        CYS  40  -5.909  -9.970   1.702
  279    HA   CYS  40           HA       CYS  40  -5.134  -9.945  -0.921
  280   1HB   CYS  40          2HB       CYS  40  -3.746  -9.551   1.688
  281   2HB   CYS  40          1HB       CYS  40  -2.731  -9.601   0.246
  282    HA   PRO  41           HA       PRO  41  -3.268 -13.763  -1.991
  283   1HB   PRO  41          2HB       PRO  41  -1.241 -12.954  -3.645
  284   2HB   PRO  41          1HB       PRO  41  -2.954 -12.907  -4.114
  285   1HG   PRO  41          2HG       PRO  41  -1.196 -10.703  -3.147
  286   2HG   PRO  41          1HG       PRO  41  -2.424 -10.690  -4.423
  287   1HD   PRO  41          2HD       PRO  41  -2.863  -9.688  -1.937
  288   2HD   PRO  41          1HD       PRO  41  -4.151 -10.389  -2.942
  289    H    GLY  42           H        GLY  42  -0.568 -14.328  -2.517
  290   1HA   GLY  42          2HA       GLY  42   0.654 -13.871   0.173
  291   2HA   GLY  42          1HA       GLY  42   0.925 -15.315  -0.803
  292    H    ASP  43           H        ASP  43   0.916 -12.960  -3.041
  293    HA   ASP  43           HA       ASP  43   3.881 -12.807  -3.055
  294   1HB   ASP  43          2HB       ASP  43   1.918 -13.226  -4.952
  295   2HB   ASP  43          1HB       ASP  43   2.324 -11.529  -5.204
  296    H    TYR  44           H        TYR  44   1.038 -10.746  -2.732
  297    HA   TYR  44           HA       TYR  44   2.839  -8.370  -2.391
  298   1HB   TYR  44          2HB       TYR  44  -0.135  -8.298  -2.912
  299   2HB   TYR  44          1HB       TYR  44   1.075  -7.073  -3.290
  300    HD1  TYR  44           1HD      TYR  44  -1.083  -8.817  -5.016
  301    HD2  TYR  44           2HD      TYR  44   3.186  -8.744  -4.558
  302    HE1  TYR  44           1HE      TYR  44  -0.823  -9.771  -7.289
  303    HE2  TYR  44           2HE      TYR  44   3.447  -9.697  -6.833
  304    HH   TYR  44           HH       TYR  44   0.600 -10.399  -8.867
  305    H    ALA  45           H        ALA  45   1.887 -10.529  -0.413
  306    HA   ALA  45           HA       ALA  45   0.136  -9.028   1.427
  307   1HB   ALA  45          1HB       ALA  45   1.406 -11.752   1.274
  308   2HB   ALA  45          2HB       ALA  45  -0.305 -11.332   1.335
  309   3HB   ALA  45          3HB       ALA  45   0.687 -11.202   2.788
  310    H    ASN  46           H        ASN  46   2.854  -7.952   0.821
  311    HA   ASN  46           HA       ASN  46   4.123  -8.212   3.527
  312   1HB   ASN  46          2HB       ASN  46   5.060  -8.202   0.775
  313   2HB   ASN  46          1HB       ASN  46   5.873  -6.956   1.722
  314   1HD2  ASN  46          1HD2      ASN  46   5.919  -8.228   4.268
  315   2HD2  ASN  46          2HD2      ASN  46   6.905  -9.605   4.174