*HEADER    TRANSCRIPTION                           06-JAN-03   1NLA              
*TITLE     SOLUTION STRUCTURE OF SWITCH ARC, A MUTANT WITH 3(10)                 
*TITLE    2 HELICES REPLACING A WILD-TYPE BETA-RIBBON                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTIONAL REPRESSOR ARC;                             
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE P22;                              
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 GENE: ARC;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET800                                    
*KEYWDS    3(10) HELIX, BETA-RIBBON, BETA-SHEET, STRUCTURAL SWITCHING            
*EXPDTA    NMR, 13 STRUCTURES                                                    
*AUTHOR    M.H.CORDES, N.P.WALSH, C.J.MCKNIGHT, R.T.SAUER                        
*REVDAT   1   18-MAR-03 1NLA    0                                                
{*Restraints from 2d 50 ms noesy*}
{*Phe 45*}
assign (resid 45 and name he#) (resid 22 and name hg2#)   2.8 1.0 0.0 
assign (resid 45 and name he#) (resid 25 and name hg1#)   3.3 1.5 0.0 
assign (resid 45 and name he#) (resid 41 and name hg1#)   2.8 1.0 0.0 
assign (resid 45 and name hz)  (resid 41 and name hg1#)   3.8 2.0 0.0 
assign (resid 45 and name hz)  (resid 25 and name hg1#)   3.3 1.5 0.0 
assign (resid 45 and name hz)  (resid 25 and name hg2#
                            or  resid 22 and name hg1#)   2.8 1.0 0.0 
assign (resid 45 and name ha)   (resid 45 and name hd#)   2.8 1.0 0.0 
assign (resid 45 and name hd#) (resid 18 and name hg##
                           or   resid 22 and name hg1#)   3.3 1.5 0.0 
assign (resid 45 and name hd#) (resid 50 and name hb#
                            or  resid 50 and name hg#)    3.3 1.5 0.0 
assign (resid 45 and name hd#) (resid 41 and name hg1#)   3.3 1.5 0.0 
assign (resid 45 and name hd#) (resid 51 and name hg2#
                           or   resid 51 and name hd1#)   3.3 1.5 0.0 
assign (resid 45 and name hb#) (resid 51 and name hg2#
                           or   resid 51 and name hd1#)   3.3 1.5 0.0 
assign (resid 45 and name hd#) (resid 21 and name hd2#)   3.3 1.5 0.0 
assign (resid 45 and name he#) (resid 21 and name hd2#)   3.8 2.0 0.0 
assign (resid 45 and name hz)  (resid 21 and name hd2#)   3.8 2.0 0.0 
assign (resid 45 and name hz)  (resid 25 and name hb)     3.8 2.0 0.0 
assign (resid 46 and name hn)  (resid 51 and name hg2#
                           or   resid 51 and name hd1#)   3.8 2.0 0.0 
assign (resid 46 and name he#) (resid 51 and name hd1#
                            or  resid 51 and name hg2#)   3.8 2.0 0.0 
assign (resid 45 and name hz)  (resid 22 and name ha)     2.8 1.0 0.0 
assign (resid 45 and name hn
     or resid 51 and name hn) (resid 21 and name hd2#)    3.8 2.0 0.0 
assign (resid 45 and name hn)  (resid 51 and name hg2#
                           or   resid 51 and name hd1#)   4.3 2.5 0.0 
{*Tyr 38*}
assign (resid 38 and name he#) (resid 18 and name hg##)  2.8 1.0 0.0 
assign (resid 38 and name hd#) (resid 18 and name hg##)  3.8 2.0 0.0 
assign (resid 38 and name he#) (resid 15 and name hd#)   3.3 1.5 0.0 
assign (resid 38 and name hn)  (resid 38 and name hd#)   3.8 2.0 0.0 
assign (resid 38 and name hb#) (resid 14 and name he1)   3.8 2.0 0.0 
assign (resid 38 and name he#) (resid 42 and name hg#
                            or  resid 42 and name he#)   3.8 2.0 0.0 
assign (resid 38 and name he#) (resid 15 and name hg#)   4.3 2.5 0.0 
assign (resid 38 and name hd#) (resid 14 and name he3)   3.8 2.0 0.0 
assign (resid 38 and name he#) (resid 14 and name he3)   3.8 2.0 0.0 

{*Trp 14 to non-switch region residues*}
assign (resid 14 and name hn)  (resid 19 and name hd##)  3.8 2.0 0.0 
assign (resid 14 and name hh2) (resid 37 and name hg2#)  2.8 1.0 0.0 
assign (resid 14 and name hh2) (resid 37 and name hd1#)  3.3 1.5 0.0 
assign (resid 14 and name hh2) (resid 41 and name hg1#)  3.3 1.5 0.0 
assign (resid 14 and name hh2) (resid 41 and name hg2#)  2.8 1.0 0.0 
assign (resid 14 and name hh2) (resid 37 and name hg1#
                           or   resid 41 and name hb)    3.8 2.0 0.0 
assign (resid 14 and name hz3) (resid 41 and name hg1#)  3.3 1.5 0.0 
assign (resid 14 and name hz3) (resid 41 and name hg2#)  3.8 2.0 0.0 
assign (resid 14 and name hz3) (resid 37 and name hg2#)  3.3 1.5 0.0 
assign (resid 14 and name hz3) (resid 37 and name hg1#
                           or   resid 41 and name hb)    3.8 2.0 0.0 
assign (resid 14 and name hz3) (resid 37 and name hg1#
                           or   resid 22 and name hg2#)  3.3 1.5 0.0 
assign (resid 14 and name hz3) (resid 18 and name hg##
                           or   resid 22 and name hg1#)  3.3 1.5 0.0 
assign (resid 14 and name he3) (resid 18 and name hg##
                           or   resid 22 and name hg1#)  2.8 1.0 0.0 
assign (resid 14 and name he3) (resid 19 and name hd##)  2.8 1.0 0.0 
assign (resid 14 and name he3) (resid 41 and name hg1#)  3.8 2.0 0.0 
assign (resid 14 and name he3) (resid 19 and name hg)    3.8 2.0 0.0 
assign (resid 14 and name he3) (resid 19 and name ha)    3.8 2.0 0.0 
assign (resid 14 and name he3) (resid 18 and name hb
                           or   resid 38 and name hb#)   3.8 2.0 0.0 
assign (resid 14 and name he3) (resid 22 and name hg2#)  3.8 2.0 0.0 
assign (resid 14 and name hz2) (resid 41 and name hg2#)  3.3 1.5 0.0 
assign (resid 14 and name hz2) (resid 41 and name hg1#)  3.8 2.0 0.0 
assign (resid 14 and name hz2) (resid 37 and name hd1#)  3.8 2.0 0.0 
assign (resid 14 and name hz2) (resid 37 and name hg2#)  2.8 1.0 0.0 
assign (resid 14 and name hz2) (resid 37 and name hg1#
                           or   resid 41 and name hb)    3.8 2.0 0.0 
assign (resid 14 and name hz2) (resid 37 and name hb)    4.3 2.5 0.0 
assign (resid 14 and name hz2) (resid 38 and name hb#)   3.8 2.0 0.0 
assign (resid 14 and name he1) (resid 34 and name hd2#)  4.3 2.5 0.0 
assign (resid 14 and name he1) (resid 37 and name hg2#)  4.3 2.5 0.0 

{*other long range not involving switch region*}
assign (resid 23 and name ha)  (resid 33 and name hg2#)  2.8 1.0 0.0 
assign (resid 40 and name he)  (resid 25 and name hg1#)  3.8 2.0 0.0 
assign (resid 40 and name he)  (resid 25 and name hg2#)  3.8 2.0 0.0 
assign (resid 40 and name he)  (resid 36 and name hg1)   3.8 2.0 0.0 
assign (resid 40 and name he)  (resid 36 and name hg2)   3.8 2.0 0.0 
assign (resid 33 and name hn)  (resid 26 and name hb#)   3.8 2.0 0.0 
assign (resid 33 and name ha)  (resid 26 and name hb#)   2.8 1.0 0.0 
assign (resid 21 and name hd2#) (resid 50 and name hb#
                            or  resid 50 and name hg#)    3.8 2.0 0.0 
assign (resid 21 and name hd1#) (resid 50 and name hb#
                            or  resid 50 and name hg#)    3.8 2.0 0.0 
assign (resid 29 and name hd2#)  (resid 25 and name hg1#) 3.8 2.0 0.0 
assign (resid 39 and name he2#)  (resid 42 and name hg#
                            or    resid 42 and name he#)  4.3 2.5 0.0 
assign (resid 36 and name hn)  (resid 26 and name hb#)    3.8 2.0 0.0 
assign (resid 33 and name hg1#) (resid 26 and name hb#)   3.3 1.5 0.0 
assign (resid 18 and name hg##) (resid 42 and name hg#
                           or   resid 42 and name he#)  3.3 1.5 0.0 

{*alpha to sidechain in helix*}
assign (resid 23 and name ha)  (resid 26 and name hb#)  3.3 1.5 0.0 
assign (resid 34 and name ha)  (resid 37 and name hb)   4.3 2.5 0.0 
assign (resid 16 and name ha)  (resid 19 and name hd##) 3.8 2.0 0.0 
assign (resid 18 and name ha)  (resid 21 and name hb1)  3.8 2.0 0.0 
assign (resid 18 and name ha)  (resid 21 and name hb2)  3.8 2.0 0.0 
assign (resid 39 and name ha)  (resid 42 and name hb1)  3.3 1.5 0.0 
assign (resid 39 and name ha)  (resid 42 and name hb2)  3.3 1.5 0.0 
assign (resid 39 and name ha)  (resid 42 and name hg#
                             or resid 42 and name he#)  3.8 2.0 0.0 
assign (resid 42 and name ha)  (resid 45 and name hd#)  3.3 1.5 0.0 
assign (resid 42 and name ha)  (resid 51 and name hg2#
                           or   resid 51 and name hd1#) 4.3 2.5 0.0 
assign (resid 22 and name ha)  (resid 25 and name hb)   3.8 2.0 0.0 
assign (resid 22 and name ha)  (resid 25 and name hg1#) 3.8 2.0 0.0 
assign (resid 37 and name ha)  (resid 40 and name hb1)  4.3 2.5 0.0 
assign (resid 37 and name ha)  (resid 40 and name hb2)  4.3 2.5 0.0 
assign (resid 37 and name ha)  (resid 37 and name hd1#) 3.3 1.5 0.0 
assign (resid 37 and name ha)  (resid 41 and name hg2#) 3.3 1.5 0.0 
assign (resid 33 and name ha)  (resid 36 and name hb#)  3.8 2.0 0.0 

{*involving switch region*}
assign (resid 14 and name hd1) (resid 14 and name ha)    2.8 1.0 0.0 
assign (resid 10 and name hd#) (resid 10 and name ha)    2.8 1.0 0.0 
assign (resid 10 and name hd#) (resid 10 and name hn)    3.8 2.0 0.0 
assign (resid  9 and name hn)  (resid  9 and name hg#)   3.8 2.0 0.0 
assign (resid 10 and name hn) (resid 11 and name hn)     3.8 2.0 0.0 
assign (resid 14 and name hz2) (resid 10 and name he#)    3.3 1.5 0.0 
assign (resid 14 and name he1) (resid 10 and name he#
                             or resid 10 and name hz)    4.3 2.5 0.0 
assign (resid 34 and name ha)   (resid 10 and name he#
                             or resid 10 and name hz)    3.3 1.5 0.0 
assign (resid 11 and name hg) (resid 11 and name hn)     3.3 1.5 0.0 
assign (resid 11 and name hg) (resid 11 and name ha)     3.8 2.0 0.0 
assign (resid 11 and name hd2#) (resid 11 and name ha)   2.8 1.0 0.0 
assign (resid 14 and name hn) (resid 14 and name hb1)    3.3 1.5 0.0 
assign (resid 14 and name hn) (resid 14 and name hb2)    3.3 1.5 0.0 
assign (resid 14 and name hn) (resid 14 and name hd1)    2.8 1.0 0.0 
assign (resid 14 and name he3) (resid 14 and name hb1)   3.3 1.5 0.0 
assign (resid 14 and name he3) (resid 14 and name hb2)   3.3 1.5 0.0 
assign (resid 11 and name hg) (resid 10 and name hd#)    3.3 1.5 0.0 
assign (resid 11 and name hd2#) (resid 10 and name hd#)  2.8 1.0 0.0 
assign (resid 11 and name hd1#) (resid 10 and name hd#)  3.3 1.5 0.0 
assign (resid  8 and name hb2) (resid 11 and name hn)    4.3 2.5 0.0 
assign (resid  8 and name ha)  (resid  9 and name hn)    2.8 1.0 0.0 
assign (resid  8 and name hb1) (resid  9 and name hn)    3.8 2.0 0.0 
assign (resid  8 and name hb2) (resid  9 and name hn)    3.8 2.0 0.0 
assign (resid  8 and name hd#) (resid 11 and name hd1#)  3.3 1.5 0.0 
assign (resid  8 and name hg#) (resid 11 and name hd1#)  3.8 2.0 0.0 
assign (resid  7 and name hg#) (resid 19 and name hd##)  3.8 2.0 0.0 
assign (resid  7 and name hg#) (resid  8 and name hd#)   4.3 2.5 0.0 
assign (resid 11 and name hd1#) (resid 10 and name he#
                             or resid 10 and name hz)    2.8 1.0 0.0 
assign (resid 11 and name hd2#) (resid 10 and name he#
                             or resid 10 and name hz)    2.8 1.0 0.0 
assign (resid 11 and name hg)   (resid 10 and name he#
                             or resid 10 and name hz)    3.8 2.0 0.0 
assign (resid 37 and name hb)   (resid 10 and name he#
                             or resid 10 and name hz)    3.8 2.0 0.0 
assign (resid 37 and name hg2#) (resid 10 and name he#
                             or resid 10 and name hz)    2.8 1.0 0.0 
assign (resid 37 and name hd1#
     or resid 33 and name hg1#) (resid 10 and name he#
                              or resid 10 and name hz)   2.8 1.0 0.0 
assign (resid 37 and name hg2#) (resid 11 and name hd1#)  3.8 2.0 0.0 
assign (resid 37 and name hg2#) (resid 11 and name hd2#)  3.8 2.0 0.0 
assign (resid 37 and name hd1#) (resid 11 and name hd2#)  3.3 1.5 0.0 
assign (resid 19 and name hd##) (resid 11 and name hd1#)  2.8 1.0 0.0 
assign (resid 10 and name ha) (resid 34 and name hd2#)   4.3 2.5 0.0 
assign (resid 10 and name hd#) (resid  8 and name hb1)   3.8 2.0 0.0 
assign (resid 10 and name hd#) (resid  8 and name hb2)   3.8 2.0 0.0 
assign (resid 10 and name hd#) (resid  8 and name hg#)   4.3 2.5 0.0 
assign (resid 14 and name hh2) (resid 11 and name hd2#)  4.3 2.5 0.0 
assign (resid 14 and name hd1) (resid 11 and name hd2#)  4.3 2.5 0.0 
assign (resid 14 and name hz3) (resid 11 and name hd2#)  3.8 2.0 0.0 
assign (resid 14 and name he3) (resid 11 and name hd2#)  3.8 2.0 0.0 
assign (resid 14 and name hz2) (resid 11 and name hd2#)  3.8 2.0 0.0 
assign (resid 14 and name he1) (resid 11 and name hd2#)  4.3 2.5 0.0 
assign (resid 14 and name hd1) (resid 13 and name hb#)   4.3 2.5 0.0 
assign (resid 13 and name ha) (resid 14 and name hn)     3.3 1.5 0.0 

{*late addons*}
assign (resid 19 and name hd##) (resid 7 and name he#)   4.3 2.5 0.0 
assign (resid 11 and name hd1#) (resid 7 and name he#
                              or resid 13 and name hb#)  4.3 2.5 0.0 
assign (resid 11 and name hd1#) (resid  7 and name ha)   4.3 2.5 0.0 
assign (resid 11 and name hd1#) (resid  7 and name hg#)  4.3 2.5 0.0 
assign (resid 38 and name hd#)  (resid 14 and name hz2)  4.3 2.5 0.0 
assign (resid 38 and name hd#)  (resid 14 and name hz3)  4.3 2.5 0.0 
assign (resid 38 and name hd#)  (resid 39 and name ha)   4.3 2.5 0.0 
assign (resid 38 and name he#)  (resid 14 and name ha)   4.3 2.5 0.0 
assign (resid 14 and name he3)  (resid 14 and name ha)   4.3 2.5 0.0 
assign (resid 14 and name hd1)  (resid 15 and name hd#)  4.3 2.5 0.0 
assign (resid  8 and name ha)   (resid 10 and name hd#)  4.3 2.5 0.0 
assign (resid  8 and name hb2)  (resid 11 and name hd1#) 4.3 2.5 0.0 
assign (resid 10 and name hn)   (resid 11 and name hg)   4.3 2.5 0.0 
assign (resid 35 and name ha)   (resid 38 and name hd#)  4.3 2.5 0.0 
assign (resid 20 and name ha)   (resid 23 and name he)   4.3 2.5 0.0 
assign (resid 14 and name hz2)  (resid 34 and name ha
                              or resid 35 and name ha)   4.3 2.5 0.0 

{*other restraints from amides*}
assign (resid  6 and name hn)  (resid 5 and name ha)     2.8 1.0 0.0  
assign (resid  6 and name hn)  (resid 5 and name hb#)    3.3 1.5 0.0 
assign (resid  6 and name hn)  (resid 6 and name hg#)    3.8 2.0 0.0 
assign (resid  7 and name hn)  (resid 6 and name ha)     2.8 1.0 0.0 
assign (resid 16 and name hn)  (resid 19 and name hd##)  4.3 2.5 0.0 
assign (resid 16 and name hn)  (resid 15 and name hb1)   3.3 1.5 0.0 
assign (resid 16 and name hn)  (resid 15 and name ha)    2.8 1.0 0.0 
assign (resid 16 and name hn)  (resid 16 and name ha)    2.8 1.0 0.0 
assign (resid 16 and name hn)  (resid 16 and name hb1)   2.8 1.0 0.0 
assign (resid 16 and name hn)  (resid 16 and name hb2)   2.8 1.0 0.0 
assign (resid 16 and name hn)  (resid 16 and name hg#)   3.3 1.5 0.0 
assign (resid 17 and name hn)  (resid 17 and name ha)    2.8 1.0 0.0 
assign (resid 17 and name hn)  (resid 15 and name ha)    4.3 2.5 0.0 
assign (resid 17 and name hn)  (resid 18 and name hg##)  4.3 2.5 0.0 
assign (resid 17 and name hn)  (resid 16 and name hg#)   3.8 2.0 0.0 
assign (resid 18 and name hn)  (resid 15 and name hb2)   3.8 2.0 0.0 
assign (resid 18 and name hn)  (resid 19 and name hn)    2.8 1.0 0.0 
assign (resid 19 and name hn)  (resid 19 and name hg)    3.3 1.5 0.0 
assign (resid 19 and name hn)  (resid 19 and name hd##)  3.3 1.5 0.0 
assign (resid 19 and name hn)  (resid 22 and name hg2#)  3.8 2.0 0.0 
assign (resid 19 and name hn)  (resid 18 and name hb)    3.3 1.5 0.0 
assign (resid 19 and name hn)  (resid 18 and name hg##)  3.3 1.5 0.0 
assign (resid 17 and name ha
     or resid 19 and name ha)  (resid 20 and name hn)    3.3 1.5 0.0 
assign (resid 20 and name hn)  (resid 19 and name hb1)   3.8 2.0 0.0 
assign (resid 20 and name hn)  (resid 19 and name hb2)   3.8 2.0 0.0 
assign (resid 20 and name hn)  (resid 20 and name hb1)   3.3 1.5 0.0 
assign (resid 20 and name hn)  (resid 20 and name hb2)   3.3 1.5 0.0 
assign (resid 20 and name hn)  (resid 16 and name ha)    4.3 2.5 0.0 
assign (resid 22 and name hn)  (resid 19 and name ha)    3.8 2.0 0.0 
assign (resid 22 and name hn)  (resid 22 and name hg2#)  2.8 1.0 0.0 
assign (resid 23 and name hn)  (resid 22 and name hb)    3.3 1.5 0.0 
assign (resid 23 and name hn)  (resid 22 and name hg1#
                          or    resid 33 and name hg2#)  3.3 1.5 0.0 
assign (resid 23 and name hn)  (resid 22 and name hg2#)  3.8 2.0 0.0 
assign (resid 24 and name hn)  (resid 33 and name hg2#
                            or resid 25 and name hg2#)   4.3 2.5 0.0 
assign (resid 24 and name hn)  (resid 24 and name hg#)   3.8 2.0 0.0 
assign (resid 24 and name hn)  (resid 23 and name hg1)   4.3 2.5 0.0 
assign (resid 24 and name hn)  (resid 23 and name hg2)   4.3 2.5 0.0 
assign (resid 21 and name ha
     or resid 24 and name ha)  (resid 24 and name hn)    2.8 1.0 0.0 
assign (resid 24 and name ha
     or resid 27 and name ha)  (resid 27 and name hn)    2.8 1.0 0.0 
assign (resid 27 and name hn)  (resid 27 and name hg#)   3.8 2.0 0.0 
assign (resid 27 and name hn)  (resid 28 and name hn)    3.3 1.5 0.0 
assign (resid 28 and name hn)  (resid 25 and name ha)    3.3 1.5 0.0 
assign (resid 28 and name hn)  (resid 28 and name hg#)   3.3 1.5 0.0 
assign (resid 32 and name hn)  (resid 31 and name ha)    2.8 1.0 0.0 
assign (resid 33 and name hn)  (resid 32 and name ha)    2.8 1.0 0.0 
assign (resid 33 and name hn)  (resid 32 and name hb1)   3.8 2.0 0.0 
assign (resid 33 and name hn)  (resid 32 and name hb2)   3.8 2.0 0.0 
assign (resid 33 and name hn)  (resid 33 and name hb)    2.8 1.0 0.0 
assign (resid 33 and name hn)  (resid 33 and name hg2#)  2.8 1.0 0.0 
assign (resid 33 and name hn)  (resid 33 and name hg1#)  3.3 1.5 0.0 
assign (resid 35 and name hn)  (resid 34 and name ha
                           or   resid 35 and name ha)    2.8 1.0 0.0 
assign (resid 35 and name hn)  (resid 34 and name hb1)   3.8 2.0 0.0 
assign (resid 35 and name hn)  (resid 34 and name hb2)   3.8 2.0 0.0 
assign (resid 36 and name hn)  (resid 33 and name ha)    3.8 2.0 0.0 
assign (resid 36 and name hn)  (resid 36 and name hb1)   3.3 1.5 0.0 
assign (resid 36 and name hn)  (resid 36 and name hb2)   3.3 1.5 0.0 
assign (resid 37 and name hn)  (resid 37 and name hb)    3.3 1.5 0.0 
assign (resid 37 and name hn)  (resid 37 and name hd1#
                           or   resid 33 and name hg1#)  3.8 2.0 0.0 
assign (resid 38 and name hn)  (resid 38 and name hb1)   3.3 1.5 0.0 
assign (resid 38 and name hn)  (resid 38 and name hb2)   3.3 1.5 0.0 
assign (resid 38 and name hn)  (resid 35 and name ha
                            or  resid 34 and name ha)    3.3 1.5 0.0 
assign (resid 40 and name hn
    or  resid 44 and name hn)  (resid 42 and name hn)    3.8 2.0 0.0 
assign (resid 41 and name hn)  (resid 41 and name hg1#)  3.8 2.0 0.0 
assign (resid 41 and name hn)  (resid 41 and name hg2#)  2.8 1.0 0.0 
assign (resid 42 and name hn)  (resid 39 and name ha)    3.8 2.0 0.0 
assign (resid 42 and name hn)  (resid 41 and name hg1#)  3.8 2.0 0.0 
assign (resid 42 and name hn)  (resid 41 and name hg2#)  3.8 2.0 0.0 
assign (resid 42 and name hn)  (resid 41 and name hb)    2.8 1.0 0.0 
assign (resid 42 and name hn)  (resid 42 and name ha)    3.3 1.5 0.0 
assign (resid 42 and name hn)  (resid 42 and name hb1)   3.3 1.5 0.0 
assign (resid 42 and name hn)  (resid 42 and name hb2)   3.3 1.5 0.0 
assign (resid 42 and name hn)  (resid 42 and name hg#)   3.3 1.5 0.0 
assign (resid 43 and name hn)  (resid 43 and name hg1)   3.8 2.0 0.0 
assign (resid 43 and name hn)  (resid 43 and name hg2)   3.8 2.0 0.0 
assign (resid 45 and name hn)  (resid 46 and name hn)    2.8 1.0 0.0 
assign (resid 46 and name hn)  (resid 45 and name hb#)   3.3 1.5 0.0 
assign (resid 47 and name hn)  (resid 44 and name ha
                            or  resid 47 and name ha)    2.8 1.0 0.0 
assign (resid 52 and name hn)  (resid 51 and name hb)    3.3 1.5 0.0 

{*568 nOe restraints from 150 ms 3d noesy;3.1,4.2,5.3,6.4 A bounds*}
{*i,i+1 alpha-N*}
assign (resid  5 and name ha) (resid  6 and name hn)   3.0 1.2 0.1 
assign (resid  6 and name ha) (resid  7 and name hn)   3.0 1.2 0.1 
assign (resid  8 and name ha) (resid  9 and name hn)   3.0 1.2 0.1 
assign (resid 12 and name ha) (resid 13 and name hn)   4.0 2.2 0.2 
assign (resid 13 and name ha) (resid 14 and name hn)   4.0 2.2 0.2 
assign (resid 15 and name ha) (resid 16 and name hn)   3.0 1.2 0.1 
assign (resid 16 and name ha) (resid 17 and name hn)   4.0 2.2 0.2 
assign (resid 18 and name ha) (resid 19 and name hn)   4.0 2.2 0.2 
assign (resid 17 and name ha
    or  resid 19 and name ha) (resid 20 and name hn)   3.0 1.2 0.1 
assign (resid 20 and name ha) (resid 21 and name hn)   4.0 2.2 0.2 
assign (resid 22 and name ha) (resid 23 and name hn)   4.0 2.2 0.2 
assign (resid 23 and name ha) (resid 24 and name hn)   4.0 2.2 0.2 
assign (resid 23 and name ha
    or  resid 25 and name ha) (resid 26 and name hn)   4.0 2.2 0.2 
assign (resid 26 and name ha) (resid 27 and name hn)   5.0 3.2 0.3 
assign (resid 28 and name ha) (resid 29 and name hn)   4.0 2.2 0.2 
assign (resid 29 and name ha) (resid 30 and name hn)   4.0 2.2 0.2 
assign (resid 30 and name ha1
     or resid 30 and name ha2) (resid 31 and name hn)  3.0 1.2 0.1 
assign (resid 31 and name ha) (resid 32 and name hn)   3.0 1.2 0.1 
assign (resid 32 and name ha) (resid 33 and name hn)   3.0 1.2 0.1 
assign (resid 33 and name ha) (resid 34 and name hn)   4.0 2.2 0.2 
assign (resid 34 and name ha
    or  resid 35 and name ha) (resid 35 and name hn)   3.0 1.2 0.1 
assign (resid 34 and name ha
    or  resid 35 and name ha) (resid 36 and name hn)   4.0 2.2 0.2 
assign (resid 37 and name ha) (resid 38 and name hn)   5.0 3.2 0.3 
assign (resid 38 and name ha) (resid 39 and name hn)   4.0 2.2 0.2 
assign (resid 39 and name ha) (resid 40 and name hn)   5.0 3.2 0.3 
assign (resid 40 and name ha) (resid 41 and name hn)   4.0 2.2 0.2 
assign (resid 42 and name ha) (resid 43 and name hn)   4.0 2.2 0.2 
assign (resid 50 and name ha
    or  resid 48 and name ha) (resid 49 and name hn)   4.0 2.2 0.2 
assign (resid 49 and name ha1) (resid 50 and name hn)  4.0 2.2 0.2 
assign (resid 49 and name ha2) (resid 50 and name hn)  4.0 2.2 0.2 
assign (resid 49 and name ha#) (resid 51 and name hn)  5.0 3.2 0.3 

{*i,i+2 alpha-N*}
assign (resid 11 and name ha) (resid 13 and name hn)   5.0 3.2 0.3 
assign (resid 12 and name ha) (resid 14 and name hn)   4.0 2.2 0.2 
assign (resid 15 and name ha) (resid 17 and name hn)   4.0 2.2 0.2 
assign (resid 16 and name ha) (resid 18 and name hn)   5.0 3.2 0.3 
assign (resid 18 and name ha) (resid 20 and name hn)   4.0 2.2 0.2 
assign (resid 20 and name ha) (resid 22 and name hn)   5.0 3.2 0.3 
assign (resid 22 and name ha) (resid 24 and name hn)   5.0 3.2 0.3 
assign (resid 26 and name ha) (resid 28 and name hn)   6.0 4.2 0.4 
assign (resid 32 and name ha) (resid 34 and name hn)   4.0 2.2 0.2 
assign (resid 33 and name ha) (resid 35 and name hn)   5.0 3.2 0.3 
assign (resid 37 and name ha) (resid 39 and name hn)   6.0 4.2 0.4 
assign (resid 39 and name ha) (resid 41 and name hn)   6.0 4.2 0.4 
assign (resid 41 and name ha) (resid 43 and name hn)   6.0 4.2 0.4 
assign (resid 49 and name ha#
     or resid 52 and name ha) (resid 51 and name hn)   4.0 2.2 0.2 
assign (resid 51 and name ha) (resid 52 and name hn)   4.0 2.2 0.2 

{*i,i+3 alpha-N*}
assign (resid  9 and name ha) (resid 12 and name hn)   4.0 2.2 0.2 
assign (resid 15 and name ha) (resid 18 and name hn)   6.0 4.2 0.4 
assign (resid 16 and name ha) (resid 19 and name hn)   4.0 2.2 0.2 
assign (resid 18 and name ha) (resid 21 and name hn)   4.0 2.2 0.2 
assign (resid 20 and name ha) (resid 23 and name hn)   4.0 2.2 0.2 
assign (resid 25 and name ha) (resid 28 and name hn)   4.0 2.2 0.2 
assign (resid 26 and name ha) (resid 29 and name hn)   4.0 2.2 0.2 
assign (resid 27 and name ha) (resid 30 and name hn)   4.0 2.2 0.2 
assign (resid 32 and name ha) (resid 35 and name hn)   6.0 4.2 0.4 
assign (resid 33 and name ha) (resid 36 and name hn)   4.0 2.2 0.2 
assign (resid 34 and name ha
    or  resid 35 and name ha) (resid 37 and name hn)   4.0 2.2 0.2 
assign (resid 34 and name ha
    or  resid 35 and name ha) (resid 38 and name hn)   4.0 2.2 0.2 
assign (resid 37 and name ha) (resid 40 and name hn)   5.0 3.2 0.3 
assign (resid 39 and name ha) (resid 42 and name hn)   4.0 2.2 0.2 
assign (resid 41 and name ha) (resid 44 and name hn)   4.0 2.2 0.2 
assign (resid 42 and name ha) (resid 45 and name hn)   4.0 2.2 0.2 
assign (resid 43 and name ha) (resid 46 and name hn)   4.0 2.2 0.2 
assign (resid 45 and name ha) (resid 48 and name hn)   4.0 2.2 0.2 

{*i,i+4 alpha-N*}
assign (resid 10 and name ha
   or   resid 19 and name ha)(resid 14 and name hn)    6.0 4.2 0.4 
assign (resid 16 and name ha) (resid 20 and name hn)   4.0 2.2 0.2 
assign (resid 20 and name ha) (resid 24 and name hn)   5.0 3.2 0.3 
assign (resid 23 and name ha
    or  resid 25 and name ha) (resid 27 and name hn)   4.0 2.2 0.2 
assign (resid 25 and name ha) (resid 29 and name hn)   4.0 2.2 0.2 
assign (resid 26 and name ha) (resid 30 and name hn)   6.0 4.2 0.4 
assign (resid 27 and name ha) (resid 31 and name hn)   4.0 2.2 0.2 
assign (resid 37 and name ha) (resid 41 and name hn)   5.0 3.2 0.3 
assign (resid 39 and name ha) (resid 43 and name hn)   5.0 3.2 0.3 
assign (resid 42 and name ha) (resid 46 and name hn)   5.0 3.2 0.3 
assign (resid 26 and name ha
    or  resid 35 and name ha) (resid 31 and name hn
                          or   resid 39 and name hn)   4.0 2.2 0.2 

{*other alpha-N*}
assign (resid 33 and name ha) (resid 26 and name hn)   6.0 4.2 0.4 {*8*}

{*i,i+1 NN*}
assign (resid  9 and name hn) (resid 10 and name hn)   6.0 4.2 0.4 
assign (resid 11 and name hn) (resid 12 and name hn)   3.0 1.2 0.1 
assign (resid 12 and name hn) (resid 13 and name hn)   4.0 2.2 0.2 
assign (resid 16 and name hn) (resid 17 and name hn)   4.0 2.2 0.2 
assign (resid 17 and name hn) (resid 18 and name hn)   4.0 2.2 0.2 
assign (resid 18 and name hn) (resid 19 and name hn)   3.0 1.2 0.1 
assign (resid 19 and name hn) (resid 20 and name hn)   3.0 1.2 0.1 
assign (resid 20 and name hn) (resid 21 and name hn)   3.0 1.2 0.1 
assign (resid 21 and name hn) (resid 22 and name hn)   4.0 2.2 0.2 
assign (resid 22 and name hn) (resid 23 and name hn)   4.0 2.2 0.2 
assign (resid 23 and name hn) (resid 24 and name hn)   3.0 1.2 0.1 
assign (resid 24 and name hn) (resid 25 and name hn)   3.0 1.2 0.1 
assign (resid 26 and name hn) (resid 27 and name hn)   4.0 2.2 0.2 
assign (resid 27 and name hn) (resid 28 and name hn)   3.0 1.2 0.1 
assign (resid 29 and name hn
    or  resid 30 and name hn) (resid 28 and name hn)   4.0 2.2 0.2 
assign (resid 30 and name hn) (resid 31 and name hn)   3.0 1.2 0.1 
assign (resid 32 and name hn) (resid 33 and name hn)   5.0 3.2 0.3 
assign (resid 33 and name hn) (resid 34 and name hn)   4.0 2.2 0.2 
assign (resid 34 and name hn) (resid 35 and name hn)   4.0 2.2 0.2 
assign (resid 35 and name hn) (resid 36 and name hn)   4.0 2.2 0.2 
assign (resid 36 and name hn) (resid 37 and name hn)   4.0 2.2 0.2 
assign (resid 37 and name hn) (resid 38 and name hn)   4.0 2.2 0.2 
assign (resid 38 and name hn) (resid 39 and name hn)   4.0 2.2 0.2 
assign (resid 39 and name hn) (resid 40 and name hn)   4.0 2.2 0.2 
assign (resid 40 and name hn) (resid 41 and name hn)   4.0 2.2 0.2 
assign (resid 41 and name hn) (resid 42 and name hn)   4.0 2.2 0.2 
assign (resid 42 and name hn) (resid 43 and name hn)   4.0 2.2 0.2 
assign (resid 43 and name hn) (resid 44 and name hn)   4.0 2.2 0.2 
assign (resid 44 and name hn) (resid 45 and name hn)   4.0 2.2 0.2 
assign (resid 45 and name hn) (resid 46 and name hn)   4.0 2.2 0.2 
assign (resid 46 and name hn) (resid 47 and name hn)   4.0 2.2 0.2 
assign (resid 47 and name hn) (resid 48 and name hn)   3.0 1.2 0.1 
assign (resid 48 and name hn) (resid 49 and name hn)   3.0 1.2 0.1 
assign (resid 50 and name hn) (resid 51 and name hn)   3.0 1.2 0.1 
assign (resid 51 and name hn) (resid 52 and name hn)   5.0 3.2 0.3 
assign (resid 52 and name hn) (resid 53 and name hn)   5.0 3.2 0.3 

{*i,i+2 NN*}
assign (resid 16 and name hn) (resid 18 and name hn)   5.0 3.2 0.3 
assign (resid 17 and name hn) (resid 19 and name hn)   5.0 3.2 0.3 
assign (resid 18 and name hn) (resid 20 and name hn)   5.0 3.2 0.3 
assign (resid 19 and name hn) (resid 21 and name hn)   5.0 3.2 0.3 
assign (resid 20 and name hn) (resid 22 and name hn)   4.0 2.2 0.2 
assign (resid 21 and name hn) (resid 23 and name hn)   5.0 3.2 0.3 
assign (resid 26 and name hn) (resid 28 and name hn)   5.0 3.2 0.3 
assign (resid 27 and name hn) (resid 29 and name hn)   5.0 3.2 0.3 
assign (resid 28 and name hn) (resid 30 and name hn)   4.0 2.2 0.2 
assign (resid 29 and name hn) (resid 31 and name hn)   5.0 3.2 0.3 
assign (resid 33 and name hn) (resid 35 and name hn)   6.0 4.2 0.4 
assign (resid 35 and name hn) (resid 37 and name hn)   6.0 4.2 0.4 
assign (resid 40 and name hn) (resid 42 and name hn)   6.0 4.2 0.4 
assign (resid 41 and name hn) (resid 43 and name hn)   6.0 4.2 0.4 
assign (resid 42 and name hn) (resid 44 and name hn)   6.0 4.2 0.4 
assign (resid 43 and name hn) (resid 45 and name hn)   6.0 4.2 0.4 
assign (resid 46 and name hn) (resid 48 and name hn)   6.0 4.2 0.4 
assign (resid 47 and name hn) (resid 49 and name hn)   6.0 4.2 0.4 

{*other NN noe's*}
assign (resid 16 and name hn) (resid 20 and name hn)   6.0 4.2 0.4 
assign (resid 16 and name hn) (resid 19 and name hn)   6.0 4.2 0.4 
assign (resid 17 and name hn) (resid 20 and name hn)   6.0 4.2 0.4 
assign (resid 19 and name hn) (resid 22 and name hn)   6.0 4.2 0.4 
assign (resid 20 and name hn) (resid 23 and name hn)   5.0 3.2 0.3 
assign (resid 27 and name hn) (resid 30 and name hn)   6.0 4.2 0.4 
assign (resid 27 and name hn) (resid 31 and name hn)   6.0 4.2 0.4 
assign (resid 31 and name hn
    or  resid 39 and name hn) (resid 28 and name hn
                          or   resid 37 and name hn)   5.0 3.2 0.3 
assign (resid 32 and name hn) (resid 35 and name hn)   5.0 3.2 0.3 
assign (resid 32 and name hn) (resid 36 and name hn)   6.0 4.2 0.4 
assign (resid 34 and name hn) (resid 37 and name hn)   5.0 3.2 0.3 
assign (resid 35 and name hn) (resid 38 and name hn)   6.0 4.2 0.4 
assign (resid 37 and name hn) (resid 41 and name hn)   6.0 4.2 0.4 
assign (resid 38 and name hn) (resid 41 and name hn)   6.0 4.2 0.4 
assign (resid 42 and name hn) (resid 46 and name hn
                          or   resid 37 and name hn)   6.0 4.2 0.4 
assign (resid 43 and name hn) (resid 46 and name hn)   5.0 3.2 0.3 
assign (resid 45 and name hn) (resid 49 and name hn
                          or   resid 50 and name hn)   6.0 4.2 0.4 
assign (resid 46 and name hn) (resid 49 and name hn
                          or   resid 50 and name hn)   6.0 4.2 0.4 

{*constraints from sidechain HN*}
assign (resid 14 and name he1) (resid 14 and name ha)    5.0 3.2 0.3 
assign (resid 14 and name he1) (resid 11 and name hd2#)  5.0 3.2 0.3 
assign (resid 14 and name he1) (resid 18 and name hg##
                           or   resid 11 and name hb#)   6.0 4.2 0.4 
assign (resid 14 and name he1) (resid 13 and name hb1)   6.0 4.2 0.4 
assign (resid 14 and name he1) (resid 13 and name hb2)   6.0 4.2 0.4 
assign (resid 14 and name he1) (resid 10 and name hd#)   6.0 4.2 0.4 
assign (resid 14 and name he1) (resid 37 and name hg2#)  5.0 3.2 0.3 
assign (resid 14 and name he1) (resid 38 and name hd#)   5.0 3.2 0.3 
assign (resid 14 and name he1) (resid 38 and name hb#)   5.0 3.2 0.3 
assign (resid 14 and name he1) (resid 38 and name hn)    6.0 4.2 0.4 
assign (resid 14 and name he1) (resid 34 and name hd2#)  4.0 2.2 0.2 
assign (resid 14 and name he1) (resid 35 and name hn
                             or resid 14 and name hn)    5.0 3.2 0.3 
assign (resid 34 and name hd2#) (resid 34 and name ha)   5.0 3.2 0.3 
assign (resid 34 and name hd2#) (resid 34 and name hn)   6.0 4.2 0.4 
assign (resid 34 and name hd2#) (resid 10 and name ha)   5.0 3.2 0.3 
assign (resid 34 and name hd2#) (resid 10 and name hb#
                             or  resid 11 and name ha)   6.0 4.2 0.4 
assign (resid 34 and name hd2#) (resid 33 and name hg1#
                             or  resid 37 and name hd1#) 6.0 4.2 0.4 
assign (resid 34 and name hd2#) (resid 14 and name hd1)  5.0 3.2 0.3 
assign (resid 34 and name hd2#) (resid 10 and name he#
                              or resid 10 and name hz)   5.0 3.2 0.3 
assign (resid 34 and name hd2#) (resid 13 and name hb#)  6.0 4.2 0.4 
assign (resid 12 and name hd22) (resid 7 and name hb#
                            or   resid 7 and name he#)   6.0 4.2 0.4 
assign (resid 12 and name hd21) (resid 7 and name hb#
                            or   resid 7 and name he#)   6.0 4.2 0.4 
assign (resid 12 and name hd22) (resid 9 and name ha)    4.0 2.2 0.2 
assign (resid 12 and name hd21) (resid 9 and name ha)    4.0 2.2 0.2 
assign (resid 12 and name hd22) (resid 12 and name ha)   5.0 3.2 0.3 
assign (resid 12 and name hd21) (resid 12 and name ha)   5.0 3.2 0.3 
assign (resid 12 and name hd22) (resid 12 and name hb1)  4.0 2.2 0.2 
assign (resid 12 and name hd21) (resid 12 and name hb1)  4.0 2.2 0.2 
assign (resid 12 and name hd22) (resid 12 and name hb2)  4.0 2.2 0.2 
assign (resid 12 and name hd21) (resid 12 and name hb2)  4.0 2.2 0.2 
assign (resid 12 and name hd22) (resid 9 and name hg#)   5.0 3.2 0.3 
assign (resid 12 and name hd21) (resid 9 and name hg#)   5.0 3.2 0.3 
assign (resid 12 and name hd2#) (resid 11 and name hb#
                            or   resid 22 and name hg2#) 6.0 4.2 0.4 
assign (resid  9 and name he2#) (resid 7 and name hg#)   6.0 4.2 0.4 
assign (resid  9 and name he22) (resid 9 and name ha)    6.0 4.2 0.4 
assign (resid  9 and name he21) (resid 9 and name ha)    6.0 4.2 0.4 
assign (resid  9 and name he22) (resid 9 and name hg#)   4.0 2.2 0.2 
assign (resid  9 and name he21) (resid 9 and name hg#)   4.0 2.2 0.2 
assign (resid 29 and name hd22) (resid 25 and name hg1#) 4.0 2.2 0.2 
assign (resid 29 and name hd21) (resid 25 and name hg1#) 4.0 2.2 0.2 
assign (resid 29 and name hd22) (resid 29 and name hb#)  4.0 2.2 0.2 
assign (resid 29 and name hd21) (resid 29 and name hb#)  4.0 2.2 0.2 
assign (resid 29 and name hd21) (resid 26 and name ha)   6.0 4.2 0.4 
assign (resid 29 and name hd22) (resid 26 and name ha)   6.0 4.2 0.4 
assign (resid 29 and name hd2#) (resid 25 and name ha)   6.0 4.2 0.4 
assign (resid 29 and name hd2#) (resid 31 and name hg#
                            or   resid 40 and name hg#)  6.0 4.2 0.4 
assign (resid 39 and name he22) (resid 38 and name hd#)  5.0 3.2 0.3 
assign (resid 39 and name he21) (resid 38 and name hd#)  5.0 3.2 0.3 
assign (resid 39 and name he22) (resid 38 and name he#)  5.0 3.2 0.3 
assign (resid 39 and name he21) (resid 38 and name he#)  5.0 3.2 0.3 
assign (resid 39 and name he22) (resid 39 and name ha)   5.0 3.2 0.3 
assign (resid 39 and name he21) (resid 39 and name ha)   5.0 3.2 0.3 
assign (resid 39 and name he22) (resid 39 and name hb#)  4.0 2.2 0.2 
assign (resid 39 and name he21) (resid 39 and name hb#)  4.0 2.2 0.2 
assign (resid 39 and name he22) (resid 39 and name hg1)  4.0 2.2 0.2 
assign (resid 39 and name he21) (resid 39 and name hg1)  4.0 2.2 0.2 
assign (resid 39 and name he22) (resid 39 and name hg2)  4.0 2.2 0.2 
assign (resid 39 and name he21) (resid 39 and name hg2)  4.0 2.2 0.2 
assign (resid 39 and name he22) (resid 42 and name hb#
                            or   resid 40 and name hg#)  6.0 4.2 0.4 
assign (resid 39 and name he21) (resid 42 and name hb#
                            or   resid 40 and name hg#)  6.0 4.2 0.4 
assign (resid 39 and name he2#) (resid 42 and name hg#
                            or   resid 42 and name he#)  4.0 2.2 0.2 
assign (resid 39 and name he2#) (resid 18 and name hg##) 6.0 4.2 0.4 
assign (resid 50 and name he) (resid 48 and name hb#)    6.0 4.2 0.4 
assign (resid 50 and name he) (resid 48 and name ha
                          or   resid 50 and name ha)     6.0 4.2 0.4 
assign (resid 23 and name he) (resid 20 and name ha)     6.0 4.2 0.4 
assign (resid 23 and name he) (resid 23 and name ha)     6.0 4.2 0.4 
assign (resid 23 and name he) (resid 23 and name hb#)    4.0 2.2 0.2 
assign (resid 23 and name he) (resid 19 and name hd##)   6.0 4.2 0.4 
assign (resid 40 and name he) (resid 25 and name hg2#)   5.0 3.2 0.3 
assign (resid 40 and name he) (resid 36 and name hg1)    5.0 3.2 0.3 
assign (resid 40 and name he) (resid 36 and name hg2)    5.0 3.2 0.3 
assign (resid 40 and name he) (resid 25 and name hb
                          or   resid 36 and name hb#)    5.0 3.2 0.3 
assign (resid 40 and name he) (resid 39 and name hg#
                          or   resid 36 and name hb#)    6.0 4.2 0.4 
assign (resid 40 and name he) (resid 36 and name ha
                            or resid 40 and name ha)     5.0 3.2 0.3 
assign (resid 40 and name he) (resid 22 and name hg2#
                            or resid 37 and name hg1#)   6.0 4.2 0.4 
assign (resid 40 and name he) (resid 45 and name he#)    6.0 4.2 0.4 
assign (resid 40 and name he) (resid 40 and name hn)     6.0 4.2 0.4 
assign (resid 31 and name he) (resid 29 and name hb#)    5.0 3.2 0.3 
assign (resid 31 and name he) (resid 29 and name hd2#)   6.0 4.2 0.4 
assign (resid 31 and name he) (resid 39 and name he2#)   6.0 4.2 0.4 
assign (resid 31 and name he) (resid 39 and name hg#
                          or   resid 36 and name hg#)    6.0 4.2 0.4 
assign (resid 31 and name he) (resid 39 and name hg#
                          or   resid 36 and name hb#)    6.0 4.2 0.4 
assign (resid 31 and name he) (resid 26 and name ha
                          or   resid 35 and name ha)     6.0 4.2 0.4 

{*other crosspeaks ordered by residue*}
assign (resid  6 and name hn) (resid  5 and name hb#)    4.0 2.2 0.2 
assign (resid  6 and name hn) (resid  6 and name hb#)    4.0 2.2 0.2 
assign (resid  6 and name hn) (resid  6 and name hg#)    4.0 2.2 0.2 
assign (resid  6 and name hn) (resid  7 and name hg#)    6.0 4.2 0.4 
assign (resid  7 and name hn) (resid  6 and name hb#)    4.0 2.2 0.2 
assign (resid  7 and name hn) (resid  6 and name hg#)    5.0 3.2 0.3 
assign (resid  7 and name hn) (resid  7 and name hg#)    3.0 1.2 0.1 
assign (resid  7 and name hn) (resid  8 and name hd1)    5.0 3.2 0.3 
assign (resid  7 and name hn) (resid  8 and name hd2)    5.0 3.2 0.3 
assign (resid  7 and name hn) (resid 19 and name hd##
                            or resid 33 and name hg1#)   6.0 4.2 0.4 
assign (resid  9 and name hn) (resid  8 and name hb2)    5.0 3.2 0.3 
assign (resid  9 and name hn) (resid  8 and name hg#)    6.0 4.2 0.4 
assign (resid  9 and name hn) (resid 11 and name hb#)    6.0 4.2 0.4 
assign (resid  9 and name hn) (resid  8 and name hd#)    6.0 4.2 0.4 
assign (resid  9 and name hn) (resid 10 and name hd#)    6.0 4.2 0.4 
assign (resid 10 and name hn) (resid  8 and name hb2)    5.0 3.2 0.3 
assign (resid 10 and name hn) (resid  8 and name hb1
                          or   resid  9 and name hg#)    5.0 3.2 0.3 
assign (resid 10 and name hn) (resid  8 and name hg#)    6.0 4.2 0.4 
assign (resid 10 and name hn) (resid 10 and name hd#)    4.0 2.2 0.2 
assign (resid 10 and name hn) (resid 11 and name hg)     6.0 4.2 0.4 
assign (resid 10 and name hn) (resid 11 and name hb#)    5.0 3.2 0.3 
assign (resid 10 and name hn) (resid 11 and name hd1#)   6.0 4.2 0.4 
assign (resid 10 and name hn) (resid 11 and name hd2#)   6.0 4.2 0.4 
assign (resid 11 and name hn) (resid  8 and name hb2)    5.0 3.2 0.3 
assign (resid 11 and name hn) (resid  8 and name hb1
                          or   resid  9 and name hg#)    6.0 4.2 0.4 
assign (resid 11 and name hn) (resid  8 and name hg#)    6.0 4.2 0.4 
assign (resid 11 and name hn) (resid  8 and name hd#
                          or   resid  9 and name ha)     6.0 4.2 0.4 
assign (resid 11 and name hn) (resid 10 and name hd#)    5.0 3.2 0.3 
assign (resid 11 and name hn) (resid 11 and name hb#)    4.0 2.2 0.2 
assign (resid 11 and name hn) (resid 11 and name hg)     4.0 2.2 0.2 
assign (resid 11 and name hn) (resid 11 and name hd1#)   5.0 3.2 0.3 
assign (resid 11 and name hn) (resid 11 and name hd2#)   5.0 3.2 0.3 
assign (resid 11 and name hn) (resid 12 and name ha)     6.0 4.2 0.4 
assign (resid 11 and name hn) (resid 12 and name hb#)    6.0 4.2 0.4 
assign (resid 12 and name hn) (resid 11 and name hg)     5.0 3.2 0.3 
assign (resid 12 and name hn) (resid 11 and name hb#)    4.0 2.2 0.2 
assign (resid 12 and name hn) (resid 12 and name hb1)    3.0 1.2 0.1 
assign (resid 12 and name hn) (resid 12 and name hb2)    3.0 1.2 0.1 
assign (resid 12 and name hn) (resid 11 and name hd1#)   5.0 3.2 0.3 
assign (resid 12 and name hn) (resid 11 and name hd2#)   5.0 3.2 0.3 
assign (resid 13 and name hn) (resid 11 and name hb#)    5.0 3.2 0.3 
assign (resid 13 and name hn) (resid 11 and name hd2#)   6.0 4.2 0.4 
assign (resid 13 and name hn) (resid 12 and name hb1)    4.0 2.2 0.2 
assign (resid 13 and name hn) (resid 12 and name hb2)    4.0 2.2 0.2 
assign (resid 13 and name hn) (resid 13 and name hb1)    4.0 2.2 0.2 
assign (resid 13 and name hn) (resid 13 and name hb2)    4.0 2.2 0.2 
assign (resid 13 and name hn) (resid 13 and name hd#)    5.0 3.2 0.3 
assign (resid 13 and name hn) (resid 14 and name hd1)    4.0 2.2 0.2 
assign (resid 13 and name hn) (resid 19 and name hd##)   5.0 3.2 0.3 
assign (resid 14 and name hn) (resid 11 and name hb#
                          or   resid 18 and name hg##)   5.0 3.2 0.3 
assign (resid 14 and name hn) (resid 19 and name hd##)   4.0 2.2 0.2 
assign (resid 14 and name hn) (resid 13 and name hb1)    4.0 2.2 0.2 
assign (resid 14 and name hn) (resid 13 and name hb2)    4.0 2.2 0.2 
assign (resid 14 and name hn) (resid 12 and name hb1)    5.0 3.2 0.3 
assign (resid 14 and name hn) (resid 12 and name hb2)    6.0 4.2 0.4 
assign (resid 14 and name hn) (resid 11 and name hd2#)   6.0 4.2 0.4 
assign (resid 14 and name hn) (resid 15 and name hd#)    5.0 3.2 0.3 
assign (resid 14 and name hn) (resid 14 and name he3)    5.0 3.2 0.3 
assign (resid 14 and name hn) (resid 14 and name hd1)    3.0 1.2 0.1 
assign (resid 14 and name hn) (resid 14 and name he1)    5.0 3.2 0.3 
assign (resid 14 and name hn) (resid 18 and name hb)     6.0 4.2 0.4 
assign (resid 16 and name hn) (resid 15 and name hb1)    4.0 2.2 0.2 
assign (resid 16 and name hn) (resid 15 and name hg#)    6.0 4.2 0.4 
assign (resid 16 and name hn) (resid 15 and name hd#)    6.0 4.2 0.4 
assign (resid 16 and name hn) (resid 16 and name hb1)    3.0 1.2 0.1 
assign (resid 16 and name hn) (resid 16 and name hb2)    3.0 1.2 0.1 
assign (resid 16 and name hn) (resid 16 and name hg#)    3.0 1.2 0.1 
assign (resid 16 and name hn) (resid 16 and name hd#)    5.0 3.2 0.3 
assign (resid 16 and name hn) (resid 19 and name hd##)   5.0 3.2 0.3 
assign (resid 16 and name hn) (resid 18 and name hg##)   5.0 3.2 0.3 
assign (resid 16 and name hn) (resid 16 and name hd#)    5.0 3.2 0.3 
assign (resid 17 and name hn) (resid 15 and name hb1
                          or   resid 20 and name hb#)    4.0 2.2 0.2 
assign (resid 17 and name hn) (resid 19 and name hd##)   6.0 4.2 0.4 
assign (resid 17 and name hn) (resid 18 and name hg##)   4.0 2.2 0.2 
assign (resid 17 and name hn) (resid 16 and name hg#)    4.0 2.2 0.2 
assign (resid 17 and name hn) (resid 16 and name hd#
                          or   resid 14 and name hb#)    6.0 4.2 0.4 
assign (resid 17 and name hn) (resid 17 and name hg#)    3.0 1.2 0.1 
assign (resid 17 and name hn) (resid 51 and name hg2#
                          or   resid 41 and name hg1#
                          or   resid 51 and name hd1#)   6.0 4.2 0.4 
assign (resid 18 and name hn) (resid 19 and name hd##)   5.0 3.2 0.3 
assign (resid 18 and name hn) (resid 15 and name hb2
                          or   resid 42 and name he#)    4.0 2.2 0.2 
assign (resid 18 and name hn) (resid 15 and name hd#)    6.0 4.2 0.4 
assign (resid 18 and name hn) (resid 15 and name hb1
                          or   resid 20 and name hb#)    5.0 3.2 0.3 
assign (resid 18 and name hn) (resid 16 and name hg#
                          or   resid 19 and name hg)     5.0 3.2 0.3 
assign (resid 18 and name hn) (resid 18 and name hb)     3.0 1.2 0.1 
assign (resid 18 and name hn) (resid 18 and name hg##)   3.0 1.2 0.1 
assign (resid 18 and name hn) (resid 21 and name hd2#)   6.0 4.2 0.4 
assign (resid 18 and name hn) (resid 51 and name hg2#
                          or   resid 41 and name hg1#
                          or   resid 51 and name hd1#)   6.0 4.2 0.4 
assign (resid 19 and name hn) (resid 22 and name hg2#)   5.0 3.2 0.3 
assign (resid 19 and name hn) (resid 14 and name he3)    6.0 4.2 0.4 
assign (resid 19 and name hn) (resid 14 and name hb1)    6.0 4.2 0.4 
assign (resid 19 and name hn) (resid 14 and name hb2)    6.0 4.2 0.4 
assign (resid 19 and name hn) (resid 18 and name hb)     4.0 2.2 0.2 
assign (resid 19 and name hn) (resid 18 and name hg##)   4.0 2.2 0.2 
assign (resid 19 and name hn) (resid 19 and name hb#)    4.0 2.2 0.2 
assign (resid 19 and name hn) (resid 19 and name hg)     3.0 1.2 0.1 
assign (resid 19 and name hn) (resid 19 and name hd##)   4.0 2.2 0.2 
assign (resid 19 and name hn) (resid 20 and name ha)     5.0 3.2 0.3 
assign (resid 19 and name hn) (resid 20 and name hb#)    6.0 4.2 0.4 
assign (resid 19 and name hn) (resid 21 and name hb#)    6.0 4.2 0.4 
assign (resid 19 and name hn) (resid 22 and name hg2#)   5.0 3.2 0.3 
assign (resid 19 and name hn) (resid 41 and name hg1#
                          or   resid 51 and name hd1#)   6.0 4.2 0.4 
assign (resid 20 and name hn) (resid 16 and name hd#
                          or   resid 23 and name hd#)    5.0 3.2 0.3 
assign (resid 20 and name hn) (resid 18 and name hb)     5.0 3.2 0.3 
assign (resid 20 and name hn) (resid 19 and name hb1)    4.0 2.2 0.2 
assign (resid 20 and name hn) (resid 19 and name hb2)    4.0 2.2 0.2 
assign (resid 20 and name hn) (resid 19 and name hd##)   4.0 2.2 0.2 
assign (resid 20 and name hn) (resid 20 and name hb1)    3.0 1.2 0.1 
assign (resid 20 and name hn) (resid 20 and name hb2)    3.0 1.2 0.1 
assign (resid 20 and name hn) (resid 21 and name hb#)    5.0 3.2 0.3 
assign (resid 20 and name hn) (resid 21 and name hd1#)   6.0 4.2 0.4 
assign (resid 20 and name hn) (resid 21 and name hd2#)   6.0 4.2 0.4 
assign (resid 21 and name hn) (resid 19 and name hb#)    5.0 3.2 0.3 
assign (resid 21 and name hn) (resid 19 and name hd##)   5.0 3.2 0.3 
assign (resid 21 and name hn) (resid 20 and name hb1)    4.0 2.2 0.2 
assign (resid 21 and name hn) (resid 20 and name hb2)    4.0 2.2 0.2 
assign (resid 21 and name hn) (resid 21 and name hd1#)   4.0 2.2 0.2 
assign (resid 21 and name hn) (resid 21 and name hd2#)   4.0 2.2 0.2 
assign (resid 21 and name hn) (resid 22 and name hb)     5.0 3.2 0.3 
assign (resid 21 and name hn) (resid 24 and name hb#)    5.0 3.2 0.3 
assign (resid 22 and name hn) (resid 45 and name hz)     4.0 2.2 0.2 
assign (resid 22 and name hn) (resid 33 and name hg1#
                            or resid 19 and name hd##)   4.0 2.2 0.2 
assign (resid 22 and name hn) (resid 41 and name hg1#
                            or resid 51 and name hd1#)   5.0 3.2 0.3 
assign (resid 22 and name hn) (resid 20 and name hb1)    6.0 4.2 0.4 
assign (resid 22 and name hn) (resid 20 and name hb2)    6.0 4.2 0.4 
assign (resid 22 and name hn) (resid 21 and name hb#)    4.0 2.2 0.2 
assign (resid 22 and name hn) (resid 21 and name hd2#)   5.0 3.2 0.3 
assign (resid 22 and name hn) (resid 22 and name hb)     3.0 1.2 0.1 
assign (resid 22 and name hn) (resid 22 and name hg2#)   3.0 1.2 0.1 
assign (resid 23 and name hn) (resid 45 and name hz
                           or  resid 14 and name hz3)    6.0 4.2 0.4 
assign (resid 23 and name hn) (resid 33 and name hg1#
                           or  resid 19 and name hd##)   4.0 2.2 0.2 
assign (resid 23 and name hn) (resid 21 and name hb#
                           or  resid 26 and name hb#)    5.0 3.2 0.3 
assign (resid 23 and name hn) (resid 21 and name hd2#)   6.0 4.2 0.4 
assign (resid 23 and name hn) (resid 21 and name hd1#
                           or  resid 11 and name hg)     6.0 4.2 0.4 
assign (resid 23 and name hn) (resid 22 and name hb)     3.0 1.2 0.1 
assign (resid 23 and name hn) (resid 22 and name hg1#
                           or  resid 33 and name hg2#)   3.0 1.2 0.1 
assign (resid 23 and name hn) (resid 22 and name hg2#)   4.0 2.2 0.2 
assign (resid 23 and name hn) (resid 23 and name hb#)    3.0 1.2 0.1 
assign (resid 23 and name hn) (resid 23 and name hg#)    4.0 2.2 0.2 
assign (resid 23 and name hn) (resid 23 and name hd#)    4.0 2.2 0.2 
assign (resid 24 and name hn) (resid 33 and name hg1#
                           or  resid 19 and name hd##)   6.0 4.2 0.4 
assign (resid 24 and name hn) (resid 21 and name hd1#)   5.0 3.2 0.3 
assign (resid 24 and name hn) (resid 21 and name hd2#)   6.0 4.2 0.4 
assign (resid 24 and name hn) (resid 22 and name hb)     6.0 4.2 0.4 
assign (resid 24 and name hn) (resid 23 and name hg#)    4.0 2.2 0.2 
assign (resid 24 and name hn) (resid 23 and name hd#)    5.0 3.2 0.3 
assign (resid 24 and name hn) (resid 24 and name hg1)    4.0 2.2 0.2 
assign (resid 24 and name hn) (resid 24 and name hg2)    4.0 2.2 0.2 
assign (resid 24 and name hn) (resid 25 and name hb)     5.0 3.2 0.3 
assign (resid 25 and name hn) (resid 24 and name hb#)    3.0 1.2 0.1 
assign (resid 25 and name hn) (resid 25 and name hb)     3.0 1.2 0.1 
assign (resid 26 and name hn) (resid 23 and name hg#
                          or   resid 31 and name hg#)    5.0 3.2 0.3 
assign (resid 26 and name hn) (resid 25 and name hb)     4.0 2.2 0.2 
assign (resid 26 and name hn) (resid 25 and name hg2#
                          or   resid 33 and name hg2#)   3.0 1.2 0.1 
assign (resid 26 and name hn) (resid 26 and name hb#)    3.0 1.2 0.1 
assign (resid 26 and name hn) (resid 29 and name hb#)    6.0 4.2 0.4
assign (resid 26 and name hn) (resid 36 and name hg#
                           or  resid 27 and name hg#)    5.0 3.2 0.3 
assign (resid 27 and name hn) (resid 25 and name hg2#
                          or   resid 33 and name hg2#)   5.0 3.2 0.3 
assign (resid 26 and name hn) (resid 23 and name hg#
                          or   resid 31 and name hg#)    6.0 4.2 0.4 
assign (resid 27 and name hn) (resid 26 and name hb#)    3.0 1.2 0.1 
assign (resid 27 and name hn) (resid 27 and name hb#)    3.0 1.2 0.1 
assign (resid 27 and name hn) (resid 27 and name hg#)    4.0 2.2 0.2 
assign (resid 28 and name hn) (resid 24 and name hd#)    6.0 4.2 0.4 
assign (resid 28 and name hn) (resid 25 and name hg1#)   5.0 3.2 0.3 
assign (resid 28 and name hn) (resid 26 and name hb#)    4.0 2.2 0.2 
assign (resid 28 and name hn) (resid 28 and name hb#)    3.0 1.2 0.1 
assign (resid 28 and name hn) (resid 28 and name hg#)    3.0 1.2 0.1 
assign (resid 28 and name hn) (resid 29 and name ha)     5.0 3.2 0.3 
assign (resid 28 and name hn) (resid 29 and name hb#)    5.0 3.2 0.3 
assign (resid 28 and name hn) (resid 31 and name hg#)    6.0 4.2 0.4 
assign (resid 29 and name hn) (resid 25 and name hg1#)   5.0 3.2 0.3 
assign (resid 29 and name hn) (resid 26 and name hb#)    5.0 3.2 0.3 
assign (resid 29 and name hn) (resid 28 and name hb#)    4.0 2.2 0.2 
assign (resid 29 and name hn) (resid 28 and name hg#)    4.0 2.2 0.2 
assign (resid 29 and name hn) (resid 29 and name hb#)    3.0 1.2 0.1 
assign (resid 29 and name hn) (resid 29 and name hd2#)   5.0 3.2 0.3 
assign (resid 29 and name hn) (resid 31 and name hg#)    5.0 3.2 0.3 
assign (resid 30 and name hn) (resid 25 and name hg1#)   6.0 4.2 0.4 
assign (resid 30 and name hn) (resid 26 and name hb#)    6.0 4.2 0.4 
assign (resid 30 and name hn) (resid 27 and name hg#)    6.0 4.2 0.4 
assign (resid 30 and name hn) (resid 28 and name hb#)    5.0 3.2 0.3 
assign (resid 30 and name hn) (resid 29 and name hb#)    4.0 2.2 0.2 
assign (resid 30 and name hn) (resid 31 and name hg#)    5.0 3.2 0.3 
assign (resid 31 and name hn) (resid 29 and name hb#)    4.0 2.2 0.2 
assign (resid 31 and name hn) (resid 31 and name hb#)    4.0 2.2 0.2 
assign (resid 31 and name hn) (resid 31 and name hg#)    4.0 2.2 0.2 
assign (resid 31 and name hn) (resid 31 and name hd#)    5.0 3.2 0.3 
assign (resid 32 and name hn) (resid 31 and name hb#)    4.0 2.2 0.2 
assign (resid 32 and name hn) (resid 31 and name hg#)    4.0 2.2 0.2 
assign (resid 32 and name hn) (resid 31 and name hd1)    6.0 4.2 0.4 
assign (resid 32 and name hn) (resid 31 and name hd2)    6.0 4.2 0.4 
assign (resid 32 and name hn) (resid 33 and name ha)     6.0 4.2 0.4 
assign (resid 32 and name hn) (resid 33 and name hg2#)   5.0 3.2 0.3 
assign (resid 32 and name hn) (resid 34 and name hb#)    6.0 4.2 0.4 
assign (resid 32 and name hn) (resid 36 and name hb#
                          or   resid 39 and name hg#)    6.0 4.2 0.4 
assign (resid 32 and name hn) (resid 33 and name hb
                          or   resid 36 and name hb#)    6.0 4.2 0.4 
assign (resid 33 and name hn) (resid 11 and name hd1#)   6.0 4.2 0.4 
assign (resid 33 and name hn) (resid 10 and name he#
                           or  resid 10 and name hz)     6.0 4.2 0.4 
assign (resid 33 and name hn)  (resid 26 and name hb#)   4.0 2.2 0.2 
assign (resid 33 and name hn) (resid 32 and name hb1)    4.0 2.2 0.2 
assign (resid 33 and name hn) (resid 32 and name hb2)    4.0 2.2 0.2 
assign (resid 33 and name hn) (resid 33 and name hb)     3.0 1.2 0.1 
assign (resid 33 and name hn) (resid 33 and name hg2#)   3.0 1.2 0.1 
assign (resid 33 and name hn) (resid 33 and name hg1#)   4.0 2.2 0.2 
assign (resid 33 and name hn) (resid 34 and name hb#)    5.0 3.2 0.3 
assign (resid 34 and name hn)  (resid 26 and name hb#)   6.0 4.2 0.4 
assign (resid 34 and name hn) (resid 10 and name he#
                           or  resid 10 and name hz)     5.0 3.2 0.3 
assign (resid 34 and name hn) (resid 11 and name hd1#)   6.0 4.2 0.4 
assign (resid 34 and name hn) (resid 13 and name hb#)    6.0 4.2 0.4 
assign (resid 34 and name hn) (resid 32 and name hb1)    5.0 3.2 0.3 
assign (resid 34 and name hn) (resid 32 and name hb2)    5.0 3.2 0.3 
assign (resid 34 and name hn) (resid 33 and name hg2#)   4.0 2.2 0.2 
assign (resid 34 and name hn) (resid 33 and name hg1#)   4.0 2.2 0.2 
assign (resid 34 and name hn) (resid 34 and name hb#)    3.0 1.2 0.1 
assign (resid 34 and name hn) (resid 34 and name hd2#)   5.0 3.2 0.3 
assign (resid 34 and name hn) (resid  8 and name hd#
                           or  resid 35 and name hb#)    5.0 3.2 0.3 
assign (resid 34 and name hn) (resid 37 and name hg2#
                           or  resid 37 and name hg1#)   6.0 4.2 0.4 
assign (resid 34 and name hn) (resid 37 and name hb
                           or  resid 38 and name hb#)    6.0 4.2 0.4 
assign (resid 35 and name hn) (resid 10 and name he#
                           or  resid 10 and name hz)     6.0 4.2 0.4 
assign (resid 35 and name hn)  (resid 26 and name hb#)   6.0 4.2 0.4 
assign (resid 35 and name hn) (resid 31 and name hd1)    6.0 4.2 0.4 
assign (resid 35 and name hn) (resid 31 and name hd2)    6.0 4.2 0.4 
assign (resid 35 and name hn) (resid 32 and name hb#)    6.0 4.2 0.4 
assign (resid 35 and name hn) (resid 34 and name hb#)    4.0 2.2 0.2 
assign (resid 35 and name hn) (resid 34 and name hd2#)   6.0 4.2 0.4 
assign (resid 35 and name hn) (resid 35 and name hb#)    3.0 1.2 0.1 
assign (resid 35 and name hn) (resid 33 and name hg1#)   5.0 3.2 0.3 
assign (resid 35 and name hn) (resid 22 and name hg1#
                           or  resid 33 and name hg2#)   5.0 3.2 0.3 
assign (resid 35 and name hn) (resid 37 and name hg2#
                           or  resid 37 and name hg1#)   6.0 4.2 0.4 
assign (resid 36 and name hn)  (resid 31 and name hd#)   5.0 3.2 0.3 
assign (resid 36 and name hn)  (resid 26 and name hb#)   4.0 2.2 0.2 
assign (resid 36 and name hn) (resid 10 and name he#
                           or  resid 10 and name hz)     6.0 4.2 0.4 
assign (resid 36 and name hn) (resid 31 and name hg#
                           or  resid 40 and name hg#)    5.0 3.2 0.3 
assign (resid 36 and name hn) (resid 37 and name hg2#
                           or  resid 37 and name hg1#)   5.0 3.2 0.3 
assign (resid 36 and name hn) (resid 22 and name hg1#
                           or  resid 33 and name hg2#)   4.0 2.2 0.2 
assign (resid 36 and name hn) (resid 33 and name hg1#
                           or  resid 37 and name hd1#)   5.0 3.2 0.3 
assign (resid 36 and name hn) (resid 34 and name hb#
                           or  resid 38 and name hb#)    5.0 3.2 0.3 
assign (resid 36 and name hn)  (resid 36 and name hg1)   4.0 2.2 0.2 
assign (resid 36 and name hn)  (resid 36 and name hg2)   4.0 2.2 0.2 
assign (resid 37 and name hn) (resid 38 and name ha
                           or  resid 31 and name hd#)    5.0 3.2 0.3 
assign (resid 37 and name hn) (resid 34 and name hb#
                           or  resid 38 and name hb#)    6.0 4.2 0.4 
assign (resid 37 and name hn) (resid 41 and name hg1#)   6.0 4.2 0.4 
assign (resid 37 and name hn) (resid 36 and name hb#
                           or  resid 37 and name hg1#)   3.0 1.2 0.1 
assign (resid 37 and name hn) (resid 33 and name hg1#
                           or  resid 37 and name hd1#)   4.0 2.2 0.2 
assign (resid 37 and name hn) (resid 11 and name hd2#)   6.0 4.2 0.4 
assign (resid 37 and name hn) (resid 10 and name he#
                           or  resid 10 and name hz)     5.0 3.2 0.3 
assign (resid 37 and name hn) (resid 14 and name hz2)    6.0 4.2 0.4 
assign (resid 37 and name hn)  (resid 26 and name hb#)  5.0 3.2 0.3 
assign (resid 38 and name hn) (resid 14 and name he1)    6.0 4.2 0.4 
assign (resid 38 and name hn) (resid 14 and name hz2)    4.0 2.2 0.2 
assign (resid 38 and name hn) (resid 14 and name hh2)    5.0 3.2 0.3 
assign (resid 38 and name hn) (resid 37 and name hg2#)   4.0 2.2 0.2 
assign (resid 38 and name hn) (resid 38 and name hd#)    4.0 2.2 0.2 
assign (resid 38 and name hn) (resid 39 and name ha)     6.0 4.2 0.4 
assign (resid 39 and name hn) (resid 37 and name hd1#)   6.0 4.2 0.4 
assign (resid 39 and name hn) (resid 38 and name hb#)    4.0 2.2 0.2 
assign (resid 39 and name hn) (resid 38 and name hd#)    4.0 2.2 0.2 
assign (resid 39 and name hn) (resid 38 and name he#)    6.0 4.2 0.4 
assign (resid 39 and name hn) (resid 14 and name hh2)    6.0 4.2 0.4 
assign (resid 39 and name hn) (resid 14 and name hz2)    6.0 4.2 0.4 
assign (resid 39 and name hn) (resid 39 and name hb#)    3.0 1.2 0.1 
assign (resid 39 and name hn) (resid 41 and name hg1#)   6.0 4.2 0.4 
assign (resid 40 and name hn) (resid 39 and name hb#
                          or   resid 41 and name hb)     4.0 2.2 0.2 
assign (resid 40 and name hn) (resid 40 and name hd#)    5.0 3.2 0.3 
assign (resid 40 and name hn) (resid 40 and name he)     6.0 4.2 0.4 
assign (resid 40 and name hn) (resid 41 and name hg2#)   4.0 2.2 0.2 
assign (resid 40 and name hn) (resid 41 and name hg1#)   5.0 3.2 0.3 
assign (resid 41 and name hn) (resid 37 and name hd1#)   5.0 3.2 0.3 
assign (resid 41 and name hn) (resid 40 and name hd1)    6.0 4.2 0.4 
assign (resid 41 and name hn) (resid 40 and name hd2)    6.0 4.2 0.4 
assign (resid 41 and name hn) (resid 14 and name hh2)    5.0 3.2 0.3 
assign (resid 41 and name hn) (resid 41 and name hb)     3.0 1.2 0.1 
assign (resid 41 and name hn) (resid 41 and name hg2#)   3.0 1.2 0.1 
assign (resid 41 and name hn) (resid 41 and name hg1#)   4.0 2.2 0.2 
assign (resid 42 and name hn)  (resid 38 and name hd#)   6.0 4.2 0.4 
assign (resid 42 and name hn)  (resid 41 and name hb)    3.0 1.2 0.1 
assign (resid 42 and name hn)  (resid 42 and name hb1)   3.0 1.2 0.1 
assign (resid 42 and name hn)  (resid 42 and name hb2)   3.0 1.2 0.1 
assign (resid 42 and name hn)  (resid 42 and name hg#)   4.0 2.2 0.2 
assign (resid 42 and name hn)  (resid 45 and name hb#)   6.0 4.2 0.4 
assign (resid 42 and name hn)  (resid 45 and name hd#)   6.0 4.2 0.4 
assign (resid 42 and name hn)  (resid 45 and name he#)   6.0 4.2 0.4 
assign (resid 42 and name hn) (resid 41 and name hg1#
                          or   resid 51 and name hd1#)   4.0 2.2 0.2 
assign (resid 42 and name hn) (resid 41 and name hg2#
                          or   resid 18 and name hg##)   4.0 2.2 0.2 
assign (resid 43 and name hn)  (resid 42 and name hb1)   4.0 2.2 0.2 
assign (resid 43 and name hn)  (resid 42 and name hb2)   4.0 2.2 0.2 
assign (resid 43 and name hn)  (resid 43 and name hb#)   3.0 1.2 0.1 
assign (resid 43 and name hn)  (resid 43 and name hg#)   4.0 2.2 0.2 
assign (resid 43 and name hn) (resid 41 and name hg1#
                          or   resid 51 and name hd1#)   5.0 3.2 0.3 
assign (resid 43 and name hn) (resid 41 and name hg2#
                          or   resid 18 and name hg##)   5.0 3.2 0.3 
assign (resid 43 and name hn) (resid 46 and name hg#
                          or   resid 51 and name hg1#)   6.0 4.2 0.4 
assign (resid 44 and name hn) (resid 41 and name hg1#
                          or   resid 51 and name hd1#)   5.0 3.2 0.3 
assign (resid 44 and name hn) (resid 41 and name hg2#)   5.0 3.2 0.3 
assign (resid 44 and name hn) (resid 43 and name hb#)    4.0 2.2 0.2 
assign (resid 44 and name hn) (resid 43 and name hg#)    5.0 3.2 0.3 
assign (resid 44 and name hn) (resid 45 and name hb#)    5.0 3.2 0.3 
assign (resid 44 and name hn) (resid 45 and name hd#)    5.0 3.2 0.3 
assign (resid 45 and name hn)  (resid 45 and name hb#)   3.0 1.2 0.1 
assign (resid 45 and name hn)  (resid 45 and name hd#)   4.0 2.2 0.2 
assign (resid 45 and name hn)  (resid 45 and name he#)   5.0 3.2 0.3 
assign (resid 45 and name hn)  (resid 21 and name hd1#)  6.0 4.2 0.4 
assign (resid 45 and name hn)  (resid 21 and name hd2#)  6.0 4.2 0.4 
assign (resid 45 and name hn)  (resid 25 and name hg2#
                          or    resid 18 and name hg##)  5.0 3.2 0.3 
assign (resid 45 and name hn)  (resid 40 and name hd#
                          or    resid 46 and name he#)   6.0 4.2 0.4 
assign (resid 45 and name hn)  (resid 48 and name hb#)   6.0 4.2 0.4 
assign (resid 45 and name hn)  (resid 51 and name hg1#)  6.0 4.2 0.4 
assign (resid 45 and name hn)  (resid 51 and name hg1#
                          or    resid 46 and name hg#)   5.0 3.2 0.3 
assign (resid 46 and name hn)  (resid 45 and name hb#)   4.0 2.2 0.2 
assign (resid 46 and name hn)  (resid 46 and name hb#)   3.0 1.2 0.1 
assign (resid 46 and name hn)  (resid 46 and name he#)   6.0 4.2 0.4 
assign (resid 46 and name hn)  (resid 51 and name hg1#)  5.0 3.2 0.3 
assign (resid 47 and name hn)  (resid 45 and name hb#)   6.0 4.2 0.4 
assign (resid 47 and name hn)  (resid 47 and name hg#)   4.0 2.2 0.2 
assign (resid 47 and name hn)  (resid 47 and name he#)   6.0 4.2 0.4 
assign (resid 47 and name hn)  (resid 51 and name hg1#
                          or    resid 46 and name hg#)   4.0 2.2 0.2 
assign (resid 47 and name hn)  (resid 48 and name hb#)   5.0 3.2 0.3 
assign (resid 48 and name hn)  (resid 45 and name hb#
                          or    resid 50 and name hd#)   6.0 4.2 0.4 
assign (resid 48 and name hn) (resid 51 and name hg2#
                          or   resid 51 and name hd1#)   6.0 4.2 0.4 
assign (resid 48 and name hn) (resid 45 and name hd#)    6.0 4.2 0.4 
assign (resid 48 and name hn) (resid 47 and name hb#)    3.0 1.2 0.1 
assign (resid 48 and name hn) (resid 48 and name hb#)    3.0 1.2 0.1 
assign (resid 48 and name hn) (resid 48 and name hg#)    4.0 2.2 0.2 
assign (resid 49 and name hn)  (resid 51 and name hg1#
                          or    resid 46 and name hg#)   6.0 4.2 0.4 
assign (resid 49 and name hn)  (resid 45 and name hb#
                          or    resid 50 and name hd#)   6.0 4.2 0.4 
assign (resid 49 and name hn) (resid 47 and name hg#)    6.0 4.2 0.4 
assign (resid 49 and name hn) (resid 48 and name hb#)    4.0 2.2 0.2 
assign (resid 49 and name hn) (resid 48 and name hg1)    5.0 3.2 0.3 
assign (resid 49 and name hn) (resid 48 and name hg2)    5.0 3.2 0.3 
assign (resid 50 and name hn)  (resid 45 and name hb#
                          or    resid 50 and name hd#)   5.0 3.2 0.3 
assign (resid 50 and name hn) (resid 48 and name hb#)    4.0 2.2 0.2 
assign (resid 50 and name hn) (resid 48 and name hg1)    6.0 4.2 0.4 
assign (resid 50 and name hn) (resid 48 and name hg2)    6.0 4.2 0.4 
assign (resid 50 and name hn) (resid 51 and name hg1#)   6.0 4.2 0.4 
assign (resid 50 and name hn) (resid 21 and name hg
                          or   resid 25 and name hg2#)   6.0 4.2 0.4 
assign (resid 50 and name hn) (resid 21 and name hd2#)    6.0 4.2 0.4 
assign (resid 50 and name hn) (resid 21 and name hd1#)   6.0 4.2 0.4 
assign (resid 50 and name hn)  (resid 45 and name hd#)  5.0 3.2 0.3 
assign (resid 51 and name hn)  (resid 51 and name hg1#)  4.0 2.2 0.2 
assign (resid 51 and name hn)  (resid 45 and name hd#)  5.0 3.2 0.3 
assign (resid 51 and name hn) (resid 21 and name hd2#)   6.0 4.2 0.4 
assign (resid 52 and name hn) (resid 51 and name hb)     4.0 2.2 0.2 
assign (resid 52 and name hn) (resid 51 and name hg1#
                          or   resid 46 and name hg#)    4.0 2.2 0.2 
assign (resid 53 and name hn) (resid 51 and name hb)     4.0 2.2 0.2 
assign (resid 53 and name hn) (resid 51 and name hb)     6.0 4.2 0.4 
assign (resid 53 and name hn) (resid 51 and name hg1#)   6.0 4.2 0.4 
assign (resid 53 and name hn) (resid 51 and name hg2#
                          or   resid 51 and name hd1#)   6.0 4.2 0.4 
assign (resid 53 and name hn) (resid 53 and name hb#)    3.0 1.2 0.1 

{*hydrogen bond restraints*}
assign (resid 37 and segid "a" and name o) 
(resid 41 and segid "a" and name hn)      2.5 1.0 0.0 
assign (resid 37 and segid "b" and name o) 
(resid 41 and segid "b" and name hn)      2.5 1.0 0.0 
assign (resid 37 and segid "a" and name o) 
(resid 41 and segid "a" and name n)       3.5 1.0 0.0 
assign (resid 37 and segid "b" and name o) 
(resid 41 and segid "b" and name n)       3.5 1.0 0.0 
assign (resid 38 and segid "a" and name o) 
(resid 42 and segid "a" and name hn)      2.5 1.0 0.0 
assign (resid 38 and segid "b" and name o) 
(resid 42 and segid "b" and name hn)      2.5 1.0 0.0 
assign (resid 38 and segid "a" and name o) 
(resid 42 and segid "a" and name n)       3.5 1.0 0.0 
assign (resid 38 and segid "b" and name o) 
(resid 42 and segid "b" and name n)       3.5 1.0 0.0 
assign (resid 19 and segid "a" and name o) 
(resid 23 and segid "a" and name hn)      2.5 1.0 0.0 
assign (resid 19 and segid "b" and name o) 
(resid 23 and segid "b" and name hn)      2.5 1.0 0.0 
assign (resid 19 and segid "a" and name o) 
(resid 23 and segid "a" and name n)       3.5 1.0 0.0 
assign (resid 19 and segid "b" and name o) 
(resid 23 and segid "b" and name n)       3.5 1.0 0.0 

{*intermolecular seed restraints*}
(resid 45 and segid "b" and name he#)     4.3 2.5 0.0
assign (resid 40 and segid "b" and name he)  
(resid 45 and segid "a" and name he#)     4.3 2.5 0.0
assign (resid 38 and segid "a" and name he#)
(resid 14 and segid "b" and name he3)     4.3 2.5 0.0 
assign (resid 38 and segid "b" and name he#)
(resid 14 and segid "a" and name he3)     4.3 2.5 0.0 

{*dihedral angle restraints*}
set message=off echo=off end
restraints dihedral reset

assign ( resid  8 and segid "a" and name c )
       ( resid  9 and segid "a" and name n )
       ( resid  9 and segid "a" and name ca )
       ( resid  9 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid  9 and segid "a" and name c )
       ( resid 10 and segid "a" and name n )
       ( resid 10 and segid "a" and name ca )
       ( resid 10 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 10 and segid "a" and name c )
       ( resid 11 and segid "a" and name n )
       ( resid 11 and segid "a" and name ca )
       ( resid 11 and segid "a" and name c )  1.0  -120.0 40.0 2
assign ( resid 11 and segid "a" and name c )
       ( resid 12 and segid "a" and name n )
       ( resid 12 and segid "a" and name ca )
       ( resid 12 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 12 and segid "a" and name c )
       ( resid 13 and segid "a" and name n )
       ( resid 13 and segid "a" and name ca )
       ( resid 13 and segid "a" and name c )  1.0  -120.0 40.0 2
assign ( resid 13 and segid "a" and name c )
       ( resid 14 and segid "a" and name n )
       ( resid 14 and segid "a" and name ca )
       ( resid 14 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 15 and segid "a" and name c )
       ( resid 16 and segid "a" and name n )
       ( resid 16 and segid "a" and name ca )
       ( resid 16 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 16 and segid "a" and name c )
       ( resid 17 and segid "a" and name n )
       ( resid 17 and segid "a" and name ca )
       ( resid 17 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 18 and segid "a" and name c )
       ( resid 19 and segid "a" and name n )
       ( resid 19 and segid "a" and name ca )
       ( resid 19 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 19 and segid "a" and name c )
       ( resid 20 and segid "a" and name n )
       ( resid 20 and segid "a" and name ca )
       ( resid 20 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 20 and segid "a" and name c )
       ( resid 21 and segid "a" and name n )
       ( resid 21 and segid "a" and name ca )
       ( resid 21 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 22 and segid "a" and name c )
       ( resid 23 and segid "a" and name n )
       ( resid 23 and segid "a" and name ca )
       ( resid 23 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 23 and segid "a" and name c )
       ( resid 24 and segid "a" and name n )
       ( resid 24 and segid "a" and name ca )
       ( resid 24 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 25 and segid "a" and name c )
       ( resid 26 and segid "a" and name n )
       ( resid 26 and segid "a" and name ca )
       ( resid 26 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 26 and segid "a" and name c )
       ( resid 27 and segid "a" and name n )
       ( resid 27 and segid "a" and name ca )
       ( resid 27 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 27 and segid "a" and name c )
       ( resid 28 and segid "a" and name n )
       ( resid 28 and segid "a" and name ca )
       ( resid 28 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 31 and segid "a" and name c )
       ( resid 32 and segid "a" and name n )
       ( resid 32 and segid "a" and name ca )
       ( resid 32 and segid "a" and name c )  1.0  -120.0 40.0 2
assign ( resid 32 and segid "a" and name c )
       ( resid 33 and segid "a" and name n )
       ( resid 33 and segid "a" and name ca )
       ( resid 33 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 34 and segid "a" and name c )
       ( resid 35 and segid "a" and name n )
       ( resid 35 and segid "a" and name ca )
       ( resid 35 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 35 and segid "a" and name c )
       ( resid 36 and segid "a" and name n )
       ( resid 36 and segid "a" and name ca )
       ( resid 36 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 36 and segid "a" and name c )
       ( resid 37 and segid "a" and name n )
       ( resid 37 and segid "a" and name ca )
       ( resid 37 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 38 and segid "a" and name c )
       ( resid 39 and segid "a" and name n )
       ( resid 39 and segid "a" and name ca )
       ( resid 39 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 39 and segid "a" and name c )
       ( resid 40 and segid "a" and name n )
       ( resid 40 and segid "a" and name ca )
       ( resid 40 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 40 and segid "a" and name c )
       ( resid 41 and segid "a" and name n )
       ( resid 41 and segid "a" and name ca )
       ( resid 41 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 41 and segid "a" and name c )
       ( resid 42 and segid "a" and name n )
       ( resid 42 and segid "a" and name ca )
       ( resid 42 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 42 and segid "a" and name c )
       ( resid 43 and segid "a" and name n )
       ( resid 43 and segid "a" and name ca )
       ( resid 43 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 43 and segid "a" and name c )
       ( resid 44 and segid "a" and name n )
       ( resid 44 and segid "a" and name ca )
       ( resid 44 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 45 and segid "a" and name c )
       ( resid 46 and segid "a" and name n )
       ( resid 46 and segid "a" and name ca )
       ( resid 46 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 46 and segid "a" and name c )
       ( resid 47 and segid "a" and name n )
       ( resid 47 and segid "a" and name ca )
       ( resid 47 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 49 and segid "a" and name c )
       ( resid 50 and segid "a" and name n )
       ( resid 50 and segid "a" and name ca )
       ( resid 50 and segid "a" and name c )  1.0  -65.0 25.0 2
assign ( resid 50 and segid "a" and name c )
       ( resid 51 and segid "a" and name n )
       ( resid 51 and segid "a" and name ca )
       ( resid 51 and segid "a" and name c )  1.0  -120.0 40.0 2
assign ( resid 10 and segid "a" and name n )
       ( resid 10 and segid "a" and name ca )
       ( resid 10 and segid "a" and name cb )
       ( resid 10 and segid "a" and name cg ) 1.0  180.0 40.0 2
assign ( resid 36 and segid "a" and name n )
       ( resid 36 and segid "a" and name ca )
       ( resid 36 and segid "a" and name cb )
       ( resid 36 and segid "a" and name cg ) 1.0  180.0 40.0 2
assign ( resid 38 and segid "a" and name n )
       ( resid 38 and segid "a" and name ca )
       ( resid 38 and segid "a" and name cb )
       ( resid 38 and segid "a" and name cg ) 1.0  180.0 40.0 2
assign ( resid  8 and segid "b" and name c )
       ( resid  9 and segid "b" and name n )
       ( resid  9 and segid "b" and name ca )
       ( resid  9 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid  9 and segid "b" and name c )
       ( resid 10 and segid "b" and name n )
       ( resid 10 and segid "b" and name ca )
       ( resid 10 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 10 and segid "b" and name c )
       ( resid 11 and segid "b" and name n )
       ( resid 11 and segid "b" and name ca )
       ( resid 11 and segid "b" and name c )  1.0  -120.0 40.0 2
assign ( resid 11 and segid "b" and name c )
       ( resid 12 and segid "b" and name n )
       ( resid 12 and segid "b" and name ca )
       ( resid 12 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 12 and segid "b" and name c )
       ( resid 13 and segid "b" and name n )
       ( resid 13 and segid "b" and name ca )
       ( resid 13 and segid "b" and name c )  1.0  -120.0 40.0 2
assign ( resid 13 and segid "b" and name c )
       ( resid 14 and segid "b" and name n )
       ( resid 14 and segid "b" and name ca )
       ( resid 14 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 15 and segid "b" and name c )
       ( resid 16 and segid "b" and name n )
       ( resid 16 and segid "b" and name ca )
       ( resid 16 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 16 and segid "b" and name c )
       ( resid 17 and segid "b" and name n )
       ( resid 17 and segid "b" and name ca )
       ( resid 17 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 18 and segid "b" and name c )
       ( resid 19 and segid "b" and name n )
       ( resid 19 and segid "b" and name ca )
       ( resid 19 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 19 and segid "b" and name c )
       ( resid 20 and segid "b" and name n )
       ( resid 20 and segid "b" and name ca )
       ( resid 20 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 20 and segid "b" and name c )
       ( resid 21 and segid "b" and name n )
       ( resid 21 and segid "b" and name ca )
       ( resid 21 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 22 and segid "b" and name c )
       ( resid 23 and segid "b" and name n )
       ( resid 23 and segid "b" and name ca )
       ( resid 23 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 23 and segid "b" and name c )
       ( resid 24 and segid "b" and name n )
       ( resid 24 and segid "b" and name ca )
       ( resid 24 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 25 and segid "b" and name c )
       ( resid 26 and segid "b" and name n )
       ( resid 26 and segid "b" and name ca )
       ( resid 26 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 26 and segid "b" and name c )
       ( resid 27 and segid "b" and name n )
       ( resid 27 and segid "b" and name ca )
       ( resid 27 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 27 and segid "b" and name c )
       ( resid 28 and segid "b" and name n )
       ( resid 28 and segid "b" and name ca )
       ( resid 28 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 31 and segid "b" and name c )
       ( resid 32 and segid "b" and name n )
       ( resid 32 and segid "b" and name ca )
       ( resid 32 and segid "b" and name c )  1.0  -120.0 40.0 2
assign ( resid 32 and segid "b" and name c )
       ( resid 33 and segid "b" and name n )
       ( resid 33 and segid "b" and name ca )
       ( resid 33 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 34 and segid "b" and name c )
       ( resid 35 and segid "b" and name n )
       ( resid 35 and segid "b" and name ca )
       ( resid 35 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 35 and segid "b" and name c )
       ( resid 36 and segid "b" and name n )
       ( resid 36 and segid "b" and name ca )
       ( resid 36 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 36 and segid "b" and name c )
       ( resid 37 and segid "b" and name n )
       ( resid 37 and segid "b" and name ca )
       ( resid 37 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 38 and segid "b" and name c )
       ( resid 39 and segid "b" and name n )
       ( resid 39 and segid "b" and name ca )
       ( resid 39 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 39 and segid "b" and name c )
       ( resid 40 and segid "b" and name n )
       ( resid 40 and segid "b" and name ca )
       ( resid 40 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 40 and segid "b" and name c )
       ( resid 41 and segid "b" and name n )
       ( resid 41 and segid "b" and name ca )
       ( resid 41 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 41 and segid "b" and name c )
       ( resid 42 and segid "b" and name n )
       ( resid 42 and segid "b" and name ca )
       ( resid 42 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 42 and segid "b" and name c )
       ( resid 43 and segid "b" and name n )
       ( resid 43 and segid "b" and name ca )
       ( resid 43 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 43 and segid "b" and name c )
       ( resid 44 and segid "b" and name n )
       ( resid 44 and segid "b" and name ca )
       ( resid 44 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 45 and segid "b" and name c )
       ( resid 46 and segid "b" and name n )
       ( resid 46 and segid "b" and name ca )
       ( resid 46 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 46 and segid "b" and name c )
       ( resid 47 and segid "b" and name n )
       ( resid 47 and segid "b" and name ca )
       ( resid 47 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 49 and segid "b" and name c )
       ( resid 50 and segid "b" and name n )
       ( resid 50 and segid "b" and name ca )
       ( resid 50 and segid "b" and name c )  1.0  -65.0 25.0 2
assign ( resid 50 and segid "b" and name c )
       ( resid 51 and segid "b" and name n )
       ( resid 51 and segid "b" and name ca )
       ( resid 51 and segid "b" and name c )  1.0  -120.0 40.0 2
assign ( resid 10 and segid "b" and name n )
       ( resid 10 and segid "b" and name ca )
       ( resid 10 and segid "b" and name cb )
       ( resid 10 and segid "b" and name cg ) 1.0  180.0 40.0 2
assign ( resid 36 and segid "b" and name n )
       ( resid 36 and segid "b" and name ca )
       ( resid 36 and segid "b" and name cb )
       ( resid 36 and segid "b" and name cg ) 1.0  180.0 40.0 2
assign ( resid 38 and segid "b" and name n )
       ( resid 38 and segid "b" and name ca )
       ( resid 38 and segid "b" and name cb )
       ( resid 38 and segid "b" and name cg ) 1.0  180.0 40.0 2

end

set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  12.528 -20.847  13.309
    2   2H    MET   1          2H        MET   1  11.895 -20.622  14.871
    3   3H    MET   1          3H        MET   1  12.344 -19.280  13.933
    4    HA   MET   1           HA       MET   1  10.526 -19.498  12.497
    5   1HB   MET   1          1HB       MET   1  10.754 -22.297  13.529
    6   2HB   MET   1          2HB       MET   1   9.181 -21.766  12.934
    7   1HG   MET   1          1HG       MET   1  10.481 -20.906  10.864
    8   2HG   MET   1          2HG       MET   1  11.791 -21.941  11.434
    9   1HE   MET   1          1HE       MET   1  10.561 -22.472   8.548
   10   2HE   MET   1          2HE       MET   1  10.667 -24.225   8.683
   11   3HE   MET   1          3HE       MET   1  11.909 -23.214   9.420
   12    H    LYS   2           H        LYS   2  10.999 -18.914  15.525
   13    HA   LYS   2           HA       LYS   2   8.379 -19.390  16.746
   14   1HB   LYS   2          1HB       LYS   2  10.822 -17.754  17.493
   15   2HB   LYS   2          2HB       LYS   2   9.431 -17.982  18.555
   16   1HG   LYS   2          1HG       LYS   2  10.205 -20.550  17.579
   17   2HG   LYS   2          2HG       LYS   2  11.658 -19.736  18.159
   18   1HD   LYS   2          1HD       LYS   2   9.124 -19.737  19.795
   19   2HD   LYS   2          2HD       LYS   2  10.261 -21.084  19.880
   20   1HE   LYS   2          1HE       LYS   2  11.573 -19.890  21.283
   21   2HE   LYS   2          2HE       LYS   2  11.740 -18.619  20.055
   22   1HZ   LYS   2          1HZ       LYS   2   9.797 -17.568  20.772
   23   2HZ   LYS   2          2HZ       LYS   2  10.584 -17.984  22.220
   24   3HZ   LYS   2          3HZ       LYS   2   9.275 -18.912  21.664
   25    H    GLY   3           H        GLY   3   6.998 -18.284  15.158
   26   1HA   GLY   3          1HA       GLY   3   6.428 -15.557  15.856
   27   2HA   GLY   3          2HA       GLY   3   7.266 -15.611  14.305
   28    H    MET   4           H        MET   4   4.508 -14.785  14.734
   29    HA   MET   4           HA       MET   4   3.070 -16.965  13.253
   30   1HB   MET   4          1HB       MET   4   2.453 -15.273  15.565
   31   2HB   MET   4          2HB       MET   4   1.183 -15.234  14.342
   32   1HG   MET   4          1HG       MET   4   1.604 -17.869  14.347
   33   2HG   MET   4          2HG       MET   4   2.169 -17.530  15.983
   34   1HE   MET   4          1HE       MET   4  -0.122 -18.719  14.009
   35   2HE   MET   4          2HE       MET   4  -1.391 -17.529  13.733
   36   3HE   MET   4          3HE       MET   4  -1.627 -18.794  14.937
   37    H    SER   5           H        SER   5   3.081 -13.402  13.691
   38    HA   SER   5           HA       SER   5   1.692 -12.850  11.227
   39   1HB   SER   5          1HB       SER   5   2.145 -10.589  11.820
   40   2HB   SER   5          2HB       SER   5   2.041 -11.438  13.360
   41    HG   SER   5           HG       SER   5   3.957 -10.602  13.643
   42    H    LYS   6           H        LYS   6   2.764 -11.562   9.419
   43    HA   LYS   6           HA       LYS   6   5.638 -11.880   8.999
   44   1HB   LYS   6          1HB       LYS   6   5.423 -13.518   7.179
   45   2HB   LYS   6          2HB       LYS   6   4.728 -14.180   8.657
   46   1HG   LYS   6          1HG       LYS   6   2.502 -13.095   7.732
   47   2HG   LYS   6          2HG       LYS   6   3.339 -13.205   6.183
   48   1HD   LYS   6          1HD       LYS   6   3.049 -15.547   8.083
   49   2HD   LYS   6          2HD       LYS   6   1.925 -15.225   6.761
   50   1HE   LYS   6          1HE       LYS   6   4.076 -15.152   5.266
   51   2HE   LYS   6          2HE       LYS   6   4.825 -16.035   6.612
   52   1HZ   LYS   6          1HZ       LYS   6   3.567 -17.351   4.785
   53   2HZ   LYS   6          2HZ       LYS   6   2.174 -16.855   5.619
   54   3HZ   LYS   6          3HZ       LYS   6   3.358 -17.782   6.411
   55    H    MET   7           H        MET   7   6.324 -10.514   7.314
   56    HA   MET   7           HA       MET   7   4.644  -8.410   6.428
   57   1HB   MET   7          1HB       MET   7   7.322  -9.520   5.871
   58   2HB   MET   7          2HB       MET   7   6.637  -8.579   4.544
   59   1HG   MET   7          1HG       MET   7   6.627  -6.617   5.754
   60   2HG   MET   7          2HG       MET   7   6.399  -7.445   7.294
   61   1HE   MET   7          1HE       MET   7   8.305  -5.121   7.354
   62   2HE   MET   7          2HE       MET   7   8.499  -5.238   5.608
   63   3HE   MET   7          3HE       MET   7   9.916  -5.307   6.650
   64    HA   PRO   8           HA       PRO   8   2.347 -10.429   3.231
   65   1HB   PRO   8          1HB       PRO   8   1.490  -8.217   1.867
   66   2HB   PRO   8          2HB       PRO   8   0.807  -8.718   3.426
   67   1HG   PRO   8          1HG       PRO   8   2.791  -6.587   2.830
   68   2HG   PRO   8          2HG       PRO   8   1.474  -6.605   4.010
   69   1HD   PRO   8          1HD       PRO   8   4.093  -7.015   4.656
   70   2HD   PRO   8          2HD       PRO   8   2.729  -7.661   5.594
   71    H    GLN   9           H        GLN   9   2.758 -11.122   1.110
   72    HA   GLN   9           HA       GLN   9   5.329 -10.695  -0.048
   73   1HB   GLN   9          1HB       GLN   9   2.699 -11.660  -1.220
   74   2HB   GLN   9          2HB       GLN   9   4.273 -11.880  -1.985
   75   1HG   GLN   9          1HG       GLN   9   3.652 -12.860   0.812
   76   2HG   GLN   9          2HG       GLN   9   3.448 -13.863  -0.624
   77   1HE2  GLN   9          1HE2      GLN   9   5.767 -12.658   1.652
   78   2HE2  GLN   9          2HE2      GLN   9   7.152 -13.284   0.896
   79    H    PHE  10           H        PHE  10   2.438  -8.786  -0.196
   80    HA   PHE  10           HA       PHE  10   2.830  -7.529  -2.753
   81   1HB   PHE  10          1HB       PHE  10   0.740  -7.570  -1.382
   82   2HB   PHE  10          2HB       PHE  10   1.517  -6.493  -0.222
   83    HD1  PHE  10           HD1      PHE  10   1.321  -4.168  -0.498
   84    HD2  PHE  10           HD2      PHE  10   0.788  -6.774  -3.898
   85    HE1  PHE  10           HE1      PHE  10   0.701  -2.207  -1.904
   86    HE2  PHE  10           HE2      PHE  10   0.168  -4.811  -5.304
   87    HZ   PHE  10           HZ       PHE  10   0.123  -2.526  -4.306
   88    H    LEU  11           H        LEU  11   3.969  -6.757   0.529
   89    HA   LEU  11           HA       LEU  11   5.326  -4.309  -0.439
   90   1HB   LEU  11          1HB       LEU  11   5.141  -5.662   2.275
   91   2HB   LEU  11          2HB       LEU  11   5.809  -4.055   1.983
   92    HG   LEU  11           HG       LEU  11   2.978  -4.858   1.258
   93   1HD1  LEU  11          1HD1      LEU  11   3.587  -4.826   3.767
   94   2HD1  LEU  11          2HD1      LEU  11   2.230  -3.818   3.255
   95   3HD1  LEU  11          3HD1      LEU  11   3.806  -3.086   3.560
   96   1HD2  LEU  11          1HD2      LEU  11   3.005  -2.160   1.496
   97   2HD2  LEU  11          2HD2      LEU  11   3.322  -2.991  -0.029
   98   3HD2  LEU  11          3HD2      LEU  11   4.666  -2.430   0.968
   99    H    ASN  12           H        ASN  12   6.133  -7.227  -1.133
  100    HA   ASN  12           HA       ASN  12   8.696  -7.683   0.152
  101   1HB   ASN  12          1HB       ASN  12   6.930  -9.188  -1.201
  102   2HB   ASN  12          2HB       ASN  12   8.005  -8.785  -2.539
  103   1HD2  ASN  12          1HD2      ASN  12   7.719 -11.459  -1.335
  104   2HD2  ASN  12          2HD2      ASN  12   9.236 -11.870  -0.693
  105    H    ARG  13           H        ARG  13   7.618  -5.704  -2.498
  106    HA   ARG  13           HA       ARG  13  10.344  -5.497  -3.643
  107   1HB   ARG  13          1HB       ARG  13   7.547  -4.858  -4.415
  108   2HB   ARG  13          2HB       ARG  13   8.801  -3.817  -5.092
  109   1HG   ARG  13          1HG       ARG  13   9.716  -5.504  -6.352
  110   2HG   ARG  13          2HG       ARG  13   9.319  -6.746  -5.163
  111   1HD   ARG  13          1HD       ARG  13   7.286  -7.176  -6.118
  112   2HD   ARG  13          2HD       ARG  13   6.976  -5.459  -6.444
  113    HE   ARG  13           HE       ARG  13   9.056  -6.851  -8.055
  114   1HH1  ARG  13          1HH1      ARG  13   7.344  -4.119  -8.191
  115   2HH1  ARG  13          2HH1      ARG  13   6.528  -4.420  -9.689
  116   1HH2  ARG  13          1HH2      ARG  13   7.431  -7.768  -9.810
  117   2HH2  ARG  13          2HH2      ARG  13   6.579  -6.486 -10.607
  118    H    TRP  14           H        TRP  14   8.279  -3.819  -1.436
  119    HA   TRP  14           HA       TRP  14   9.240  -1.141  -1.756
  120   1HB   TRP  14          1HB       TRP  14   8.043  -2.769   0.487
  121   2HB   TRP  14          2HB       TRP  14   8.426  -1.065   0.672
  122    HD1  TRP  14           HD1      TRP  14   7.058  -2.515  -2.612
  123    HE1  TRP  14           HE1      TRP  14   4.739  -1.473  -3.053
  124    HE3  TRP  14           HE3      TRP  14   6.441   0.029   1.744
  125    HZ2  TRP  14           HZ2      TRP  14   2.842   0.246  -1.702
  126    HZ3  TRP  14           HZ3      TRP  14   4.374   1.363   2.172
  127    HH2  TRP  14           HH2      TRP  14   2.580   1.473   0.452
  128    HA   PRO  15           HA       PRO  15  13.319  -1.704  -0.145
  129   1HB   PRO  15          1HB       PRO  15  13.844   0.859   0.671
  130   2HB   PRO  15          2HB       PRO  15  13.880   0.347  -1.027
  131   1HG   PRO  15          1HG       PRO  15  11.744   1.779   0.474
  132   2HG   PRO  15          2HG       PRO  15  12.311   2.025  -1.186
  133   1HD   PRO  15          1HD       PRO  15  10.025   0.683  -0.587
  134   2HD   PRO  15          2HD       PRO  15  11.012   0.324  -2.022
  135    H    ARG  16           H        ARG  16  14.534  -1.314   1.962
  136    HA   ARG  16           HA       ARG  16  12.827  -2.005   4.203
  137   1HB   ARG  16          1HB       ARG  16  14.785  -3.152   4.382
  138   2HB   ARG  16          2HB       ARG  16  15.639  -2.021   3.353
  139   1HG   ARG  16          1HG       ARG  16  16.312  -0.698   5.110
  140   2HG   ARG  16          2HG       ARG  16  14.952  -1.161   6.133
  141   1HD   ARG  16          1HD       ARG  16  16.750  -2.324   7.127
  142   2HD   ARG  16          2HD       ARG  16  16.059  -3.553   6.048
  143    HE   ARG  16           HE       ARG  16  18.200  -1.786   4.976
  144   1HH1  ARG  16          1HH1      ARG  16  18.804  -4.145   6.983
  145   2HH1  ARG  16          2HH1      ARG  16  19.336  -5.343   5.851
  146   1HH2  ARG  16          1HH2      ARG  16  18.136  -3.641   3.079
  147   2HH2  ARG  16          2HH2      ARG  16  18.956  -5.058   3.642
  148    H    GLU  17           H        GLU  17  14.397   0.885   2.987
  149    HA   GLU  17           HA       GLU  17  14.364   2.402   5.436
  150   1HB   GLU  17          1HB       GLU  17  14.826   2.783   2.544
  151   2HB   GLU  17          2HB       GLU  17  14.228   4.220   3.377
  152   1HG   GLU  17          1HG       GLU  17  16.028   3.833   5.122
  153   2HG   GLU  17          2HG       GLU  17  16.696   2.599   4.052
  154    H    VAL  18           H        VAL  18  11.894   1.498   3.168
  155    HA   VAL  18           HA       VAL  18  10.060   3.616   4.197
  156    HB   VAL  18           HB       VAL  18   9.830   1.623   1.907
  157   1HG1  VAL  18          1HG1      VAL  18   8.154   4.098   2.342
  158   2HG1  VAL  18          2HG1      VAL  18   7.691   2.550   3.050
  159   3HG1  VAL  18          3HG1      VAL  18   7.824   2.715   1.299
  160   1HG2  VAL  18          1HG2      VAL  18  11.599   3.395   1.658
  161   2HG2  VAL  18          2HG2      VAL  18  10.347   4.619   1.867
  162   3HG2  VAL  18          3HG2      VAL  18  10.301   3.539   0.473
  163    H    LEU  19           H        LEU  19  10.458   0.106   3.942
  164    HA   LEU  19           HA       LEU  19   7.921  -0.638   5.044
  165   1HB   LEU  19          1HB       LEU  19  10.621  -1.873   4.629
  166   2HB   LEU  19          2HB       LEU  19   9.428  -2.743   5.596
  167    HG   LEU  19           HG       LEU  19   8.865  -1.659   2.826
  168   1HD1  LEU  19          1HD1      LEU  19  10.240  -4.100   3.723
  169   2HD1  LEU  19          2HD1      LEU  19  10.199  -3.355   2.125
  170   3HD1  LEU  19          3HD1      LEU  19   8.883  -4.409   2.640
  171   1HD2  LEU  19          1HD2      LEU  19   7.289  -2.871   4.950
  172   2HD2  LEU  19          2HD2      LEU  19   7.212  -3.834   3.472
  173   3HD2  LEU  19          3HD2      LEU  19   6.744  -2.133   3.444
  174    H    ASP  20           H        ASP  20  11.032   0.166   6.511
  175    HA   ASP  20           HA       ASP  20  10.429  -0.743   9.174
  176   1HB   ASP  20          1HB       ASP  20  12.649  -0.036   8.018
  177   2HB   ASP  20          2HB       ASP  20  12.189   1.606   8.466
  178    H    LEU  21           H        LEU  21   9.707   2.211   7.407
  179    HA   LEU  21           HA       LEU  21   8.808   3.699   9.765
  180   1HB   LEU  21          1HB       LEU  21   9.810   4.760   7.787
  181   2HB   LEU  21          2HB       LEU  21   8.526   4.109   6.769
  182    HG   LEU  21           HG       LEU  21   6.885   5.365   8.268
  183   1HD1  LEU  21          1HD1      LEU  21   8.198   5.852  10.192
  184   2HD1  LEU  21          2HD1      LEU  21   8.013   7.398   9.364
  185   3HD1  LEU  21          3HD1      LEU  21   9.521   6.494   9.221
  186   1HD2  LEU  21          1HD2      LEU  21   7.414   6.183   6.045
  187   2HD2  LEU  21          2HD2      LEU  21   8.937   6.865   6.613
  188   3HD2  LEU  21          3HD2      LEU  21   7.407   7.558   7.148
  189    H    VAL  22           H        VAL  22   7.300   1.871   7.107
  190    HA   VAL  22           HA       VAL  22   4.577   2.515   7.591
  191    HB   VAL  22           HB       VAL  22   5.848  -0.077   6.647
  192   1HG1  VAL  22          1HG1      VAL  22   3.188   1.064   5.799
  193   2HG1  VAL  22          2HG1      VAL  22   3.326   0.039   7.229
  194   3HG1  VAL  22          3HG1      VAL  22   3.776  -0.593   5.646
  195   1HG2  VAL  22          1HG2      VAL  22   5.960   2.551   5.552
  196   2HG2  VAL  22          2HG2      VAL  22   4.867   1.609   4.538
  197   3HG2  VAL  22          3HG2      VAL  22   6.517   1.047   4.813
  198    H    ARG  23           H        ARG  23   6.477  -0.281   8.769
  199    HA   ARG  23           HA       ARG  23   4.485  -1.470  10.389
  200   1HB   ARG  23          1HB       ARG  23   6.757  -2.336   9.669
  201   2HB   ARG  23          2HB       ARG  23   7.465  -1.324  10.929
  202   1HG   ARG  23          1HG       ARG  23   6.906  -2.801  12.537
  203   2HG   ARG  23          2HG       ARG  23   5.240  -2.884  11.961
  204   1HD   ARG  23          1HD       ARG  23   5.896  -5.068  11.509
  205   2HD   ARG  23          2HD       ARG  23   6.430  -4.305   9.998
  206    HE   ARG  23           HE       ARG  23   8.675  -3.979  11.182
  207   1HH1  ARG  23          1HH1      ARG  23   7.690  -6.904  10.499
  208   2HH1  ARG  23          2HH1      ARG  23   8.317  -7.735  11.882
  209   1HH2  ARG  23          1HH2      ARG  23   8.941  -4.832  13.676
  210   2HH2  ARG  23          2HH2      ARG  23   9.026  -6.562  13.682
  211    H    LYS  24           H        LYS  24   6.875   1.054  11.223
  212    HA   LYS  24           HA       LYS  24   6.095   1.209  14.011
  213   1HB   LYS  24          1HB       LYS  24   7.660   2.939  12.085
  214   2HB   LYS  24          2HB       LYS  24   7.454   3.378  13.782
  215   1HG   LYS  24          1HG       LYS  24   8.363   0.599  13.178
  216   2HG   LYS  24          2HG       LYS  24   9.531   1.903  12.963
  217   1HD   LYS  24          1HD       LYS  24   9.809   2.107  15.187
  218   2HD   LYS  24          2HD       LYS  24   8.071   2.257  15.439
  219   1HE   LYS  24          1HE       LYS  24   7.782  -0.062  15.727
  220   2HE   LYS  24          2HE       LYS  24   9.303  -0.446  14.894
  221   1HZ   LYS  24          1HZ       LYS  24   9.499  -0.583  17.337
  222   2HZ   LYS  24          2HZ       LYS  24   9.111   1.068  17.444
  223   3HZ   LYS  24          3HZ       LYS  24  10.538   0.577  16.663
  224    H    VAL  25           H        VAL  25   4.767   2.526  11.086
  225    HA   VAL  25           HA       VAL  25   3.437   4.794  12.403
  226    HB   VAL  25           HB       VAL  25   3.345   3.524   9.650
  227   1HG1  VAL  25          1HG1      VAL  25   2.191   5.750   9.055
  228   2HG1  VAL  25          2HG1      VAL  25   1.848   5.893  10.780
  229   3HG1  VAL  25          3HG1      VAL  25   1.204   4.531   9.864
  230   1HG2  VAL  25          1HG2      VAL  25   4.254   6.308  10.102
  231   2HG2  VAL  25          2HG2      VAL  25   4.941   5.052   9.072
  232   3HG2  VAL  25          3HG2      VAL  25   5.280   5.055  10.801
  233    H    ALA  26           H        ALA  26   2.550   1.530  11.292
  234    HA   ALA  26           HA       ALA  26  -0.289   1.804  11.677
  235   1HB   ALA  26          1HB       ALA  26   0.021  -0.790  11.886
  236   2HB   ALA  26          2HB       ALA  26   1.713  -0.442  11.522
  237   3HB   ALA  26          3HB       ALA  26   0.452  -0.005  10.365
  238    H    GLU  27           H        GLU  27   2.379   0.860  13.819
  239    HA   GLU  27           HA       GLU  27   0.697   0.050  16.039
  240   1HB   GLU  27          1HB       GLU  27   3.269  -0.302  15.341
  241   2HB   GLU  27          2HB       GLU  27   3.475   1.081  16.416
  242   1HG   GLU  27          1HG       GLU  27   2.562  -0.075  18.270
  243   2HG   GLU  27          2HG       GLU  27   1.851  -1.323  17.245
  244    H    GLU  28           H        GLU  28   1.896   3.105  14.840
  245    HA   GLU  28           HA       GLU  28   1.551   4.570  17.346
  246   1HB   GLU  28          1HB       GLU  28   2.257   5.079  14.497
  247   2HB   GLU  28          2HB       GLU  28   1.610   6.449  15.401
  248   1HG   GLU  28          1HG       GLU  28   3.312   5.793  17.232
  249   2HG   GLU  28          2HG       GLU  28   4.082   4.822  15.979
  250    H    ASN  29           H        ASN  29  -0.304   4.181  14.333
  251    HA   ASN  29           HA       ASN  29  -2.446   5.971  15.044
  252   1HB   ASN  29          1HB       ASN  29  -2.246   3.596  13.166
  253   2HB   ASN  29          2HB       ASN  29  -3.581   4.750  13.166
  254   1HD2  ASN  29          1HD2      ASN  29  -2.944   5.423  10.946
  255   2HD2  ASN  29          2HD2      ASN  29  -1.603   6.437  10.714
  256    H    GLY  30           H        GLY  30  -2.073   2.421  15.314
  257   1HA   GLY  30          1HA       GLY  30  -2.974   1.403  17.422
  258   2HA   GLY  30          2HA       GLY  30  -4.371   2.460  17.229
  259    H    ARG  31           H        ARG  31  -2.780   0.638  14.624
  260    HA   ARG  31           HA       ARG  31  -4.907  -1.397  14.610
  261   1HB   ARG  31          1HB       ARG  31  -5.822  -0.676  12.455
  262   2HB   ARG  31          2HB       ARG  31  -5.925   0.649  13.610
  263   1HG   ARG  31          1HG       ARG  31  -3.803   1.577  12.687
  264   2HG   ARG  31          2HG       ARG  31  -3.798   0.290  11.480
  265   1HD   ARG  31          1HD       ARG  31  -5.100   1.615  10.177
  266   2HD   ARG  31          2HD       ARG  31  -6.388   1.444  11.386
  267    HE   ARG  31           HE       ARG  31  -4.252   3.518  11.700
  268   1HH1  ARG  31          1HH1      ARG  31  -6.470   3.044  13.738
  269   2HH1  ARG  31          2HH1      ARG  31  -7.581   4.307  13.323
  270   1HH2  ARG  31          1HH2      ARG  31  -6.143   4.914  10.224
  271   2HH2  ARG  31          2HH2      ARG  31  -7.394   5.368  11.333
  272    H    SER  32           H        SER  32  -4.632  -2.306  12.007
  273    HA   SER  32           HA       SER  32  -1.943  -3.481  12.068
  274   1HB   SER  32          1HB       SER  32  -4.194  -3.793  10.065
  275   2HB   SER  32          2HB       SER  32  -2.871  -4.920  10.360
  276    HG   SER  32           HG       SER  32  -3.714  -5.048  12.556
  277    H    VAL  33           H        VAL  33  -0.834  -3.663   9.809
  278    HA   VAL  33           HA       VAL  33  -0.338  -0.942   8.846
  279    HB   VAL  33           HB       VAL  33   0.765  -3.689   8.188
  280   1HG1  VAL  33          1HG1      VAL  33   2.690  -2.310   7.283
  281   2HG1  VAL  33          2HG1      VAL  33   1.630  -0.905   7.390
  282   3HG1  VAL  33          3HG1      VAL  33   1.211  -2.247   6.327
  283   1HG2  VAL  33          1HG2      VAL  33   0.982  -2.553  10.544
  284   2HG2  VAL  33          2HG2      VAL  33   2.152  -1.511   9.730
  285   3HG2  VAL  33          3HG2      VAL  33   2.416  -3.256   9.790
  286    H    ASN  34           H        ASN  34  -2.040  -3.828   7.776
  287    HA   ASN  34           HA       ASN  34  -2.204  -3.293   4.971
  288   1HB   ASN  34          1HB       ASN  34  -2.969  -5.295   6.514
  289   2HB   ASN  34          2HB       ASN  34  -4.491  -4.405   6.588
  290   1HD2  ASN  34          1HD2      ASN  34  -5.827  -4.385   4.709
  291   2HD2  ASN  34          2HD2      ASN  34  -5.440  -5.229   3.289
  292    H    SER  35           H        SER  35  -3.809  -1.869   7.739
  293    HA   SER  35           HA       SER  35  -5.771  -0.427   6.060
  294   1HB   SER  35          1HB       SER  35  -6.117  -1.464   8.408
  295   2HB   SER  35          2HB       SER  35  -5.199  -0.086   9.012
  296    HG   SER  35           HG       SER  35  -7.424   0.361   9.001
  297    H    GLU  36           H        GLU  36  -2.715   0.127   7.755
  298    HA   GLU  36           HA       GLU  36  -2.711   2.976   7.774
  299   1HB   GLU  36          1HB       GLU  36  -1.158   1.435   8.967
  300   2HB   GLU  36          2HB       GLU  36  -0.449   0.978   7.416
  301   1HG   GLU  36          1HG       GLU  36  -0.060   3.504   7.076
  302   2HG   GLU  36          2HG       GLU  36  -0.349   3.639   8.810
  303    H    ILE  37           H        ILE  37  -1.152   0.744   5.442
  304    HA   ILE  37           HA       ILE  37  -0.413   2.691   3.513
  305    HB   ILE  37           HB       ILE  37  -1.195  -0.236   3.265
  306   1HG1  ILE  37          1HG1      ILE  37   0.646   0.274   4.866
  307   2HG1  ILE  37          2HG1      ILE  37   1.211  -0.644   3.472
  308   1HG2  ILE  37          1HG2      ILE  37  -0.661   1.640   1.218
  309   2HG2  ILE  37          2HG2      ILE  37  -0.741  -0.116   1.062
  310   3HG2  ILE  37          3HG2      ILE  37   0.805   0.671   1.385
  311   1HD1  ILE  37          1HD1      ILE  37   1.368   2.117   2.792
  312   2HD1  ILE  37          2HD1      ILE  37   2.693   0.978   3.016
  313   3HD1  ILE  37          3HD1      ILE  37   2.102   1.922   4.383
  314    H    TYR  38           H        TYR  38  -3.506   1.149   4.181
  315    HA   TYR  38           HA       TYR  38  -4.786   1.787   1.673
  316   1HB   TYR  38          1HB       TYR  38  -5.574   0.038   3.164
  317   2HB   TYR  38          2HB       TYR  38  -5.764   1.193   4.482
  318    HD1  TYR  38           HD1      TYR  38  -7.953   1.805   4.930
  319    HD2  TYR  38           HD2      TYR  38  -6.783   0.985   0.864
  320    HE1  TYR  38           HE1      TYR  38 -10.270   2.312   4.164
  321    HE2  TYR  38           HE2      TYR  38  -9.103   1.490   0.092
  322    HH   TYR  38           HH       TYR  38 -11.710   2.112   2.392
  323    H    GLN  39           H        GLN  39  -4.403   3.491   4.761
  324    HA   GLN  39           HA       GLN  39  -6.269   5.631   4.113
  325   1HB   GLN  39          1HB       GLN  39  -5.221   4.676   6.370
  326   2HB   GLN  39          2HB       GLN  39  -4.001   5.909   6.054
  327   1HG   GLN  39          1HG       GLN  39  -5.797   6.823   7.463
  328   2HG   GLN  39          2HG       GLN  39  -5.782   7.619   5.890
  329   1HE2  GLN  39          1HE2      GLN  39  -7.107   4.388   6.751
  330   2HE2  GLN  39          2HE2      GLN  39  -8.695   4.746   6.271
  331    H    ARG  40           H        ARG  40  -2.684   5.502   4.312
  332    HA   ARG  40           HA       ARG  40  -2.167   8.103   3.299
  333   1HB   ARG  40          1HB       ARG  40  -0.699   5.460   3.275
  334   2HB   ARG  40          2HB       ARG  40   0.036   6.920   2.613
  335   1HG   ARG  40          1HG       ARG  40   0.566   7.633   4.678
  336   2HG   ARG  40          2HG       ARG  40  -1.123   7.527   5.176
  337   1HD   ARG  40          1HD       ARG  40  -0.863   5.179   5.760
  338   2HD   ARG  40          2HD       ARG  40   0.791   5.166   5.116
  339    HE   ARG  40           HE       ARG  40   1.495   6.258   7.088
  340   1HH1  ARG  40          1HH1      ARG  40  -1.698   5.487   7.516
  341   2HH1  ARG  40          2HH1      ARG  40  -2.069   6.779   8.607
  342   1HH2  ARG  40          1HH2      ARG  40   0.947   8.420   8.109
  343   2HH2  ARG  40          2HH2      ARG  40  -0.570   8.442   8.944
  344    H    VAL  41           H        VAL  41  -3.190   5.191   1.690
  345    HA   VAL  41           HA       VAL  41  -2.479   6.158  -1.011
  346    HB   VAL  41           HB       VAL  41  -3.771   3.710   0.215
  347   1HG1  VAL  41          1HG1      VAL  41  -3.175   4.076  -2.731
  348   2HG1  VAL  41          2HG1      VAL  41  -4.791   4.252  -2.047
  349   3HG1  VAL  41          3HG1      VAL  41  -3.958   2.701  -1.955
  350   1HG2  VAL  41          1HG2      VAL  41  -1.239   4.239   0.234
  351   2HG2  VAL  41          2HG2      VAL  41  -1.293   3.878  -1.491
  352   3HG2  VAL  41          3HG2      VAL  41  -1.738   2.642  -0.315
  353    H    MET  42           H        MET  42  -5.236   5.964   1.136
  354    HA   MET  42           HA       MET  42  -7.292   6.434  -0.854
  355   1HB   MET  42          1HB       MET  42  -6.997   5.906   1.945
  356   2HB   MET  42          2HB       MET  42  -8.029   7.320   1.765
  357   1HG   MET  42          1HG       MET  42  -8.546   5.027  -0.064
  358   2HG   MET  42          2HG       MET  42  -8.997   4.820   1.627
  359   1HE   MET  42          1HE       MET  42 -11.700   4.622   0.592
  360   2HE   MET  42          2HE       MET  42 -12.380   5.930   1.562
  361   3HE   MET  42          3HE       MET  42 -11.050   4.962   2.199
  362    H    GLU  43           H        GLU  43  -5.142   8.496   1.011
  363    HA   GLU  43           HA       GLU  43  -6.706  10.936   0.507
  364   1HB   GLU  43          1HB       GLU  43  -4.268  10.072   1.971
  365   2HB   GLU  43          2HB       GLU  43  -4.294  11.755   1.441
  366   1HG   GLU  43          1HG       GLU  43  -6.786  11.604   2.428
  367   2HG   GLU  43          2HG       GLU  43  -6.026  10.366   3.430
  368    H    SER  44           H        SER  44  -4.133   9.166  -1.049
  369    HA   SER  44           HA       SER  44  -2.926  11.319  -2.522
  370   1HB   SER  44          1HB       SER  44  -2.065   9.449  -3.896
  371   2HB   SER  44          2HB       SER  44  -1.958   9.070  -2.180
  372    HG   SER  44           HG       SER  44  -3.823   8.160  -4.100
  373    H    PHE  45           H        PHE  45  -5.512   8.998  -3.404
  374    HA   PHE  45           HA       PHE  45  -6.004   9.982  -6.029
  375   1HB   PHE  45          1HB       PHE  45  -7.697   8.608  -3.924
  376   2HB   PHE  45          2HB       PHE  45  -8.259   8.872  -5.574
  377    HD1  PHE  45           HD1      PHE  45  -7.057   6.373  -3.614
  378    HD2  PHE  45           HD2      PHE  45  -6.038   8.378  -7.298
  379    HE1  PHE  45           HE1      PHE  45  -5.813   4.352  -4.371
  380    HE2  PHE  45           HE2      PHE  45  -4.794   6.357  -8.054
  381    HZ   PHE  45           HZ       PHE  45  -4.683   4.342  -6.592
  382    H    LYS  46           H        LYS  46  -7.301  10.989  -2.867
  383    HA   LYS  46           HA       LYS  46  -9.304  12.793  -3.861
  384   1HB   LYS  46          1HB       LYS  46  -7.703  12.586  -1.296
  385   2HB   LYS  46          2HB       LYS  46  -9.029  13.730  -1.504
  386   1HG   LYS  46          1HG       LYS  46 -10.430  11.684  -2.221
  387   2HG   LYS  46          2HG       LYS  46  -9.141  10.715  -1.511
  388   1HD   LYS  46          1HD       LYS  46  -9.416  12.101   0.601
  389   2HD   LYS  46          2HD       LYS  46 -10.880  12.767  -0.124
  390   1HE   LYS  46          1HE       LYS  46 -11.970  10.662  -0.126
  391   2HE   LYS  46          2HE       LYS  46 -10.450   9.780   0.114
  392   1HZ   LYS  46          1HZ       LYS  46 -11.520   9.942   2.224
  393   2HZ   LYS  46          2HZ       LYS  46 -11.790  11.609   2.033
  394   3HZ   LYS  46          3HZ       LYS  46 -10.210  11.017   2.243
  395    H    LYS  47           H        LYS  47  -5.833  13.091  -3.410
  396    HA   LYS  47           HA       LYS  47  -5.449  15.866  -3.254
  397   1HB   LYS  47          1HB       LYS  47  -3.741  14.030  -3.188
  398   2HB   LYS  47          2HB       LYS  47  -3.904  13.866  -4.936
  399   1HG   LYS  47          1HG       LYS  47  -2.964  15.980  -5.348
  400   2HG   LYS  47          2HG       LYS  47  -3.278  16.544  -3.706
  401   1HD   LYS  47          1HD       LYS  47  -1.586  15.013  -2.825
  402   2HD   LYS  47          2HD       LYS  47  -1.306  14.360  -4.440
  403   1HE   LYS  47          1HE       LYS  47  -1.012  17.321  -3.928
  404   2HE   LYS  47          2HE       LYS  47   0.325  16.204  -3.588
  405   1HZ   LYS  47          1HZ       LYS  47   0.352  17.030  -5.897
  406   2HZ   LYS  47          2HZ       LYS  47  -1.172  16.323  -6.153
  407   3HZ   LYS  47          3HZ       LYS  47   0.176  15.345  -5.816
  408    H    GLU  48           H        GLU  48  -6.016  13.889  -6.177
  409    HA   GLU  48           HA       GLU  48  -6.109  16.347  -7.844
  410   1HB   GLU  48          1HB       GLU  48  -4.959  14.012  -8.303
  411   2HB   GLU  48          2HB       GLU  48  -6.581  13.543  -8.814
  412   1HG   GLU  48          1HG       GLU  48  -6.395  15.891 -10.113
  413   2HG   GLU  48          2HG       GLU  48  -4.685  15.465 -10.062
  414    H    GLY  49           H        GLY  49  -8.217  13.993  -6.364
  415   1HA   GLY  49          1HA       GLY  49 -10.580  14.356  -6.058
  416   2HA   GLY  49          2HA       GLY  49 -10.550  15.475  -7.423
  417    H    ARG  50           H        ARG  50  -9.340  12.131  -7.182
  418    HA   ARG  50           HA       ARG  50 -10.690  11.475  -9.724
  419   1HB   ARG  50          1HB       ARG  50  -8.583  10.362  -7.938
  420   2HB   ARG  50          2HB       ARG  50  -9.461   9.208  -8.942
  421   1HG   ARG  50          1HG       ARG  50  -8.853  10.362 -10.954
  422   2HG   ARG  50          2HG       ARG  50  -8.219  11.735 -10.047
  423   1HD   ARG  50          1HD       ARG  50  -6.198  10.694 -10.278
  424   2HD   ARG  50          2HD       ARG  50  -6.782   9.608  -9.000
  425    HE   ARG  50           HE       ARG  50  -7.265   7.968 -10.660
  426   1HH1  ARG  50          1HH1      ARG  50  -5.053   9.978 -11.925
  427   2HH1  ARG  50          2HH1      ARG  50  -5.554   9.860 -13.579
  428   1HH2  ARG  50          1HH2      ARG  50  -8.541   8.266 -12.839
  429   2HH2  ARG  50          2HH2      ARG  50  -7.528   8.892 -14.096
  430    H    ILE  51           H        ILE  51 -10.930  10.669  -6.279
  431    HA   ILE  51           HA       ILE  51 -12.940   8.573  -6.711
  432    HB   ILE  51           HB       ILE  51 -11.920  10.051  -4.261
  433   1HG1  ILE  51          1HG1      ILE  51 -11.280   7.279  -5.315
  434   2HG1  ILE  51          2HG1      ILE  51 -10.250   8.694  -5.552
  435   1HG2  ILE  51          1HG2      ILE  51 -14.170   8.312  -4.584
  436   2HG2  ILE  51          2HG2      ILE  51 -13.530   8.999  -3.092
  437   3HG2  ILE  51          3HG2      ILE  51 -12.930   7.445  -3.676
  438   1HD1  ILE  51          1HD1      ILE  51  -9.662   7.186  -3.568
  439   2HD1  ILE  51          2HD1      ILE  51 -11.130   7.787  -2.806
  440   3HD1  ILE  51          3HD1      ILE  51  -9.834   8.905  -3.217
  441    H    GLY  52           H        GLY  52 -12.970  11.880  -5.319
  442   1HA   GLY  52          1HA       GLY  52 -14.820  13.398  -5.964
  443   2HA   GLY  52          2HA       GLY  52 -15.880  11.987  -5.970
  444    H    ALA  53           H        ALA  53 -13.490  13.189  -3.591
  445    HA   ALA  53           HA       ALA  53 -15.190  12.478  -1.347
  446   1HB   ALA  53          1HB       ALA  53 -12.910  12.452  -0.887
  447   2HB   ALA  53          2HB       ALA  53 -13.340  14.041  -0.254
  448   3HB   ALA  53          3HB       ALA  53 -12.600  13.897  -1.846
  449   1H    MET   1          1H        MET   1 -11.060 -21.283 -14.479
  450   2H    MET   1          2H        MET   1 -10.480 -20.944 -16.038
  451   3H    MET   1          3H        MET   1 -11.030 -19.683 -15.040
  452    HA   MET   1           HA       MET   1  -9.181 -19.797 -13.634
  453   1HB   MET   1          1HB       MET   1  -9.179 -22.562 -14.780
  454   2HB   MET   1          2HB       MET   1  -7.650 -21.919 -14.180
  455   1HG   MET   1          1HG       MET   1  -8.993 -21.264 -12.063
  456   2HG   MET   1          2HG       MET   1 -10.210 -22.386 -12.664
  457   1HE   MET   1          1HE       MET   1  -8.907 -22.923  -9.816
  458   2HE   MET   1          2HE       MET   1  -8.851 -24.673 -10.023
  459   3HE   MET   1          3HE       MET   1 -10.190 -23.754 -10.704
  460    H    LYS   2           H        LYS   2  -9.749 -19.135 -16.630
  461    HA   LYS   2           HA       LYS   2  -7.113 -19.322 -17.898
  462   1HB   LYS   2          1HB       LYS   2  -9.703 -17.882 -18.546
  463   2HB   LYS   2          2HB       LYS   2  -8.315 -17.937 -19.632
  464   1HG   LYS   2          1HG       LYS   2  -8.839 -20.604 -18.759
  465   2HG   LYS   2          2HG       LYS   2 -10.360 -19.901 -19.288
  466   1HD   LYS   2          1HD       LYS   2  -7.868 -19.606 -20.950
  467   2HD   LYS   2          2HD       LYS   2  -8.883 -21.043 -21.080
  468   1HE   LYS   2          1HE       LYS   2 -10.310 -19.911 -22.418
  469   2HE   LYS   2          2HE       LYS   2 -10.570 -18.714 -21.133
  470   1HZ   LYS   2          1HZ       LYS   2  -8.746 -17.461 -21.825
  471   2HZ   LYS   2          2HZ       LYS   2  -9.513 -17.888 -23.280
  472   3HZ   LYS   2          3HZ       LYS   2  -8.117 -18.716 -22.778
  473    H    GLY   3           H        GLY   3  -5.815 -18.162 -16.271
  474   1HA   GLY   3          1HA       GLY   3  -5.501 -15.370 -16.861
  475   2HA   GLY   3          2HA       GLY   3  -6.310 -15.562 -15.305
  476    H    MET   4           H        MET   4  -3.647 -14.472 -15.719
  477    HA   MET   4           HA       MET   4  -1.996 -16.575 -14.352
  478   1HB   MET   4          1HB       MET   4  -1.566 -14.735 -16.594
  479   2HB   MET   4          2HB       MET   4  -0.288 -14.636 -15.384
  480   1HG   MET   4          1HG       MET   4  -0.472 -17.294 -15.500
  481   2HG   MET   4          2HG       MET   4  -1.083 -16.937 -17.115
  482   1HE   MET   4          1HE       MET   4   1.329 -17.996 -15.211
  483   2HE   MET   4          2HE       MET   4   2.488 -16.708 -14.895
  484   3HE   MET   4          3HE       MET   4   2.820 -17.895 -16.155
  485    H    SER   5           H        SER   5  -2.338 -13.010 -14.636
  486    HA   SER   5           HA       SER   5  -0.966 -12.441 -12.166
  487   1HB   SER   5          1HB       SER   5  -1.630 -10.207 -12.653
  488   2HB   SER   5          2HB       SER   5  -1.472 -10.976 -14.230
  489    HG   SER   5           HG       SER   5  -3.458 -10.305 -14.455
  490    H    LYS   6           H        LYS   6  -2.126 -11.327 -10.290
  491    HA   LYS   6           HA       LYS   6  -4.954 -11.920  -9.856
  492   1HB   LYS   6          1HB       LYS   6  -4.568 -13.610  -8.112
  493   2HB   LYS   6          2HB       LYS   6  -3.836 -14.140  -9.625
  494   1HG   LYS   6          1HG       LYS   6  -1.704 -12.904  -8.675
  495   2HG   LYS   6          2HG       LYS   6  -2.507 -13.151  -7.125
  496   1HD   LYS   6          1HD       LYS   6  -2.034 -15.377  -9.124
  497   2HD   LYS   6          2HD       LYS   6  -0.927 -15.013  -7.800
  498   1HE   LYS   6          1HE       LYS   6  -3.053 -15.193  -6.284
  499   2HE   LYS   6          2HE       LYS   6  -3.741 -16.081  -7.657
  500   1HZ   LYS   6          1HZ       LYS   6  -2.347 -17.358  -5.901
  501   2HZ   LYS   6          2HZ       LYS   6  -1.015 -16.704  -6.727
  502   3HZ   LYS   6          3HZ       LYS   6  -2.123 -17.698  -7.547
  503    H    MET   7           H        MET   7  -5.735 -10.688  -8.107
  504    HA   MET   7           HA       MET   7  -4.236  -8.482  -7.147
  505   1HB   MET   7          1HB       MET   7  -6.794  -9.856  -6.610
  506   2HB   MET   7          2HB       MET   7  -6.180  -8.911  -5.252
  507   1HG   MET   7          1HG       MET   7  -6.366  -6.909  -6.379
  508   2HG   MET   7          2HG       MET   7  -6.084  -7.649  -7.955
  509   1HE   MET   7          1HE       MET   7  -8.193  -5.508  -7.896
  510   2HE   MET   7          2HE       MET   7  -8.352  -5.715  -6.154
  511   3HE   MET   7          3HE       MET   7  -9.771  -5.870  -7.185
  512    HA   PRO   8           HA       PRO   8  -1.725 -10.427  -4.063
  513   1HB   PRO   8          1HB       PRO   8  -1.051  -8.209  -2.611
  514   2HB   PRO   8          2HB       PRO   8  -0.345  -8.580  -4.196
  515   1HG   PRO   8          1HG       PRO   8  -2.501  -6.659  -3.488
  516   2HG   PRO   8          2HG       PRO   8  -1.202  -6.510  -4.680
  517   1HD   PRO   8          1HD       PRO   8  -3.784  -7.123  -5.320
  518   2HD   PRO   8          2HD       PRO   8  -2.380  -7.604  -6.298
  519    H    GLN   9           H        GLN   9  -2.046 -11.243  -1.970
  520    HA   GLN   9           HA       GLN   9  -4.629 -11.098  -0.773
  521   1HB   GLN   9          1HB       GLN   9  -1.909 -11.868   0.336
  522   2HB   GLN   9          2HB       GLN   9  -3.447 -12.261   1.103
  523   1HG   GLN   9          1HG       GLN   9  -2.777 -13.062  -1.737
  524   2HG   GLN   9          2HG       GLN   9  -2.464 -14.102  -0.348
  525   1HE2  GLN   9          1HE2      GLN   9  -4.910 -13.018  -2.547
  526   2HE2  GLN   9          2HE2      GLN   9  -6.222 -13.802  -1.809
  527    H    PHE  10           H        PHE  10  -1.924  -8.941  -0.570
  528    HA   PHE  10           HA       PHE  10  -2.389  -7.833   2.042
  529   1HB   PHE  10          1HB       PHE  10  -0.326  -7.625   0.648
  530   2HB   PHE  10          2HB       PHE  10  -1.215  -6.578  -0.458
  531    HD1  PHE  10           HD1      PHE  10  -1.207  -4.256  -0.089
  532    HD2  PHE  10           HD2      PHE  10  -0.428  -6.942   3.197
  533    HE1  PHE  10           HE1      PHE  10  -0.749  -2.305   1.394
  534    HE2  PHE  10           HE2      PHE  10   0.030  -4.991   4.682
  535    HZ   PHE  10           HZ       PHE  10  -0.130  -2.674   3.781
  536    H    LEU  11           H        LEU  11  -3.636  -7.029  -1.192
  537    HA   LEU  11           HA       LEU  11  -5.197  -4.761  -0.106
  538   1HB   LEU  11          1HB       LEU  11  -4.931  -5.975  -2.877
  539   2HB   LEU  11          2HB       LEU  11  -5.733  -4.448  -2.507
  540    HG   LEU  11           HG       LEU  11  -2.833  -5.025  -1.851
  541   1HD1  LEU  11          1HD1      LEU  11  -3.476  -4.940  -4.349
  542   2HD1  LEU  11          2HD1      LEU  11  -2.207  -3.839  -3.806
  543   3HD1  LEU  11          3HD1      LEU  11  -3.844  -3.238  -4.064
  544   1HD2  LEU  11          1HD2      LEU  11  -3.097  -2.333  -1.970
  545   2HD2  LEU  11          2HD2      LEU  11  -3.323  -3.252  -0.481
  546   3HD2  LEU  11          3HD2      LEU  11  -4.722  -2.768  -1.441
  547    H    ASN  12           H        ASN  12  -5.731  -7.763   0.474
  548    HA   ASN  12           HA       ASN  12  -8.258  -8.396  -0.808
  549   1HB   ASN  12          1HB       ASN  12  -6.345  -9.787   0.460
  550   2HB   ASN  12          2HB       ASN  12  -7.433  -9.541   1.826
  551   1HD2  ASN  12          1HD2      ASN  12  -6.924 -12.124   0.503
  552   2HD2  ASN  12          2HD2      ASN  12  -8.407 -12.644  -0.137
  553    H    ARG  13           H        ARG  13  -7.329  -6.442   1.917
  554    HA   ARG  13           HA       ARG  13 -10.040  -6.533   3.095
  555   1HB   ARG  13          1HB       ARG  13  -7.310  -5.671   3.866
  556   2HB   ARG  13          2HB       ARG  13  -8.643  -4.779   4.599
  557   1HG   ARG  13          1HG       ARG  13  -9.383  -6.593   5.792
  558   2HG   ARG  13          2HG       ARG  13  -8.893  -7.743   4.548
  559   1HD   ARG  13          1HD       ARG  13  -6.818  -8.026   5.463
  560   2HD   ARG  13          2HD       ARG  13  -6.658  -6.303   5.859
  561    HE   ARG  13           HE       ARG  13  -8.580  -7.944   7.431
  562   1HH1  ARG  13          1HH1      ARG  13  -7.116  -5.077   7.664
  563   2HH1  ARG  13          2HH1      ARG  13  -6.257  -5.366   9.141
  564   1HH2  ARG  13          1HH2      ARG  13  -6.853  -8.784   9.126
  565   2HH2  ARG  13          2HH2      ARG  13  -6.111  -7.465   9.971
  566    H    TRP  14           H        TRP  14  -8.170  -4.579   0.946
  567    HA   TRP  14           HA       TRP  14  -9.366  -2.014   1.387
  568   1HB   TRP  14          1HB       TRP  14  -8.062  -3.430  -0.940
  569   2HB   TRP  14          2HB       TRP  14  -8.595  -1.760  -1.040
  570    HD1  TRP  14           HD1      TRP  14  -7.055  -3.225   2.159
  571    HE1  TRP  14           HE1      TRP  14  -4.823  -2.011   2.611
  572    HE3  TRP  14           HE3      TRP  14  -6.737  -0.461  -2.089
  573    HZ2  TRP  14           HZ2      TRP  14  -3.104  -0.089   1.307
  574    HZ3  TRP  14           HZ3      TRP  14  -4.796   1.056  -2.492
  575    HH2  TRP  14           HH2      TRP  14  -2.985   1.244  -0.795
  576    HA   PRO  15           HA       PRO  15 -13.390  -2.878  -0.210
  577   1HB   PRO  15          1HB       PRO  15 -14.160  -0.341  -0.915
  578   2HB   PRO  15          2HB       PRO  15 -14.130  -0.923   0.760
  579   1HG   PRO  15          1HG       PRO  15 -12.150   0.759  -0.697
  580   2HG   PRO  15          2HG       PRO  15 -12.710   0.880   0.977
  581   1HD   PRO  15          1HD       PRO  15 -10.320  -0.220   0.297
  582   2HD   PRO  15          2HD       PRO  15 -11.250  -0.727   1.728
  583    H    ARG  16           H        ARG  16 -14.670  -2.506  -2.290
  584    HA   ARG  16           HA       ARG  16 -12.930  -2.947  -4.570
  585   1HB   ARG  16          1HB       ARG  16 -14.770  -4.258  -4.795
  586   2HB   ARG  16          2HB       ARG  16 -15.710  -3.269  -3.698
  587   1HG   ARG  16          1HG       ARG  16 -16.530  -1.926  -5.377
  588   2HG   ARG  16          2HG       ARG  16 -15.160  -2.213  -6.441
  589   1HD   ARG  16          1HD       ARG  16 -16.860  -3.490  -7.467
  590   2HD   ARG  16          2HD       ARG  16 -16.040  -4.697  -6.453
  591    HE   ARG  16           HE       ARG  16 -18.310  -3.183  -5.275
  592   1HH1  ARG  16          1HH1      ARG  16 -18.730  -5.502  -7.382
  593   2HH1  ARG  16          2HH1      ARG  16 -19.130  -6.790  -6.296
  594   1HH2  ARG  16          1HH2      ARG  16 -18.050  -5.101  -3.467
  595   2HH2  ARG  16          2HH2      ARG  16 -18.750  -6.563  -4.082
  596    H    GLU  17           H        GLU  17 -14.740  -0.264  -3.216
  597    HA   GLU  17           HA       GLU  17 -14.880   1.351  -5.596
  598   1HB   GLU  17          1HB       GLU  17 -15.330   1.564  -2.690
  599   2HB   GLU  17          2HB       GLU  17 -14.870   3.084  -3.461
  600   1HG   GLU  17          1HG       GLU  17 -16.650   2.616  -5.205
  601   2HG   GLU  17          2HG       GLU  17 -17.200   1.281  -4.188
  602    H    VAL  18           H        VAL  18 -12.300   0.583  -3.397
  603    HA   VAL  18           HA       VAL  18 -10.680   2.896  -4.361
  604    HB   VAL  18           HB       VAL  18 -10.220   0.844  -2.162
  605   1HG1  VAL  18          1HG1      VAL  18  -8.812   3.488  -2.502
  606   2HG1  VAL  18          2HG1      VAL  18  -8.222   2.038  -3.315
  607   3HG1  VAL  18          3HG1      VAL  18  -8.315   2.086  -1.555
  608   1HG2  VAL  18          1HG2      VAL  18 -12.150   2.425  -1.811
  609   2HG2  VAL  18          2HG2      VAL  18 -11.020   3.770  -1.979
  610   3HG2  VAL  18          3HG2      VAL  18 -10.850   2.636  -0.638
  611    H    LEU  19           H        LEU  19 -10.760  -0.644  -4.244
  612    HA   LEU  19           HA       LEU  19  -8.184  -1.111  -5.406
  613   1HB   LEU  19          1HB       LEU  19 -10.750  -2.600  -5.016
  614   2HB   LEU  19          2HB       LEU  19  -9.503  -3.319  -6.028
  615    HG   LEU  19           HG       LEU  19  -9.004  -2.299  -3.220
  616   1HD1  LEU  19          1HD1      LEU  19 -10.170  -4.813  -4.206
  617   2HD1  LEU  19          2HD1      LEU  19 -10.170  -4.137  -2.578
  618   3HD1  LEU  19          3HD1      LEU  19  -8.775  -5.047  -3.154
  619   1HD2  LEU  19          1HD2      LEU  19  -7.352  -3.276  -5.406
  620   2HD2  LEU  19          2HD2      LEU  19  -7.170  -4.288  -3.972
  621   3HD2  LEU  19          3HD2      LEU  19  -6.858  -2.555  -3.874
  622    H    ASP  20           H        ASP  20 -11.370  -0.524  -6.804
  623    HA   ASP  20           HA       ASP  20 -10.720  -1.266  -9.511
  624   1HB   ASP  20          1HB       ASP  20 -12.980  -0.812  -8.303
  625   2HB   ASP  20          2HB       ASP  20 -12.680   0.883  -8.684
  626    H    LEU  21           H        LEU  21 -10.240   1.663  -7.621
  627    HA   LEU  21           HA       LEU  21  -9.518   3.324  -9.922
  628   1HB   LEU  21          1HB       LEU  21 -10.580   4.211  -7.892
  629   2HB   LEU  21          2HB       LEU  21  -9.236   3.633  -6.913
  630    HG   LEU  21           HG       LEU  21  -7.730   5.092  -8.377
  631   1HD1  LEU  21          1HD1      LEU  21  -9.107   5.552 -10.260
  632   2HD1  LEU  21          2HD1      LEU  21  -9.048   7.067  -9.360
  633   3HD1  LEU  21          3HD1      LEU  21 -10.460   6.028  -9.245
  634   1HD2  LEU  21          1HD2      LEU  21  -8.339   5.724  -6.093
  635   2HD2  LEU  21          2HD2      LEU  21  -9.873   6.381  -6.657
  636   3HD2  LEU  21          3HD2      LEU  21  -8.359   7.155  -7.123
  637    H    VAL  22           H        VAL  22  -7.816   1.532  -7.362
  638    HA   VAL  22           HA       VAL  22  -5.169   2.441  -7.845
  639    HB   VAL  22           HB       VAL  22  -6.191  -0.293  -7.000
  640   1HG1  VAL  22          1HG1      VAL  22  -3.633   1.047  -6.130
  641   2HG1  VAL  22          2HG1      VAL  22  -3.696   0.071  -7.596
  642   3HG1  VAL  22          3HG1      VAL  22  -4.070  -0.662  -6.036
  643   1HG2  VAL  22          1HG2      VAL  22  -6.520   2.264  -5.788
  644   2HG2  VAL  22          2HG2      VAL  22  -5.337   1.377  -4.828
  645   3HG2  VAL  22          3HG2      VAL  22  -6.935   0.687  -5.115
  646    H    ARG  23           H        ARG  23  -6.827  -0.464  -9.123
  647    HA   ARG  23           HA       ARG  23  -4.759  -1.402 -10.809
  648   1HB   ARG  23          1HB       ARG  23  -6.935  -2.497 -10.107
  649   2HB   ARG  23          2HB       ARG  23  -7.746  -1.501 -11.317
  650   1HG   ARG  23          1HG       ARG  23  -7.080  -2.855 -12.990
  651   2HG   ARG  23          2HG       ARG  23  -5.406  -2.812 -12.435
  652   1HD   ARG  23          1HD       ARG  23  -5.856  -5.063 -12.072
  653   2HD   ARG  23          2HD       ARG  23  -6.436  -4.416 -10.523
  654    HE   ARG  23           HE       ARG  23  -8.717  -4.244 -11.670
  655   1HH1  ARG  23          1HH1      ARG  23  -7.468  -7.091 -11.120
  656   2HH1  ARG  23          2HH1      ARG  23  -8.032  -7.921 -12.533
  657   1HH2  ARG  23          1HH2      ARG  23  -8.943  -5.010 -14.192
  658   2HH2  ARG  23          2HH2      ARG  23  -8.869  -6.738 -14.275
  659    H    LYS  24           H        LYS  24  -7.374   0.929 -11.509
  660    HA   LYS  24           HA       LYS  24  -6.652   1.271 -14.297
  661   1HB   LYS  24          1HB       LYS  24  -8.339   2.774 -12.286
  662   2HB   LYS  24          2HB       LYS  24  -8.194   3.296 -13.964
  663   1HG   LYS  24          1HG       LYS  24  -8.841   0.426 -13.468
  664   2HG   LYS  24          2HG       LYS  24 -10.110   1.609 -13.187
  665   1HD   LYS  24          1HD       LYS  24 -10.440   1.882 -15.399
  666   2HD   LYS  24          2HD       LYS  24  -8.726   2.194 -15.658
  667   1HE   LYS  24          1HE       LYS  24  -8.239  -0.076 -16.046
  668   2HE   LYS  24          2HE       LYS  24  -9.709  -0.626 -15.217
  669   1HZ   LYS  24          1HZ       LYS  24  -9.923  -0.683 -17.661
  670   2HZ   LYS  24          2HZ       LYS  24  -9.683   0.999 -17.704
  671   3HZ   LYS  24          3HZ       LYS  24 -11.050   0.354 -16.932
  672    H    VAL  25           H        VAL  25  -5.406   2.576 -11.332
  673    HA   VAL  25           HA       VAL  25  -4.303   5.010 -12.561
  674    HB   VAL  25           HB       VAL  25  -4.061   3.639  -9.869
  675   1HG1  VAL  25          1HG1      VAL  25  -3.102   5.929  -9.182
  676   2HG1  VAL  25          2HG1      VAL  25  -2.797   6.182 -10.901
  677   3HG1  VAL  25          3HG1      VAL  25  -2.021   4.842 -10.055
  678   1HG2  VAL  25          1HG2      VAL  25  -5.221   6.347 -10.185
  679   2HG2  VAL  25          2HG2      VAL  25  -5.780   4.989  -9.206
  680   3HG2  VAL  25          3HG2      VAL  25  -6.141   5.040 -10.932
  681    H    ALA  26           H        ALA  26  -3.110   1.795 -11.600
  682    HA   ALA  26           HA       ALA  26  -0.316   2.342 -11.999
  683   1HB   ALA  26          1HB       ALA  26  -0.396  -0.259 -12.319
  684   2HB   ALA  26          2HB       ALA  26  -2.104  -0.081 -11.918
  685   3HB   ALA  26          3HB       ALA  26  -0.868   0.420 -10.761
  686    H    GLU  27           H        GLU  27  -2.914   1.250 -14.153
  687    HA   GLU  27           HA       GLU  27  -1.198   0.689 -16.425
  688   1HB   GLU  27          1HB       GLU  27  -3.718   0.078 -15.718
  689   2HB   GLU  27          2HB       GLU  27  -4.062   1.481 -16.730
  690   1HG   GLU  27          1HG       GLU  27  -3.073   0.488 -18.638
  691   2HG   GLU  27          2HG       GLU  27  -2.241  -0.733 -17.674
  692    H    GLU  28           H        GLU  28  -2.650   3.568 -15.082
  693    HA   GLU  28           HA       GLU  28  -2.471   5.167 -17.527
  694   1HB   GLU  28          1HB       GLU  28  -3.183   5.488 -14.652
  695   2HB   GLU  28          2HB       GLU  28  -2.674   6.948 -15.503
  696   1HG   GLU  28          1HG       GLU  28  -4.329   6.219 -17.345
  697   2HG   GLU  28          2HG       GLU  28  -4.994   5.128 -16.130
  698    H    ASN  29           H        ASN  29  -0.549   4.820 -14.550
  699    HA   ASN  29           HA       ASN  29   1.414   6.824 -15.205
  700   1HB   ASN  29          1HB       ASN  29   1.453   4.362 -13.430
  701   2HB   ASN  29          2HB       ASN  29   2.677   5.631 -13.392
  702   1HD2  ASN  29          1HD2      ASN  29   2.012   6.149 -11.137
  703   2HD2  ASN  29          2HD2      ASN  29   0.589   7.031 -10.853
  704    H    GLY  30           H        GLY  30   1.359   3.267 -15.621
  705   1HA   GLY  30          1HA       GLY  30   2.318   2.424 -17.782
  706   2HA   GLY  30          2HA       GLY  30   3.617   3.594 -17.557
  707    H    ARG  31           H        ARG  31   2.231   1.528 -15.018
  708    HA   ARG  31           HA       ARG  31   4.534  -0.304 -15.111
  709   1HB   ARG  31          1HB       ARG  31   5.406   0.406 -12.933
  710   2HB   ARG  31          2HB       ARG  31   5.374   1.782 -14.035
  711   1HG   ARG  31          1HG       ARG  31   3.191   2.477 -13.053
  712   2HG   ARG  31          2HG       ARG  31   3.314   1.146 -11.902
  713   1HD   ARG  31          1HD       ARG  31   4.511   2.522 -10.555
  714   2HD   ARG  31          2HD       ARG  31   5.794   2.517 -11.783
  715    HE   ARG  31           HE       ARG  31   3.479   4.402 -11.991
  716   1HH1  ARG  31          1HH1      ARG  31   5.701   4.224 -14.067
  717   2HH1  ARG  31          2HH1      ARG  31   6.699   5.561 -13.606
  718   1HH2  ARG  31          1HH2      ARG  31   5.252   5.906 -10.474
  719   2HH2  ARG  31          2HH2      ARG  31   6.445   6.514 -11.572
  720    H    SER  32           H        SER  32   4.374  -1.342 -12.548
  721    HA   SER  32           HA       SER  32   1.801  -2.752 -12.634
  722   1HB   SER  32          1HB       SER  32   4.097  -2.944 -10.668
  723   2HB   SER  32          2HB       SER  32   2.878  -4.173 -10.998
  724    HG   SER  32           HG       SER  32   3.701  -4.123 -13.209
  725    H    VAL  33           H        VAL  33   0.744  -3.128 -10.374
  726    HA   VAL  33           HA       VAL  33   0.022  -0.507  -9.289
  727    HB   VAL  33           HB       VAL  33  -0.822  -3.366  -8.735
  728   1HG1  VAL  33          1HG1      VAL  33  -2.856  -2.205  -7.764
  729   2HG1  VAL  33          2HG1      VAL  33  -1.926  -0.707  -7.816
  730   3HG1  VAL  33          3HG1      VAL  33  -1.379  -2.050  -6.814
  731   1HG2  VAL  33          1HG2      VAL  33  -1.172  -2.160 -11.041
  732   2HG2  VAL  33          2HG2      VAL  33  -2.420  -1.264 -10.173
  733   3HG2  VAL  33          3HG2      VAL  33  -2.526  -3.020 -10.304
  734    H    ASN  34           H        ASN  34   1.993  -3.269  -8.363
  735    HA   ASN  34           HA       ASN  34   2.142  -2.842  -5.538
  736   1HB   ASN  34          1HB       ASN  34   3.066  -4.700  -7.170
  737   2HB   ASN  34          2HB       ASN  34   4.497  -3.671  -7.228
  738   1HD2  ASN  34          1HD2      ASN  34   5.869  -3.621  -5.375
  739   2HD2  ASN  34          2HD2      ASN  34   5.581  -4.548  -3.982
  740    H    SER  35           H        SER  35   3.578  -1.165  -8.257
  741    HA   SER  35           HA       SER  35   5.423   0.380  -6.538
  742   1HB   SER  35          1HB       SER  35   5.825  -0.521  -8.932
  743   2HB   SER  35          2HB       SER  35   4.779   0.794  -9.465
  744    HG   SER  35           HG       SER  35   6.957   1.436  -9.457
  745    H    GLU  36           H        GLU  36   2.308   0.726  -8.181
  746    HA   GLU  36           HA       GLU  36   2.046   3.560  -8.073
  747   1HB   GLU  36          1HB       GLU  36   0.621   1.935  -9.315
  748   2HB   GLU  36          2HB       GLU  36  -0.022   1.355  -7.778
  749   1HG   GLU  36          1HG       GLU  36  -0.633   3.820  -7.331
  750   2HG   GLU  36          2HG       GLU  36  -0.380   4.050  -9.060
  751    H    ILE  37           H        ILE  37   0.722   1.102  -5.826
  752    HA   ILE  37           HA       ILE  37  -0.161   2.890  -3.808
  753    HB   ILE  37           HB       ILE  37   0.885   0.039  -3.691
  754   1HG1  ILE  37          1HG1      ILE  37  -1.017   0.448  -5.253
  755   2HG1  ILE  37          2HG1      ILE  37  -1.477  -0.576  -3.894
  756   1HG2  ILE  37          1HG2      ILE  37   0.210   1.773  -1.561
  757   2HG2  ILE  37          2HG2      ILE  37   0.451   0.028  -1.481
  758   3HG2  ILE  37          3HG2      ILE  37  -1.166   0.682  -1.757
  759   1HD1  ILE  37          1HD1      ILE  37  -1.872   2.126  -3.087
  760   2HD1  ILE  37          2HD1      ILE  37  -3.094   0.886  -3.358
  761   3HD1  ILE  37          3HD1      ILE  37  -2.604   1.940  -4.683
  762    H    TYR  38           H        TYR  38   3.048   1.651  -4.563
  763    HA   TYR  38           HA       TYR  38   4.296   2.294  -2.043
  764   1HB   TYR  38          1HB       TYR  38   5.224   0.695  -3.619
  765   2HB   TYR  38          2HB       TYR  38   5.293   1.922  -4.885
  766    HD1  TYR  38           HD1      TYR  38   7.422   2.724  -5.324
  767    HD2  TYR  38           HD2      TYR  38   6.357   1.674  -1.283
  768    HE1  TYR  38           HE1      TYR  38   9.694   3.409  -4.552
  769    HE2  TYR  38           HE2      TYR  38   8.627   2.358  -0.502
  770    HH   TYR  38           HH       TYR  38  11.161   3.294  -2.801
  771    H    GLN  39           H        GLN  39   3.727   4.093  -5.052
  772    HA   GLN  39           HA       GLN  39   5.398   6.364  -4.331
  773   1HB   GLN  39          1HB       GLN  39   4.415   5.412  -6.618
  774   2HB   GLN  39          2HB       GLN  39   3.089   6.512  -6.238
  775   1HG   GLN  39          1HG       GLN  39   4.771   7.649  -7.623
  776   2HG   GLN  39          2HG       GLN  39   4.706   8.374  -6.017
  777   1HE2  GLN  39          1HE2      GLN  39   6.312   5.318  -7.034
  778   2HE2  GLN  39          2HE2      GLN  39   7.868   5.801  -6.558
  779    H    ARG  40           H        ARG  40   1.837   5.923  -4.501
  780    HA   ARG  40           HA       ARG  40   1.106   8.422  -3.373
  781   1HB   ARG  40          1HB       ARG  40  -0.120   5.659  -3.455
  782   2HB   ARG  40          2HB       ARG  40  -0.974   7.016  -2.722
  783   1HG   ARG  40          1HG       ARG  40  -1.594   7.768  -4.749
  784   2HG   ARG  40          2HG       ARG  40   0.091   7.837  -5.266
  785   1HD   ARG  40          1HD       ARG  40   0.037   5.503  -5.952
  786   2HD   ARG  40          2HD       ARG  40  -1.597   5.309  -5.289
  787    HE   ARG  40           HE       ARG  40  -2.429   6.415  -7.206
  788   1HH1  ARG  40          1HH1      ARG  40   0.814   5.957  -7.698
  789   2HH1  ARG  40          2HH1      ARG  40   1.052   7.323  -8.735
  790   1HH2  ARG  40          1HH2      ARG  40  -2.090   8.661  -8.136
  791   2HH2  ARG  40          2HH2      ARG  40  -0.592   8.852  -8.985
  792    H    VAL  41           H        VAL  41   2.407   5.546  -1.901
  793    HA   VAL  41           HA       VAL  41   1.646   6.329   0.845
  794    HB   VAL  41           HB       VAL  41   3.141   4.067  -0.502
  795   1HG1  VAL  41          1HG1      VAL  41   2.557   4.241   2.465
  796   2HG1  VAL  41          2HG1      VAL  41   4.139   4.604   1.773
  797   3HG1  VAL  41          3HG1      VAL  41   3.457   2.984   1.615
  798   1HG2  VAL  41          1HG2      VAL  41   0.575   4.354  -0.475
  799   2HG2  VAL  41          2HG2      VAL  41   0.682   3.937   1.235
  800   3HG2  VAL  41          3HG2      VAL  41   1.226   2.789   0.011
  801    H    MET  42           H        MET  42   4.381   6.477  -1.335
  802    HA   MET  42           HA       MET  42   6.415   7.051   0.649
  803   1HB   MET  42          1HB       MET  42   6.128   6.614  -2.167
  804   2HB   MET  42          2HB       MET  42   7.031   8.109  -1.934
  805   1HG   MET  42          1HG       MET  42   7.779   5.801  -0.210
  806   2HG   MET  42          2HG       MET  42   8.222   5.702  -1.914
  807   1HE   MET  42          1HE       MET  42  10.950   5.707  -0.914
  808   2HE   MET  42          2HE       MET  42  11.494   7.111  -1.833
  809   3HE   MET  42          3HE       MET  42  10.251   6.054  -2.501
  810    H    GLU  43           H        GLU  43   4.062   8.987  -1.105
  811    HA   GLU  43           HA       GLU  43   5.404  11.535  -0.508
  812   1HB   GLU  43          1HB       GLU  43   3.036  10.519  -1.989
  813   2HB   GLU  43          2HB       GLU  43   2.920  12.173  -1.386
  814   1HG   GLU  43          1HG       GLU  43   5.400  12.290  -2.401
  815   2HG   GLU  43          2HG       GLU  43   4.743  11.032  -3.449
  816    H    SER  44           H        SER  44   3.023   9.475   0.994
  817    HA   SER  44           HA       SER  44   1.646  11.446   2.569
  818   1HB   SER  44          1HB       SER  44   0.980   9.447   3.869
  819   2HB   SER  44          2HB       SER  44   0.883   9.132   2.139
  820    HG   SER  44           HG       SER  44   2.852   8.322   4.000
  821    H    PHE  45           H        PHE  45   4.443   9.335   3.325
  822    HA   PHE  45           HA       PHE  45   4.880  10.249   5.986
  823   1HB   PHE  45          1HB       PHE  45   6.660   9.126   3.808
  824   2HB   PHE  45          2HB       PHE  45   7.216   9.367   5.463
  825    HD1  PHE  45           HD1      PHE  45   6.240   6.850   3.413
  826    HD2  PHE  45           HD2      PHE  45   5.047   8.609   7.170
  827    HE1  PHE  45           HE1      PHE  45   5.194   4.692   4.091
  828    HE2  PHE  45           HE2      PHE  45   4.002   6.451   7.849
  829    HZ   PHE  45           HZ       PHE  45   4.078   4.491   6.312
  830    H    LYS  46           H        LYS  46   6.037  11.501   2.857
  831    HA   LYS  46           HA       LYS  46   7.886  13.432   3.909
  832   1HB   LYS  46          1HB       LYS  46   6.277  13.194   1.351
  833   2HB   LYS  46          2HB       LYS  46   7.496  14.444   1.598
  834   1HG   LYS  46          1HG       LYS  46   9.089  12.509   2.212
  835   2HG   LYS  46          2HG       LYS  46   7.881  11.454   1.477
  836   1HD   LYS  46          1HD       LYS  46   7.999  12.945  -0.579
  837   2HD   LYS  46          2HD       LYS  46   9.406  13.709   0.157
  838   1HE   LYS  46          1HE       LYS  46  10.686  11.711   0.060
  839   2HE   LYS  46          2HE       LYS  46   9.248  10.707  -0.203
  840   1HZ   LYS  46          1HZ       LYS  46  10.269  11.054  -2.314
  841   2HZ   LYS  46          2HZ       LYS  46  10.388  12.729  -2.055
  842   3HZ   LYS  46          3HZ       LYS  46   8.867  12.007  -2.272
  843    H    LYS  47           H        LYS  47   4.399  13.438   3.505
  844    HA   LYS  47           HA       LYS  47   3.765  16.168   3.472
  845   1HB   LYS  47          1HB       LYS  47   2.226  14.192   3.342
  846   2HB   LYS  47          2HB       LYS  47   2.424  13.970   5.081
  847   1HG   LYS  47          1HG       LYS  47   1.307  15.975   5.592
  848   2HG   LYS  47          2HG       LYS  47   1.549  16.630   3.971
  849   1HD   LYS  47          1HD       LYS  47  -0.013  14.992   3.042
  850   2HD   LYS  47          2HD       LYS  47  -0.213  14.252   4.630
  851   1HE   LYS  47          1HE       LYS  47  -0.777  17.192   4.246
  852   2HE   LYS  47          2HE       LYS  47  -2.012  15.974   3.872
  853   1HZ   LYS  47          1HZ       LYS  47  -2.086  16.696   6.214
  854   2HZ   LYS  47          2HZ       LYS  47  -0.499  16.124   6.428
  855   3HZ   LYS  47          3HZ       LYS  47  -1.755  15.039   6.060
  856    H    GLU  48           H        GLU  48   4.548  14.133   6.302
  857    HA   GLU  48           HA       GLU  48   4.442  16.516   8.074
  858   1HB   GLU  48          1HB       GLU  48   3.508  14.071   8.439
  859   2HB   GLU  48          2HB       GLU  48   5.172  13.725   8.913
  860   1HG   GLU  48          1HG       GLU  48   4.797  15.993  10.314
  861   2HG   GLU  48          2HG       GLU  48   3.131  15.416  10.263
  862    H    GLY  49           H        GLY  49   6.731  14.425   6.470
  863   1HA   GLY  49          1HA       GLY  49   9.048  15.011   6.162
  864   2HA   GLY  49          2HA       GLY  49   8.943  16.063   7.574
  865    H    ARG  50           H        ARG  50   8.027  12.638   7.199
  866    HA   ARG  50           HA       ARG  50   9.468  12.000   9.696
  867   1HB   ARG  50          1HB       ARG  50   7.440  10.780   7.884
  868   2HB   ARG  50          2HB       ARG  50   8.430   9.666   8.828
  869   1HG   ARG  50          1HG       ARG  50   7.748  10.675  10.895
  870   2HG   ARG  50          2HG       ARG  50   6.985  12.025  10.055
  871   1HD   ARG  50          1HD       ARG  50   5.065  10.798  10.257
  872   2HD   ARG  50          2HD       ARG  50   5.727   9.823   8.930
  873    HE   ARG  50           HE       ARG  50   6.379   8.165  10.512
  874   1HH1  ARG  50          1HH1      ARG  50   4.013   9.913  11.887
  875   2HH1  ARG  50          2HH1      ARG  50   4.546   9.770  13.529
  876   1HH2  ARG  50          1HH2      ARG  50   7.655   8.484  12.686
  877   2HH2  ARG  50          2HH2      ARG  50   6.608   8.961  13.981
  878    H    ILE  51           H        ILE  51   9.735  11.366   6.218
  879    HA   ILE  51           HA       ILE  51  11.925   9.441   6.538
  880    HB   ILE  51           HB       ILE  51  10.748  10.927   4.166
  881   1HG1  ILE  51          1HG1      ILE  51  10.370   8.065   5.105
  882   2HG1  ILE  51          2HG1      ILE  51   9.221   9.370   5.411
  883   1HG2  ILE  51          1HG2      ILE  51  13.152   9.390   4.386
  884   2HG2  ILE  51          2HG2      ILE  51  12.424  10.071   2.932
  885   3HG2  ILE  51          3HG2      ILE  51  11.984   8.448   3.461
  886   1HD1  ILE  51          1HD1      ILE  51   8.743   7.898   3.371
  887   2HD1  ILE  51          2HD1      ILE  51  10.145   8.660   2.621
  888   3HD1  ILE  51          3HD1      ILE  51   8.754   9.638   3.089
  889    H    GLY  52           H        GLY  52  11.640  12.794   5.291
  890   1HA   GLY  52          1HA       GLY  52  13.362  14.441   5.985
  891   2HA   GLY  52          2HA       GLY  52  14.544  13.132   5.918
  892    H    ALA  53           H        ALA  53  12.023  14.217   3.616
  893    HA   ALA  53           HA       ALA  53  13.747  13.756   1.330
  894   1HB   ALA  53          1HB       ALA  53  11.469  13.544   0.890
  895   2HB   ALA  53          2HB       ALA  53  11.749  15.191   0.323
  896   3HB   ALA  53          3HB       ALA  53  11.042  14.914   1.914
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1   7.463 -24.225  15.654
    2   2H    MET   1          2H        MET   1   6.573 -24.091  17.095
    3   3H    MET   1          3H        MET   1   8.249 -24.364  17.151
    4    HA   MET   1           HA       MET   1   8.079 -22.097  17.615
    5   1HB   MET   1          1HB       MET   1   9.147 -23.130  15.216
    6   2HB   MET   1          2HB       MET   1   8.385 -21.602  14.776
    7   1HG   MET   1          1HG       MET   1   9.617 -20.472  16.601
    8   2HG   MET   1          2HG       MET   1  10.397 -21.999  17.011
    9   1HE   MET   1          1HE       MET   1  13.562 -21.321  15.456
   10   2HE   MET   1          2HE       MET   1  12.557 -21.958  16.754
   11   3HE   MET   1          3HE       MET   1  12.746 -20.217  16.570
   12    H    LYS   2           H        LYS   2   7.161 -19.938  16.940
   13    HA   LYS   2           HA       LYS   2   4.430 -20.239  15.726
   14   1HB   LYS   2          1HB       LYS   2   5.150 -19.618  18.345
   15   2HB   LYS   2          2HB       LYS   2   4.801 -18.045  17.627
   16   1HG   LYS   2          1HG       LYS   2   2.590 -18.669  17.056
   17   2HG   LYS   2          2HG       LYS   2   2.932 -20.386  17.264
   18   1HD   LYS   2          1HD       LYS   2   2.864 -20.258  19.588
   19   2HD   LYS   2          2HD       LYS   2   3.254 -18.538  19.605
   20   1HE   LYS   2          1HE       LYS   2   0.823 -18.751  18.175
   21   2HE   LYS   2          2HE       LYS   2   0.647 -19.781  19.611
   22   1HZ   LYS   2          1HZ       LYS   2   1.225 -18.038  21.026
   23   2HZ   LYS   2          2HZ       LYS   2   0.194 -17.300  19.896
   24   3HZ   LYS   2          3HZ       LYS   2   1.876 -17.096  19.775
   25    H    GLY   3           H        GLY   3   4.245 -19.027  13.890
   26   1HA   GLY   3          1HA       GLY   3   6.154 -16.780  13.475
   27   2HA   GLY   3          2HA       GLY   3   5.241 -17.589  12.199
   28    H    MET   4           H        MET   4   2.775 -17.507  13.937
   29    HA   MET   4           HA       MET   4   0.896 -16.099  14.145
   30   1HB   MET   4          1HB       MET   4   3.298 -14.471  14.914
   31   2HB   MET   4          2HB       MET   4   1.724 -13.681  14.840
   32   1HG   MET   4          1HG       MET   4   0.831 -15.529  16.319
   33   2HG   MET   4          2HG       MET   4   2.495 -16.075  16.526
   34   1HE   MET   4          1HE       MET   4   4.041 -14.509  18.935
   35   2HE   MET   4          2HE       MET   4   4.443 -13.409  17.618
   36   3HE   MET   4          3HE       MET   4   4.192 -15.121  17.282
   37    H    SER   5           H        SER   5   2.858 -13.390  13.009
   38    HA   SER   5           HA       SER   5   1.589 -13.607  10.312
   39   1HB   SER   5          1HB       SER   5   1.188 -11.058  10.653
   40   2HB   SER   5          2HB       SER   5   0.109 -12.180  11.476
   41    HG   SER   5           HG       SER   5   0.951 -10.526  12.856
   42    H    LYS   6           H        LYS   6   2.932 -12.874   8.660
   43    HA   LYS   6           HA       LYS   6   5.520 -11.592   9.481
   44   1HB   LYS   6          1HB       LYS   6   4.844 -14.004   7.910
   45   2HB   LYS   6          2HB       LYS   6   6.071 -12.970   7.176
   46   1HG   LYS   6          1HG       LYS   6   6.272 -13.642  10.095
   47   2HG   LYS   6          2HG       LYS   6   6.795 -14.825   8.897
   48   1HD   LYS   6          1HD       LYS   6   7.943 -12.526   7.936
   49   2HD   LYS   6          2HD       LYS   6   8.039 -12.270   9.678
   50   1HE   LYS   6          1HE       LYS   6   8.897 -14.780   9.686
   51   2HE   LYS   6          2HE       LYS   6   9.334 -14.398   8.007
   52   1HZ   LYS   6          1HZ       LYS   6  11.018 -13.795   9.804
   53   2HZ   LYS   6          2HZ       LYS   6   9.948 -12.548  10.233
   54   3HZ   LYS   6          3HZ       LYS   6  10.627 -12.591   8.676
   55    H    MET   7           H        MET   7   6.570 -10.549   7.423
   56    HA   MET   7           HA       MET   7   4.937  -8.462   6.443
   57   1HB   MET   7          1HB       MET   7   7.525  -9.765   5.650
   58   2HB   MET   7          2HB       MET   7   6.843  -8.515   4.607
   59   1HG   MET   7          1HG       MET   7   6.980  -6.867   6.284
   60   2HG   MET   7          2HG       MET   7   7.116  -8.062   7.574
   61   1HE   MET   7          1HE       MET   7   9.119  -7.911   4.052
   62   2HE   MET   7          2HE       MET   7  10.268  -6.683   4.575
   63   3HE   MET   7          3HE       MET   7   8.539  -6.338   4.618
   64    HA   PRO   8           HA       PRO   8   2.602 -10.571   3.326
   65   1HB   PRO   8          1HB       PRO   8   1.712  -8.399   1.928
   66   2HB   PRO   8          2HB       PRO   8   1.061  -8.859   3.513
   67   1HG   PRO   8          1HG       PRO   8   2.990  -6.716   2.809
   68   2HG   PRO   8          2HG       PRO   8   1.731  -6.742   4.051
   69   1HD   PRO   8          1HD       PRO   8   4.415  -7.115   4.535
   70   2HD   PRO   8          2HD       PRO   8   3.106  -7.674   5.600
   71    H    GLN   9           H        GLN   9   2.652 -10.920   0.958
   72    HA   GLN   9           HA       GLN   9   5.324 -10.678  -0.164
   73   1HB   GLN   9          1HB       GLN   9   2.775 -12.003  -0.675
   74   2HB   GLN   9          2HB       GLN   9   3.515 -11.423  -2.167
   75   1HG   GLN   9          1HG       GLN   9   4.563 -13.478  -1.983
   76   2HG   GLN   9          2HG       GLN   9   5.703 -12.476  -1.083
   77   1HE2  GLN   9          1HE2      GLN   9   5.629 -12.597   1.300
   78   2HE2  GLN   9          2HE2      GLN   9   4.884 -13.909   2.077
   79    H    PHE  10           H        PHE  10   2.471  -8.705  -0.218
   80    HA   PHE  10           HA       PHE  10   2.906  -7.385  -2.754
   81   1HB   PHE  10          1HB       PHE  10   0.782  -7.527  -1.400
   82   2HB   PHE  10          2HB       PHE  10   1.503  -6.399  -0.250
   83    HD1  PHE  10           HD1      PHE  10   1.762  -4.046  -0.768
   84    HD2  PHE  10           HD2      PHE  10   0.288  -6.812  -3.737
   85    HE1  PHE  10           HE1      PHE  10   1.075  -2.132  -2.209
   86    HE2  PHE  10           HE2      PHE  10  -0.397  -4.897  -5.179
   87    HZ   PHE  10           HZ       PHE  10  -0.003  -2.558  -4.414
   88    H    LEU  11           H        LEU  11   3.960  -6.749   0.582
   89    HA   LEU  11           HA       LEU  11   5.262  -4.214  -0.207
   90   1HB   LEU  11          1HB       LEU  11   5.115  -5.783   2.388
   91   2HB   LEU  11          2HB       LEU  11   5.786  -4.161   2.228
   92    HG   LEU  11           HG       LEU  11   2.934  -4.946   1.556
   93   1HD1  LEU  11          1HD1      LEU  11   4.065  -3.336   3.865
   94   2HD1  LEU  11          2HD1      LEU  11   3.396  -4.963   3.983
   95   3HD1  LEU  11          3HD1      LEU  11   2.352  -3.610   3.545
   96   1HD2  LEU  11          1HD2      LEU  11   4.531  -2.402   1.341
   97   2HD2  LEU  11          2HD2      LEU  11   2.793  -2.326   1.629
   98   3HD2  LEU  11          3HD2      LEU  11   3.412  -3.111   0.176
   99    H    ASN  12           H        ASN  12   6.133  -7.155  -1.008
  100    HA   ASN  12           HA       ASN  12   8.745  -7.527   0.186
  101   1HB   ASN  12          1HB       ASN  12   6.991  -9.014  -1.272
  102   2HB   ASN  12          2HB       ASN  12   8.155  -8.582  -2.526
  103   1HD2  ASN  12          1HD2      ASN  12   8.059  -9.911   0.826
  104   2HD2  ASN  12          2HD2      ASN  12   9.426 -10.901   0.630
  105    H    ARG  13           H        ARG  13   7.530  -5.793  -2.645
  106    HA   ARG  13           HA       ARG  13  10.187  -5.305  -3.769
  107   1HB   ARG  13          1HB       ARG  13   7.542  -5.243  -4.618
  108   2HB   ARG  13          2HB       ARG  13   7.991  -3.536  -4.568
  109   1HG   ARG  13          1HG       ARG  13  10.200  -4.476  -5.749
  110   2HG   ARG  13          2HG       ARG  13   9.077  -5.733  -6.273
  111   1HD   ARG  13          1HD       ARG  13   7.566  -3.530  -6.776
  112   2HD   ARG  13          2HD       ARG  13   9.191  -2.869  -7.049
  113    HE   ARG  13           HE       ARG  13   7.969  -5.113  -8.553
  114   1HH1  ARG  13          1HH1      ARG  13   9.860  -2.419  -8.842
  115   2HH1  ARG  13          2HH1      ARG  13  11.098  -3.144  -9.812
  116   1HH2  ARG  13          1HH2      ARG  13   9.926  -6.377  -9.364
  117   2HH2  ARG  13          2HH2      ARG  13  11.135  -5.383 -10.107
  118    H    TRP  14           H        TRP  14   8.352  -3.930  -1.231
  119    HA   TRP  14           HA       TRP  14   9.297  -1.186  -1.448
  120   1HB   TRP  14          1HB       TRP  14   7.953  -2.902   0.643
  121   2HB   TRP  14          2HB       TRP  14   8.347  -1.212   0.921
  122    HD1  TRP  14           HD1      TRP  14   7.172  -2.413  -2.525
  123    HE1  TRP  14           HE1      TRP  14   4.872  -1.365  -3.016
  124    HE3  TRP  14           HE3      TRP  14   6.251  -0.266   1.988
  125    HZ2  TRP  14           HZ2      TRP  14   2.871   0.205  -1.650
  126    HZ3  TRP  14           HZ3      TRP  14   4.135   1.001   2.398
  127    HH2  TRP  14           HH2      TRP  14   2.451   1.237   0.581
  128    HA   PRO  15           HA       PRO  15  13.273  -2.002   0.332
  129   1HB   PRO  15          1HB       PRO  15  13.867   0.512   1.241
  130   2HB   PRO  15          2HB       PRO  15  13.966   0.045  -0.468
  131   1HG   PRO  15          1HG       PRO  15  11.817   1.526   0.968
  132   2HG   PRO  15          2HG       PRO  15  12.485   1.799  -0.649
  133   1HD   PRO  15          1HD       PRO  15  10.115   0.543  -0.225
  134   2HD   PRO  15          2HD       PRO  15  11.168   0.177  -1.610
  135    H    ARG  16           H        ARG  16  14.403  -1.578   2.538
  136    HA   ARG  16           HA       ARG  16  12.556  -2.329   4.650
  137   1HB   ARG  16          1HB       ARG  16  14.502  -3.466   4.953
  138   2HB   ARG  16          2HB       ARG  16  15.413  -2.330   3.978
  139   1HG   ARG  16          1HG       ARG  16  15.965  -1.001   5.779
  140   2HG   ARG  16          2HG       ARG  16  14.562  -1.496   6.724
  141   1HD   ARG  16          1HD       ARG  16  16.071  -2.822   7.830
  142   2HD   ARG  16          2HD       ARG  16  15.889  -3.887   6.423
  143    HE   ARG  16           HE       ARG  16  17.883  -2.830   5.440
  144   1HH1  ARG  16          1HH1      ARG  16  17.092  -0.758   7.898
  145   2HH1  ARG  16          2HH1      ARG  16  18.664  -0.700   8.623
  146   1HH2  ARG  16          1HH2      ARG  16  19.936  -3.296   6.708
  147   2HH2  ARG  16          2HH2      ARG  16  20.274  -2.137   7.950
  148    H    GLU  17           H        GLU  17  14.092   0.599   3.538
  149    HA   GLU  17           HA       GLU  17  13.950   2.073   6.017
  150   1HB   GLU  17          1HB       GLU  17  14.441   3.974   4.548
  151   2HB   GLU  17          2HB       GLU  17  15.416   2.588   4.063
  152   1HG   GLU  17          1HG       GLU  17  13.531   2.057   2.395
  153   2HG   GLU  17          2HG       GLU  17  12.942   3.685   2.730
  154    H    VAL  18           H        VAL  18  11.741   1.644   3.264
  155    HA   VAL  18           HA       VAL  18   9.816   3.601   4.292
  156    HB   VAL  18           HB       VAL  18   9.732   1.500   2.097
  157   1HG1  VAL  18          1HG1      VAL  18   7.906   3.708   1.749
  158   2HG1  VAL  18          2HG1      VAL  18   7.593   2.921   3.296
  159   3HG1  VAL  18          3HG1      VAL  18   7.551   1.982   1.805
  160   1HG2  VAL  18          1HG2      VAL  18  10.189   4.503   2.084
  161   2HG2  VAL  18          2HG2      VAL  18   9.999   3.516   0.636
  162   3HG2  VAL  18          3HG2      VAL  18  11.380   3.264   1.700
  163    H    LEU  19           H        LEU  19  10.016   0.035   4.109
  164    HA   LEU  19           HA       LEU  19   7.462  -0.487   5.296
  165   1HB   LEU  19          1HB       LEU  19  10.066  -2.022   5.109
  166   2HB   LEU  19          2HB       LEU  19   8.576  -2.734   5.732
  167    HG   LEU  19           HG       LEU  19   8.722  -1.393   3.026
  168   1HD1  LEU  19          1HD1      LEU  19   8.579  -4.069   2.493
  169   2HD1  LEU  19          2HD1      LEU  19   9.649  -4.062   3.895
  170   3HD1  LEU  19          3HD1      LEU  19  10.075  -3.135   2.457
  171   1HD2  LEU  19          1HD2      LEU  19   6.589  -2.250   2.696
  172   2HD2  LEU  19          2HD2      LEU  19   6.542  -1.972   4.437
  173   3HD2  LEU  19          3HD2      LEU  19   6.844  -3.593   3.811
  174    H    ASP  20           H        ASP  20  10.646   0.171   6.672
  175    HA   ASP  20           HA       ASP  20  10.064  -0.644   9.371
  176   1HB   ASP  20          1HB       ASP  20  12.316  -0.232   8.360
  177   2HB   ASP  20          2HB       ASP  20  11.946   1.492   8.312
  178    H    LEU  21           H        LEU  21   9.271   2.189   7.495
  179    HA   LEU  21           HA       LEU  21   8.560   3.823   9.843
  180   1HB   LEU  21          1HB       LEU  21   9.551   4.876   7.908
  181   2HB   LEU  21          2HB       LEU  21   8.378   4.123   6.832
  182    HG   LEU  21           HG       LEU  21   6.574   5.442   7.792
  183   1HD1  LEU  21          1HD1      LEU  21   7.168   5.625  10.092
  184   2HD1  LEU  21          2HD1      LEU  21   7.243   7.270   9.460
  185   3HD1  LEU  21          3HD1      LEU  21   8.729   6.351   9.706
  186   1HD2  LEU  21          1HD2      LEU  21   9.064   6.992   7.063
  187   2HD2  LEU  21          2HD2      LEU  21   7.489   7.757   7.260
  188   3HD2  LEU  21          3HD2      LEU  21   7.729   6.539   6.008
  189    H    VAL  22           H        VAL  22   6.913   2.062   7.224
  190    HA   VAL  22           HA       VAL  22   4.237   2.825   7.730
  191    HB   VAL  22           HB       VAL  22   5.325   0.112   6.906
  192   1HG1  VAL  22          1HG1      VAL  22   2.839   0.392   7.430
  193   2HG1  VAL  22          2HG1      VAL  22   3.226  -0.213   5.818
  194   3HG1  VAL  22          3HG1      VAL  22   2.768   1.476   6.040
  195   1HG2  VAL  22          1HG2      VAL  22   6.231   1.198   5.143
  196   2HG2  VAL  22          2HG2      VAL  22   5.497   2.725   5.637
  197   3HG2  VAL  22          3HG2      VAL  22   4.590   1.593   4.635
  198    H    ARG  23           H        ARG  23   6.225   0.280   9.186
  199    HA   ARG  23           HA       ARG  23   4.284  -1.004  10.799
  200   1HB   ARG  23          1HB       ARG  23   6.488  -1.900  10.417
  201   2HB   ARG  23          2HB       ARG  23   7.253  -0.458  11.076
  202   1HG   ARG  23          1HG       ARG  23   5.600  -1.353  13.146
  203   2HG   ARG  23          2HG       ARG  23   6.282  -2.827  12.462
  204   1HD   ARG  23          1HD       ARG  23   7.992  -0.418  13.143
  205   2HD   ARG  23          2HD       ARG  23   7.708  -1.750  14.282
  206    HE   ARG  23           HE       ARG  23   8.847  -2.209  11.547
  207   1HH1  ARG  23          1HH1      ARG  23   7.907  -4.045  14.063
  208   2HH1  ARG  23          2HH1      ARG  23   9.460  -4.700  14.460
  209   1HH2  ARG  23          1HH2      ARG  23  11.203  -2.495  12.428
  210   2HH2  ARG  23          2HH2      ARG  23  11.325  -3.821  13.537
  211    H    LYS  24           H        LYS  24   6.632   1.495  11.873
  212    HA   LYS  24           HA       LYS  24   5.536   1.949  14.436
  213   1HB   LYS  24          1HB       LYS  24   7.455   3.097  12.622
  214   2HB   LYS  24          2HB       LYS  24   6.544   4.394  13.399
  215   1HG   LYS  24          1HG       LYS  24   7.000   2.709  15.514
  216   2HG   LYS  24          2HG       LYS  24   8.474   2.492  14.567
  217   1HD   LYS  24          1HD       LYS  24   8.420   5.120  14.418
  218   2HD   LYS  24          2HD       LYS  24   7.400   4.985  15.849
  219   1HE   LYS  24          1HE       LYS  24   9.885   3.344  15.863
  220   2HE   LYS  24          2HE       LYS  24  10.090   5.100  16.025
  221   1HZ   LYS  24          1HZ       LYS  24   8.299   5.047  17.717
  222   2HZ   LYS  24          2HZ       LYS  24   9.692   4.197  18.191
  223   3HZ   LYS  24          3HZ       LYS  24   8.321   3.352  17.651
  224    H    VAL  25           H        VAL  25   4.471   3.169  11.300
  225    HA   VAL  25           HA       VAL  25   2.783   5.285  12.331
  226    HB   VAL  25           HB       VAL  25   2.709   3.712   9.733
  227   1HG1  VAL  25          1HG1      VAL  25   1.611   5.723   8.831
  228   2HG1  VAL  25          2HG1      VAL  25   1.664   6.476  10.426
  229   3HG1  VAL  25          3HG1      VAL  25   0.668   5.046  10.158
  230   1HG2  VAL  25          1HG2      VAL  25   3.884   6.401   9.744
  231   2HG2  VAL  25          2HG2      VAL  25   4.505   4.910   9.037
  232   3HG2  VAL  25          3HG2      VAL  25   4.776   5.255  10.745
  233    H    ALA  26           H        ALA  26   2.203   1.879  11.455
  234    HA   ALA  26           HA       ALA  26  -0.653   1.944  11.805
  235   1HB   ALA  26          1HB       ALA  26  -0.381  -0.501  11.810
  236   2HB   ALA  26          2HB       ALA  26   1.346  -0.322  12.123
  237   3HB   ALA  26          3HB       ALA  26   0.666   0.215  10.585
  238    H    GLU  27           H        GLU  27   2.061   1.196  13.986
  239    HA   GLU  27           HA       GLU  27   0.410   0.473  16.251
  240   1HB   GLU  27          1HB       GLU  27   2.862  -0.081  15.709
  241   2HB   GLU  27          2HB       GLU  27   3.237   1.553  16.262
  242   1HG   GLU  27          1HG       GLU  27   1.861   0.897  18.375
  243   2HG   GLU  27          2HG       GLU  27   2.131  -0.760  17.836
  244    H    GLU  28           H        GLU  28   1.456   3.493  14.856
  245    HA   GLU  28           HA       GLU  28   1.241   5.125  17.242
  246   1HB   GLU  28          1HB       GLU  28   1.656   5.390  14.338
  247   2HB   GLU  28          2HB       GLU  28   0.813   6.761  15.061
  248   1HG   GLU  28          1HG       GLU  28   2.991   5.950  16.770
  249   2HG   GLU  28          2HG       GLU  28   3.589   6.227  15.134
  250    H    ASN  29           H        ASN  29  -0.903   4.735  14.393
  251    HA   ASN  29           HA       ASN  29  -3.093   6.203  15.587
  252   1HB   ASN  29          1HB       ASN  29  -2.709   4.360  13.227
  253   2HB   ASN  29          2HB       ASN  29  -4.298   5.018  13.616
  254   1HD2  ASN  29          1HD2      ASN  29  -3.017   5.756  11.186
  255   2HD2  ASN  29          2HD2      ASN  29  -2.573   7.392  11.276
  256    H    GLY  30           H        GLY  30  -2.055   2.860  15.676
  257   1HA   GLY  30          1HA       GLY  30  -2.815   1.311  17.362
  258   2HA   GLY  30          2HA       GLY  30  -4.283   2.271  17.545
  259    H    ARG  31           H        ARG  31  -2.604   0.286  15.083
  260    HA   ARG  31           HA       ARG  31  -4.930  -1.353  14.594
  261   1HB   ARG  31          1HB       ARG  31  -5.485  -0.399  12.364
  262   2HB   ARG  31          2HB       ARG  31  -5.727   0.780  13.652
  263   1HG   ARG  31          1HG       ARG  31  -4.077   2.135  12.883
  264   2HG   ARG  31          2HG       ARG  31  -3.002   0.779  12.540
  265   1HD   ARG  31          1HD       ARG  31  -3.446   1.214  10.344
  266   2HD   ARG  31          2HD       ARG  31  -5.030   0.473  10.654
  267    HE   ARG  31           HE       ARG  31  -4.507   3.342  10.417
  268   1HH1  ARG  31          1HH1      ARG  31  -6.910   1.159  10.110
  269   2HH1  ARG  31          2HH1      ARG  31  -8.120   2.031  10.990
  270   1HH2  ARG  31          1HH2      ARG  31  -5.889   4.360  12.264
  271   2HH2  ARG  31          2HH2      ARG  31  -7.541   3.844  12.210
  272    H    SER  32           H        SER  32  -4.468  -2.035  11.918
  273    HA   SER  32           HA       SER  32  -1.833  -3.373  12.126
  274   1HB   SER  32          1HB       SER  32  -3.852  -4.667  11.606
  275   2HB   SER  32          2HB       SER  32  -4.190  -3.622  10.229
  276    HG   SER  32           HG       SER  32  -3.091  -5.616   9.708
  277    H    VAL  33           H        VAL  33  -0.616  -3.534   9.938
  278    HA   VAL  33           HA       VAL  33  -0.125  -0.816   8.966
  279    HB   VAL  33           HB       VAL  33   1.049  -3.567   8.478
  280   1HG1  VAL  33          1HG1      VAL  33   1.345  -1.150   6.938
  281   2HG1  VAL  33          2HG1      VAL  33   2.091  -2.725   6.676
  282   3HG1  VAL  33          3HG1      VAL  33   2.872  -1.542   7.726
  283   1HG2  VAL  33          1HG2      VAL  33   2.575  -3.027  10.114
  284   2HG2  VAL  33          2HG2      VAL  33   1.224  -2.048  10.687
  285   3HG2  VAL  33          3HG2      VAL  33   2.518  -1.302   9.746
  286    H    ASN  34           H        ASN  34  -1.835  -3.677   7.903
  287    HA   ASN  34           HA       ASN  34  -1.876  -3.180   5.071
  288   1HB   ASN  34          1HB       ASN  34  -3.177  -4.847   7.090
  289   2HB   ASN  34          2HB       ASN  34  -4.301  -4.373   5.816
  290   1HD2  ASN  34          1HD2      ASN  34  -4.166  -5.519   3.869
  291   2HD2  ASN  34          2HD2      ASN  34  -2.888  -6.554   3.451
  292    H    SER  35           H        SER  35  -3.646  -1.826   7.781
  293    HA   SER  35           HA       SER  35  -5.578  -0.449   6.014
  294   1HB   SER  35          1HB       SER  35  -5.142  -0.894   8.945
  295   2HB   SER  35          2HB       SER  35  -6.114   0.492   8.455
  296    HG   SER  35           HG       SER  35  -7.665  -0.848   8.037
  297    H    GLU  36           H        GLU  36  -2.678   0.257   7.943
  298    HA   GLU  36           HA       GLU  36  -2.819   3.100   7.912
  299   1HB   GLU  36          1HB       GLU  36  -1.288   1.320   9.097
  300   2HB   GLU  36          2HB       GLU  36  -0.281   1.501   7.662
  301   1HG   GLU  36          1HG       GLU  36   0.440   3.035   9.429
  302   2HG   GLU  36          2HG       GLU  36  -0.177   3.924   8.040
  303    H    ILE  37           H        ILE  37  -1.569   0.738   5.581
  304    HA   ILE  37           HA       ILE  37  -0.528   2.741   3.726
  305    HB   ILE  37           HB       ILE  37  -1.132  -0.235   3.608
  306   1HG1  ILE  37          1HG1      ILE  37   0.707   0.619   5.123
  307   2HG1  ILE  37          2HG1      ILE  37   1.247  -0.510   3.882
  308   1HG2  ILE  37          1HG2      ILE  37  -1.092   0.083   1.348
  309   2HG2  ILE  37          2HG2      ILE  37   0.653   0.173   1.597
  310   3HG2  ILE  37          3HG2      ILE  37  -0.299   1.653   1.482
  311   1HD1  ILE  37          1HD1      ILE  37   1.399   2.513   3.647
  312   2HD1  ILE  37          2HD1      ILE  37   2.023   1.342   2.484
  313   3HD1  ILE  37          3HD1      ILE  37   2.749   1.469   4.085
  314    H    TYR  38           H        TYR  38  -3.584   1.123   4.297
  315    HA   TYR  38           HA       TYR  38  -4.757   1.643   1.696
  316   1HB   TYR  38          1HB       TYR  38  -5.491  -0.158   3.161
  317   2HB   TYR  38          2HB       TYR  38  -5.848   0.987   4.451
  318    HD1  TYR  38           HD1      TYR  38  -8.114   1.327   4.765
  319    HD2  TYR  38           HD2      TYR  38  -6.602   0.793   0.769
  320    HE1  TYR  38           HE1      TYR  38 -10.410   1.661   3.857
  321    HE2  TYR  38           HE2      TYR  38  -8.898   1.125  -0.152
  322    HH   TYR  38           HH       TYR  38 -11.600   2.066   1.946
  323    H    GLN  39           H        GLN  39  -4.451   3.428   4.711
  324    HA   GLN  39           HA       GLN  39  -6.495   5.417   4.023
  325   1HB   GLN  39          1HB       GLN  39  -4.360   5.138   6.157
  326   2HB   GLN  39          2HB       GLN  39  -5.468   6.509   6.090
  327   1HG   GLN  39          1HG       GLN  39  -6.366   3.615   6.200
  328   2HG   GLN  39          2HG       GLN  39  -6.237   4.660   7.615
  329   1HE2  GLN  39          1HE2      GLN  39  -8.350   3.684   5.118
  330   2HE2  GLN  39          2HE2      GLN  39  -9.505   4.914   5.288
  331    H    ARG  40           H        ARG  40  -2.926   5.383   4.284
  332    HA   ARG  40           HA       ARG  40  -2.445   8.029   3.353
  333   1HB   ARG  40          1HB       ARG  40  -0.883   5.433   3.140
  334   2HB   ARG  40          2HB       ARG  40  -0.193   7.019   2.796
  335   1HG   ARG  40          1HG       ARG  40  -1.179   7.604   5.186
  336   2HG   ARG  40          2HG       ARG  40  -1.063   5.859   5.416
  337   1HD   ARG  40          1HD       ARG  40   1.362   6.085   4.538
  338   2HD   ARG  40          2HD       ARG  40   1.164   7.821   4.850
  339    HE   ARG  40           HE       ARG  40   1.219   5.702   6.899
  340   1HH1  ARG  40          1HH1      ARG  40   2.473   8.561   6.792
  341   2HH1  ARG  40          2HH1      ARG  40   1.583   9.321   8.069
  342   1HH2  ARG  40          1HH2      ARG  40  -0.830   6.835   8.222
  343   2HH2  ARG  40          2HH2      ARG  40  -0.288   8.344   8.877
  344    H    VAL  41           H        VAL  41  -3.208   5.046   1.688
  345    HA   VAL  41           HA       VAL  41  -2.562   6.057  -0.993
  346    HB   VAL  41           HB       VAL  41  -3.848   3.597   0.218
  347   1HG1  VAL  41          1HG1      VAL  41  -4.768   4.191  -2.115
  348   2HG1  VAL  41          2HG1      VAL  41  -4.056   2.588  -1.919
  349   3HG1  VAL  41          3HG1      VAL  41  -3.136   3.873  -2.705
  350   1HG2  VAL  41          1HG2      VAL  41  -1.318   3.814  -1.410
  351   2HG2  VAL  41          2HG2      VAL  41  -1.789   2.544  -0.281
  352   3HG2  VAL  41          3HG2      VAL  41  -1.328   4.133   0.324
  353    H    MET  42           H        MET  42  -5.332   5.852   1.140
  354    HA   MET  42           HA       MET  42  -7.358   6.344  -0.893
  355   1HB   MET  42          1HB       MET  42  -7.119   5.732   1.908
  356   2HB   MET  42          2HB       MET  42  -8.202   7.106   1.716
  357   1HG   MET  42          1HG       MET  42  -9.481   5.828   0.009
  358   2HG   MET  42          2HG       MET  42  -8.430   4.441   0.293
  359   1HE   MET  42          1HE       MET  42 -11.780   5.962   1.204
  360   2HE   MET  42          2HE       MET  42 -10.600   7.101   1.834
  361   3HE   MET  42          3HE       MET  42 -11.660   6.243   2.946
  362    H    GLU  43           H        GLU  43  -5.234   8.324   1.060
  363    HA   GLU  43           HA       GLU  43  -6.780  10.786   0.827
  364   1HB   GLU  43          1HB       GLU  43  -4.211   9.811   1.921
  365   2HB   GLU  43          2HB       GLU  43  -4.200  11.500   1.414
  366   1HG   GLU  43          1HG       GLU  43  -6.564  11.444   2.723
  367   2HG   GLU  43          2HG       GLU  43  -5.700  10.197   3.624
  368    H    SER  44           H        SER  44  -4.136   9.257  -0.970
  369    HA   SER  44           HA       SER  44  -3.312  11.450  -2.570
  370   1HB   SER  44          1HB       SER  44  -2.519   9.643  -4.074
  371   2HB   SER  44          2HB       SER  44  -2.182   9.264  -2.387
  372    HG   SER  44           HG       SER  44  -3.202   7.483  -2.905
  373    H    PHE  45           H        PHE  45  -5.951   9.102  -3.063
  374    HA   PHE  45           HA       PHE  45  -6.745  10.172  -5.643
  375   1HB   PHE  45          1HB       PHE  45  -8.077   8.403  -3.571
  376   2HB   PHE  45          2HB       PHE  45  -8.722   8.677  -5.189
  377    HD1  PHE  45           HD1      PHE  45  -7.262   6.191  -3.504
  378    HD2  PHE  45           HD2      PHE  45  -6.351   8.700  -6.896
  379    HE1  PHE  45           HE1      PHE  45  -5.763   4.421  -4.410
  380    HE2  PHE  45           HE2      PHE  45  -4.851   6.929  -7.802
  381    HZ   PHE  45           HZ       PHE  45  -4.559   4.789  -6.561
  382    H    LYS  46           H        LYS  46  -7.770  10.697  -2.282
  383    HA   LYS  46           HA       LYS  46 -10.160  12.153  -2.737
  384   1HB   LYS  46          1HB       LYS  46  -8.738  11.300  -0.604
  385   2HB   LYS  46          2HB       LYS  46  -8.306  13.010  -0.566
  386   1HG   LYS  46          1HG       LYS  46 -10.680  13.626  -0.568
  387   2HG   LYS  46          2HG       LYS  46 -11.130  11.922  -0.638
  388   1HD   LYS  46          1HD       LYS  46  -9.287  12.743   1.550
  389   2HD   LYS  46          2HD       LYS  46 -10.970  13.250   1.688
  390   1HE   LYS  46          1HE       LYS  46 -11.060  10.551   0.855
  391   2HE   LYS  46          2HE       LYS  46  -9.845  10.624   2.141
  392   1HZ   LYS  46          1HZ       LYS  46 -12.640  11.601   2.230
  393   2HZ   LYS  46          2HZ       LYS  46 -11.470  12.080   3.366
  394   3HZ   LYS  46          3HZ       LYS  46 -11.910  10.444   3.234
  395    H    LYS  47           H        LYS  47  -6.795  13.356  -2.460
  396    HA   LYS  47           HA       LYS  47  -7.380  16.129  -2.793
  397   1HB   LYS  47          1HB       LYS  47  -5.034  14.297  -3.164
  398   2HB   LYS  47          2HB       LYS  47  -4.899  15.965  -3.723
  399   1HG   LYS  47          1HG       LYS  47  -6.078  16.177  -1.198
  400   2HG   LYS  47          2HG       LYS  47  -4.849  14.926  -1.003
  401   1HD   LYS  47          1HD       LYS  47  -3.190  16.456  -2.085
  402   2HD   LYS  47          2HD       LYS  47  -4.424  17.716  -2.112
  403   1HE   LYS  47          1HE       LYS  47  -4.422  16.723   0.533
  404   2HE   LYS  47          2HE       LYS  47  -2.717  16.930   0.083
  405   1HZ   LYS  47          1HZ       LYS  47  -4.867  18.944  -0.323
  406   2HZ   LYS  47          2HZ       LYS  47  -3.234  19.133  -0.757
  407   3HZ   LYS  47          3HZ       LYS  47  -3.672  19.016   0.879
  408    H    GLU  48           H        GLU  48  -6.890  13.529  -5.153
  409    HA   GLU  48           HA       GLU  48  -6.875  15.360  -7.446
  410   1HB   GLU  48          1HB       GLU  48  -6.470  12.517  -6.824
  411   2HB   GLU  48          2HB       GLU  48  -7.291  12.780  -8.362
  412   1HG   GLU  48          1HG       GLU  48  -5.424  14.595  -8.729
  413   2HG   GLU  48          2HG       GLU  48  -4.553  13.670  -7.506
  414    H    GLY  49           H        GLY  49  -9.290  13.844  -5.509
  415   1HA   GLY  49          1HA       GLY  49 -11.630  14.031  -5.682
  416   2HA   GLY  49          2HA       GLY  49 -11.410  14.936  -7.180
  417    H    ARG  50           H        ARG  50  -9.834  11.854  -6.845
  418    HA   ARG  50           HA       ARG  50 -11.150  10.790  -9.188
  419   1HB   ARG  50          1HB       ARG  50  -9.487   9.460  -7.022
  420   2HB   ARG  50          2HB       ARG  50  -9.793   8.807  -8.631
  421   1HG   ARG  50          1HG       ARG  50  -8.775  11.540  -8.738
  422   2HG   ARG  50          2HG       ARG  50  -7.660  10.448  -7.913
  423   1HD   ARG  50          1HD       ARG  50  -7.010   9.648  -9.929
  424   2HD   ARG  50          2HD       ARG  50  -8.665   9.067 -10.206
  425    HE   ARG  50           HE       ARG  50  -9.109  11.545 -10.901
  426   1HH1  ARG  50          1HH1      ARG  50  -6.899   9.351 -12.130
  427   2HH1  ARG  50          2HH1      ARG  50  -6.035  10.493 -13.104
  428   1HH2  ARG  50          1HH2      ARG  50  -7.661  13.253 -11.781
  429   2HH2  ARG  50          2HH2      ARG  50  -6.466  12.702 -12.907
  430    H    ILE  51           H        ILE  51 -11.600  10.387  -5.697
  431    HA   ILE  51           HA       ILE  51 -13.590   8.236  -6.040
  432    HB   ILE  51           HB       ILE  51 -12.880   9.872  -3.585
  433   1HG1  ILE  51          1HG1      ILE  51 -11.610   7.264  -4.476
  434   2HG1  ILE  51          2HG1      ILE  51 -10.860   8.838  -4.754
  435   1HG2  ILE  51          1HG2      ILE  51 -14.670   8.593  -2.918
  436   2HG2  ILE  51          2HG2      ILE  51 -13.380   7.408  -2.674
  437   3HG2  ILE  51          3HG2      ILE  51 -14.370   7.351  -4.134
  438   1HD1  ILE  51          1HD1      ILE  51 -10.340   7.396  -2.553
  439   2HD1  ILE  51          2HD1      ILE  51 -11.780   8.248  -1.979
  440   3HD1  ILE  51          3HD1      ILE  51 -10.370   9.159  -2.532
  441    H    GLY  52           H        GLY  52 -15.770   8.631  -4.809
  442   1HA   GLY  52          1HA       GLY  52 -16.790  11.336  -5.577
  443   2HA   GLY  52          2HA       GLY  52 -17.770   9.867  -5.667
  444    H    ALA  53           H        ALA  53 -16.920   8.751  -3.149
  445    HA   ALA  53           HA       ALA  53 -18.020  10.763  -1.219
  446   1HB   ALA  53          1HB       ALA  53 -18.930   8.075  -2.055
  447   2HB   ALA  53          2HB       ALA  53 -19.860   9.410  -1.368
  448   3HB   ALA  53          3HB       ALA  53 -18.930   8.344  -0.313
  449   1H    MET   1          1H        MET   1  -5.790 -24.093 -17.108
  450   2H    MET   1          2H        MET   1  -4.942 -23.809 -18.554
  451   3H    MET   1          3H        MET   1  -6.588 -24.231 -18.599
  452    HA   MET   1           HA       MET   1  -6.637 -21.939 -18.950
  453   1HB   MET   1          1HB       MET   1  -7.559 -23.180 -16.587
  454   2HB   MET   1          2HB       MET   1  -6.931 -21.610 -16.086
  455   1HG   MET   1          1HG       MET   1  -8.292 -20.513 -17.838
  456   2HG   MET   1          2HG       MET   1  -8.940 -22.086 -18.307
  457   1HE   MET   1          1HE       MET   1 -12.120 -21.767 -16.678
  458   2HE   MET   1          2HE       MET   1 -11.080 -22.248 -18.018
  459   3HE   MET   1          3HE       MET   1 -11.420 -20.542 -17.752
  460    H    LYS   2           H        LYS   2  -5.902 -19.742 -18.191
  461    HA   LYS   2           HA       LYS   2  -3.134 -19.848 -17.033
  462   1HB   LYS   2          1HB       LYS   2  -3.959 -19.172 -19.608
  463   2HB   LYS   2          2HB       LYS   2  -3.739 -17.610 -18.819
  464   1HG   LYS   2          1HG       LYS   2  -1.471 -18.053 -18.311
  465   2HG   LYS   2          2HG       LYS   2  -1.658 -19.784 -18.597
  466   1HD   LYS   2          1HD       LYS   2  -1.647 -19.543 -20.914
  467   2HD   LYS   2          2HD       LYS   2  -2.192 -17.866 -20.843
  468   1HE   LYS   2          1HE       LYS   2   0.276 -17.926 -19.457
  469   2HE   LYS   2          2HE       LYS   2   0.519 -18.864 -20.944
  470   1HZ   LYS   2          1HZ       LYS   2  -0.233 -17.116 -22.268
  471   2HZ   LYS   2          2HZ       LYS   2   0.735 -16.336 -21.110
  472   3HZ   LYS   2          3HZ       LYS   2  -0.957 -16.304 -20.966
  473    H    GLY   3           H        GLY   3  -3.028 -18.717 -15.139
  474   1HA   GLY   3          1HA       GLY   3  -5.119 -16.671 -14.588
  475   2HA   GLY   3          2HA       GLY   3  -4.112 -17.453 -13.368
  476    H    MET   4           H        MET   4  -1.699 -17.060 -15.144
  477    HA   MET   4           HA       MET   4   0.040 -15.478 -15.307
  478   1HB   MET   4          1HB       MET   4  -2.511 -14.039 -15.960
  479   2HB   MET   4          2HB       MET   4  -1.012 -13.114 -15.870
  480   1HG   MET   4          1HG       MET   4   0.015 -14.797 -17.451
  481   2HG   MET   4          2HG       MET   4  -1.595 -15.489 -17.659
  482   1HE   MET   4          1HE       MET   4  -3.328 -13.959 -19.968
  483   2HE   MET   4          2HE       MET   4  -3.803 -12.964 -18.593
  484   3HE   MET   4          3HE       MET   4  -3.390 -14.659 -18.345
  485    H    SER   5           H        SER   5  -2.135 -13.018 -14.009
  486    HA   SER   5           HA       SER   5  -0.797 -13.240 -11.346
  487   1HB   SER   5          1HB       SER   5  -0.628 -10.653 -11.578
  488   2HB   SER   5          2HB       SER   5   0.527 -11.638 -12.472
  489    HG   SER   5           HG       SER   5  -0.494  -9.998 -13.752
  490    H    LYS   6           H        LYS   6  -2.172 -12.711  -9.640
  491    HA   LYS   6           HA       LYS   6  -4.878 -11.625 -10.359
  492   1HB   LYS   6          1HB       LYS   6  -3.956 -14.035  -8.917
  493   2HB   LYS   6          2HB       LYS   6  -5.257 -13.154  -8.114
  494   1HG   LYS   6          1HG       LYS   6  -5.452 -13.707 -11.061
  495   2HG   LYS   6          2HG       LYS   6  -5.843 -14.988  -9.910
  496   1HD   LYS   6          1HD       LYS   6  -7.178 -12.852  -8.825
  497   2HD   LYS   6          2HD       LYS   6  -7.329 -12.523 -10.551
  498   1HE   LYS   6          1HE       LYS   6  -7.954 -15.099 -10.671
  499   2HE   LYS   6          2HE       LYS   6  -8.393 -14.839  -8.971
  500   1HZ   LYS   6          1HZ       LYS   6 -10.160 -14.311 -10.704
  501   2HZ   LYS   6          2HZ       LYS   6  -9.216 -12.953 -11.096
  502   3HZ   LYS   6          3HZ       LYS   6  -9.855 -13.125  -9.530
  503    H    MET   7           H        MET   7  -5.977 -10.777  -8.239
  504    HA   MET   7           HA       MET   7  -4.524  -8.596  -7.184
  505   1HB   MET   7          1HB       MET   7  -6.965 -10.167  -6.419
  506   2HB   MET   7          2HB       MET   7  -6.383  -8.910  -5.328
  507   1HG   MET   7          1HG       MET   7  -6.703  -7.206  -6.920
  508   2HG   MET   7          2HG       MET   7  -6.750  -8.347  -8.265
  509   1HE   MET   7          1HE       MET   7  -8.693  -8.549  -4.711
  510   2HE   MET   7          2HE       MET   7  -9.959  -7.410  -5.158
  511   3HE   MET   7          3HE       MET   7  -8.272  -6.905  -5.210
  512    HA   PRO   8           HA       PRO   8  -1.943 -10.623  -4.208
  513   1HB   PRO   8          1HB       PRO   8  -1.227  -8.447  -2.720
  514   2HB   PRO   8          2HB       PRO   8  -0.566  -8.771  -4.335
  515   1HG   PRO   8          1HG       PRO   8  -2.671  -6.852  -3.503
  516   2HG   PRO   8          2HG       PRO   8  -1.433  -6.700  -4.758
  517   1HD   PRO   8          1HD       PRO   8  -4.078  -7.295  -5.236
  518   2HD   PRO   8          2HD       PRO   8  -2.738  -7.689  -6.335
  519    H    GLN   9           H        GLN   9  -1.926 -11.101  -1.871
  520    HA   GLN   9           HA       GLN   9  -4.583 -11.152  -0.694
  521   1HB   GLN   9          1HB       GLN   9  -1.915 -12.257  -0.288
  522   2HB   GLN   9          2HB       GLN   9  -2.670 -11.814   1.243
  523   1HG   GLN   9          1HG       GLN   9  -3.531 -13.946   0.982
  524   2HG   GLN   9          2HG       GLN   9  -4.777 -13.015   0.148
  525   1HE2  GLN   9          1HE2      GLN   9  -4.740 -13.021  -2.238
  526   2HE2  GLN   9          2HE2      GLN   9  -3.899 -14.226  -3.087
  527    H    PHE  10           H        PHE  10  -1.922  -8.926  -0.587
  528    HA   PHE  10           HA       PHE  10  -2.429  -7.773   2.015
  529   1HB   PHE  10          1HB       PHE  10  -0.327  -7.645   0.626
  530   2HB   PHE  10          2HB       PHE  10  -1.175  -6.542  -0.457
  531    HD1  PHE  10           HD1      PHE  10  -1.600  -4.244   0.152
  532    HD2  PHE  10           HD2      PHE  10   0.089  -7.001   3.009
  533    HE1  PHE  10           HE1      PHE  10  -1.067  -2.342   1.672
  534    HE2  PHE  10           HE2      PHE  10   0.626  -5.100   4.528
  535    HZ   PHE  10           HZ       PHE  10   0.047  -2.770   3.861
  536    H    LEU  11           H        LEU  11  -3.596  -7.073  -1.269
  537    HA   LEU  11           HA       LEU  11  -5.110  -4.714  -0.335
  538   1HB   LEU  11          1HB       LEU  11  -4.875  -6.137  -3.008
  539   2HB   LEU  11          2HB       LEU  11  -5.683  -4.588  -2.756
  540    HG   LEU  11           HG       LEU  11  -2.761  -5.147  -2.163
  541   1HD1  LEU  11          1HD1      LEU  11  -4.071  -3.546  -4.382
  542   2HD1  LEU  11          2HD1      LEU  11  -3.257  -5.097  -4.583
  543   3HD1  LEU  11          3HD1      LEU  11  -2.336  -3.673  -4.096
  544   1HD2  LEU  11          1HD2      LEU  11  -4.573  -2.771  -1.806
  545   2HD2  LEU  11          2HD2      LEU  11  -2.854  -2.524  -2.116
  546   3HD2  LEU  11          3HD2      LEU  11  -3.373  -3.428  -0.692
  547    H    ASN  12           H        ASN  12  -5.693  -7.758   0.332
  548    HA   ASN  12           HA       ASN  12  -8.283  -8.309  -0.838
  549   1HB   ASN  12          1HB       ASN  12  -6.377  -9.697   0.520
  550   2HB   ASN  12          2HB       ASN  12  -7.552  -9.434   1.810
  551   1HD2  ASN  12          1HD2      ASN  12  -7.394 -10.592  -1.603
  552   2HD2  ASN  12          2HD2      ASN  12  -8.664 -11.705  -1.437
  553    H    ARG  13           H        ARG  13  -7.180  -6.607   2.056
  554    HA   ARG  13           HA       ARG  13  -9.847  -6.415   3.240
  555   1HB   ARG  13          1HB       ARG  13  -7.202  -6.142   4.049
  556   2HB   ARG  13          2HB       ARG  13  -7.812  -4.487   4.088
  557   1HG   ARG  13          1HG       ARG  13  -9.895  -5.688   5.260
  558   2HG   ARG  13          2HG       ARG  13  -8.648  -6.855   5.702
  559   1HD   ARG  13          1HD       ARG  13  -7.338  -4.550   6.289
  560   2HD   ARG  13          2HD       ARG  13  -9.010  -4.053   6.618
  561    HE   ARG  13           HE       ARG  13  -7.560  -6.242   7.996
  562   1HH1  ARG  13          1HH1      ARG  13  -9.680  -3.750   8.442
  563   2HH1  ARG  13          2HH1      ARG  13 -10.830  -4.631   9.390
  564   1HH2  ARG  13          1HH2      ARG  13  -9.380  -7.717   8.770
  565   2HH2  ARG  13          2HH2      ARG  13 -10.660  -6.875   9.577
  566    H    TRP  14           H        TRP  14  -8.190  -4.763   0.744
  567    HA   TRP  14           HA       TRP  14  -9.374  -2.129   1.100
  568   1HB   TRP  14          1HB       TRP  14  -7.924  -3.621  -1.089
  569   2HB   TRP  14          2HB       TRP  14  -8.465  -1.961  -1.278
  570    HD1  TRP  14           HD1      TRP  14  -7.118  -3.241   2.079
  571    HE1  TRP  14           HE1      TRP  14  -4.914  -2.016   2.595
  572    HE3  TRP  14           HE3      TRP  14  -6.497  -0.748  -2.308
  573    HZ2  TRP  14           HZ2      TRP  14  -3.097  -0.191   1.302
  574    HZ3  TRP  14           HZ3      TRP  14  -4.513   0.734  -2.671
  575    HH2  TRP  14           HH2      TRP  14  -2.820   1.012  -0.867
  576    HA   PRO  15           HA       PRO  15 -13.290  -3.231  -0.655
  577   1HB   PRO  15          1HB       PRO  15 -14.130  -0.742  -1.432
  578   2HB   PRO  15          2HB       PRO  15 -14.150  -1.298   0.253
  579   1HG   PRO  15          1HG       PRO  15 -12.180   0.446  -1.139
  580   2HG   PRO  15          2HG       PRO  15 -12.840   0.575   0.500
  581   1HD   PRO  15          1HD       PRO  15 -10.370  -0.428  -0.022
  582   2HD   PRO  15          2HD       PRO  15 -11.360  -0.957   1.360
  583    H    ARG  16           H        ARG  16 -14.500  -2.805  -2.821
  584    HA   ARG  16           HA       ARG  16 -12.630  -3.286  -4.994
  585   1HB   ARG  16          1HB       ARG  16 -14.470  -4.580  -5.325
  586   2HB   ARG  16          2HB       ARG  16 -15.460  -3.581  -4.279
  587   1HG   ARG  16          1HG       ARG  16 -16.170  -2.226  -6.002
  588   2HG   ARG  16          2HG       ARG  16 -14.750  -2.539  -6.991
  589   1HD   ARG  16          1HD       ARG  16 -16.150  -3.943  -8.142
  590   2HD   ARG  16          2HD       ARG  16 -15.840  -5.056  -6.792
  591    HE   ARG  16           HE       ARG  16 -17.910  -4.236  -5.729
  592   1HH1  ARG  16          1HH1      ARG  16 -17.350  -1.987  -8.094
  593   2HH1  ARG  16          2HH1      ARG  16 -18.940  -2.033  -8.789
  594   1HH2  ARG  16          1HH2      ARG  16 -19.930  -4.824  -6.986
  595   2HH2  ARG  16          2HH2      ARG  16 -20.400  -3.643  -8.163
  596    H    GLU  17           H        GLU  17 -14.410  -0.563  -3.720
  597    HA   GLU  17           HA       GLU  17 -14.440   1.030  -6.127
  598   1HB   GLU  17          1HB       GLU  17 -15.080   2.808  -4.563
  599   2HB   GLU  17          2HB       GLU  17 -15.910   1.319  -4.130
  600   1HG   GLU  17          1HG       GLU  17 -13.950   0.888  -2.518
  601   2HG   GLU  17          2HG       GLU  17 -13.520   2.576  -2.786
  602    H    VAL  18           H        VAL  18 -12.160   0.684  -3.430
  603    HA   VAL  18           HA       VAL  18 -10.430   2.852  -4.393
  604    HB   VAL  18           HB       VAL  18 -10.120   0.666  -2.303
  605   1HG1  VAL  18          1HG1      VAL  18  -8.495   3.015  -1.880
  606   2HG1  VAL  18          2HG1      VAL  18  -8.144   2.331  -3.468
  607   3HG1  VAL  18          3HG1      VAL  18  -7.986   1.332  -2.024
  608   1HG2  VAL  18          1HG2      VAL  18 -10.840   3.612  -2.136
  609   2HG2  VAL  18          2HG2      VAL  18 -10.530   2.576  -0.742
  610   3HG2  VAL  18          3HG2      VAL  18 -11.910   2.252  -1.796
  611    H    LEU  19           H        LEU  19 -10.300  -0.722  -4.367
  612    HA   LEU  19           HA       LEU  19  -7.740  -0.956  -5.620
  613   1HB   LEU  19          1HB       LEU  19 -10.190  -2.726  -5.474
  614   2HB   LEU  19          2HB       LEU  19  -8.662  -3.269  -6.156
  615    HG   LEU  19           HG       LEU  19  -8.870  -2.084  -3.383
  616   1HD1  LEU  19          1HD1      LEU  19  -8.482  -4.756  -2.986
  617   2HD1  LEU  19          2HD1      LEU  19  -9.566  -4.782  -4.376
  618   3HD1  LEU  19          3HD1      LEU  19 -10.050  -3.968  -2.890
  619   1HD2  LEU  19          1HD2      LEU  19  -6.664  -2.771  -3.126
  620   2HD2  LEU  19          2HD2      LEU  19  -6.674  -2.387  -4.847
  621   3HD2  LEU  19          3HD2      LEU  19  -6.819  -4.062  -4.316
  622    H    ASP  20           H        ASP  20 -10.990  -0.535  -6.918
  623    HA   ASP  20           HA       ASP  20 -10.400  -1.157  -9.660
  624   1HB   ASP  20          1HB       ASP  20 -12.650  -0.997  -8.590
  625   2HB   ASP  20          2HB       ASP  20 -12.440   0.750  -8.469
  626    H    LEU  21           H        LEU  21  -9.831   1.651  -7.663
  627    HA   LEU  21           HA       LEU  21  -9.313   3.450  -9.941
  628   1HB   LEU  21          1HB       LEU  21 -10.350   4.329  -7.946
  629   2HB   LEU  21          2HB       LEU  21  -9.106   3.621  -6.920
  630    HG   LEU  21           HG       LEU  21  -7.425   5.122  -7.854
  631   1HD1  LEU  21          1HD1      LEU  21  -8.089   5.392 -10.119
  632   2HD1  LEU  21          2HD1      LEU  21  -8.298   6.985  -9.393
  633   3HD1  LEU  21          3HD1      LEU  21  -9.699   5.948  -9.662
  634   1HD2  LEU  21          1HD2      LEU  21 -10.000   6.440  -6.973
  635   2HD2  LEU  21          2HD2      LEU  21  -8.487   7.326  -7.160
  636   3HD2  LEU  21          3HD2      LEU  21  -8.608   6.025  -5.975
  637    H    VAL  22           H        VAL  22  -7.466   1.725  -7.436
  638    HA   VAL  22           HA       VAL  22  -4.878   2.745  -7.944
  639    HB   VAL  22           HB       VAL  22  -5.701  -0.094  -7.239
  640   1HG1  VAL  22          1HG1      VAL  22  -3.263   0.437  -7.778
  641   2HG1  VAL  22          2HG1      VAL  22  -3.564  -0.269  -6.190
  642   3HG1  VAL  22          3HG1      VAL  22  -3.268   1.464  -6.343
  643   1HG2  VAL  22          1HG2      VAL  22  -6.680   0.822  -5.419
  644   2HG2  VAL  22          2HG2      VAL  22  -6.084   2.429  -5.834
  645   3HG2  VAL  22          3HG2      VAL  22  -5.071   1.325  -4.904
  646    H    ARG  23           H        ARG  23  -6.660   0.105  -9.499
  647    HA   ARG  23           HA       ARG  23  -4.637  -0.922 -11.195
  648   1HB   ARG  23          1HB       ARG  23  -6.739  -2.034 -10.825
  649   2HB   ARG  23          2HB       ARG  23  -7.648  -0.640 -11.400
  650   1HG   ARG  23          1HG       ARG  23  -5.961  -1.282 -13.538
  651   2HG   ARG  23          2HG       ARG  23  -6.493  -2.842 -12.914
  652   1HD   ARG  23          1HD       ARG  23  -8.427  -0.570 -13.450
  653   2HD   ARG  23          2HD       ARG  23  -8.047  -1.817 -14.656
  654    HE   ARG  23           HE       ARG  23  -9.082  -2.505 -11.929
  655   1HH1  ARG  23          1HH1      ARG  23  -8.028  -4.129 -14.541
  656   2HH1  ARG  23          2HH1      ARG  23  -9.521  -4.907 -14.944
  657   1HH2  ARG  23          1HH2      ARG  23 -11.420  -2.963 -12.789
  658   2HH2  ARG  23          2HH2      ARG  23 -11.440  -4.246 -13.953
  659    H    LYS  24           H        LYS  24  -7.219   1.403 -12.112
  660    HA   LYS  24           HA       LYS  24  -6.215   2.071 -14.669
  661   1HB   LYS  24          1HB       LYS  24  -8.196   2.954 -12.774
  662   2HB   LYS  24          2HB       LYS  24  -7.424   4.362 -13.503
  663   1HG   LYS  24          1HG       LYS  24  -7.763   2.744 -15.688
  664   2HG   LYS  24          2HG       LYS  24  -9.189   2.344 -14.732
  665   1HD   LYS  24          1HD       LYS  24  -9.377   4.956 -14.456
  666   2HD   LYS  24          2HD       LYS  24  -8.379   4.983 -15.909
  667   1HE   LYS  24          1HE       LYS  24 -10.700   3.121 -15.959
  668   2HE   LYS  24          2HE       LYS  24 -11.070   4.855 -16.035
  669   1HZ   LYS  24          1HZ       LYS  24  -9.317   5.046 -17.756
  670   2HZ   LYS  24          2HZ       LYS  24 -10.630   4.093 -18.247
  671   3HZ   LYS  24          3HZ       LYS  24  -9.182   3.355 -17.769
  672    H    VAL  25           H        VAL  25  -5.202   3.226 -11.494
  673    HA   VAL  25           HA       VAL  25  -3.735   5.539 -12.446
  674    HB   VAL  25           HB       VAL  25  -3.475   3.858  -9.930
  675   1HG1  VAL  25          1HG1      VAL  25  -2.546   5.916  -8.945
  676   2HG1  VAL  25          2HG1      VAL  25  -2.690   6.732 -10.503
  677   3HG1  VAL  25          3HG1      VAL  25  -1.568   5.384 -10.313
  678   1HG2  VAL  25          1HG2      VAL  25  -4.886   6.429  -9.802
  679   2HG2  VAL  25          2HG2      VAL  25  -5.356   4.857  -9.151
  680   3HG2  VAL  25          3HG2      VAL  25  -5.689   5.249 -10.838
  681    H    ALA  26           H        ALA  26  -2.833   2.162 -11.736
  682    HA   ALA  26           HA       ALA  26  -0.004   2.506 -12.129
  683   1HB   ALA  26          1HB       ALA  26  -0.041   0.056 -12.225
  684   2HB   ALA  26          2HB       ALA  26  -1.778   0.076 -12.532
  685   3HB   ALA  26          3HB       ALA  26  -1.151   0.610 -10.972
  686    H    GLU  27           H        GLU  27  -2.682   1.616 -14.299
  687    HA   GLU  27           HA       GLU  27  -1.014   1.151 -16.621
  688   1HB   GLU  27          1HB       GLU  27  -3.395   0.350 -16.071
  689   2HB   GLU  27          2HB       GLU  27  -3.929   1.964 -16.540
  690   1HG   GLU  27          1HG       GLU  27  -2.534   1.533 -18.701
  691   2HG   GLU  27          2HG       GLU  27  -2.649  -0.163 -18.236
  692    H    GLU  28           H        GLU  28  -2.299   3.997 -15.070
  693    HA   GLU  28           HA       GLU  28  -2.281   5.748 -17.382
  694   1HB   GLU  28          1HB       GLU  28  -2.659   5.846 -14.460
  695   2HB   GLU  28          2HB       GLU  28  -1.960   7.319 -15.136
  696   1HG   GLU  28          1HG       GLU  28  -4.091   6.389 -16.842
  697   2HG   GLU  28          2HG       GLU  28  -4.678   6.530 -15.186
  698    H    ASN  29           H        ASN  29  -0.059   5.424 -14.587
  699    HA   ASN  29           HA       ASN  29   1.967   7.142 -15.738
  700   1HB   ASN  29          1HB       ASN  29   1.795   5.159 -13.466
  701   2HB   ASN  29          2HB       ASN  29   3.312   5.976 -13.847
  702   1HD2  ASN  29          1HD2      ASN  29   2.014   6.471 -11.364
  703   2HD2  ASN  29          2HD2      ASN  29   1.426   8.063 -11.361
  704    H    GLY  30           H        GLY  30   1.233   3.725 -15.966
  705   1HA   GLY  30          1HA       GLY  30   2.092   2.326 -17.734
  706   2HA   GLY  30          2HA       GLY  30   3.462   3.425 -17.900
  707    H    ARG  31           H        ARG  31   2.025   1.180 -15.512
  708    HA   ARG  31           HA       ARG  31   4.503  -0.251 -15.128
  709   1HB   ARG  31          1HB       ARG  31   5.011   0.653 -12.869
  710   2HB   ARG  31          2HB       ARG  31   5.108   1.908 -14.103
  711   1HG   ARG  31          1HG       ARG  31   3.356   3.059 -13.238
  712   2HG   ARG  31          2HG       ARG  31   2.423   1.590 -12.946
  713   1HD   ARG  31          1HD       ARG  31   2.868   1.968 -10.739
  714   2HD   ARG  31          2HD       ARG  31   4.504   1.388 -11.109
  715    HE   ARG  31           HE       ARG  31   3.731   4.186 -10.727
  716   1HH1  ARG  31          1HH1      ARG  31   6.327   2.218 -10.560
  717   2HH1  ARG  31          2HH1      ARG  31   7.435   3.238 -11.415
  718   1HH2  ARG  31          1HH2      ARG  31   4.980   5.406 -12.551
  719   2HH2  ARG  31          2HH2      ARG  31   6.674   5.042 -12.542
  720    H    SER  32           H        SER  32   4.154  -1.100 -12.484
  721    HA   SER  32           HA       SER  32   1.646  -2.657 -12.721
  722   1HB   SER  32          1HB       SER  32   3.780  -3.788 -12.285
  723   2HB   SER  32          2HB       SER  32   4.046  -2.779 -10.865
  724    HG   SER  32           HG       SER  32   3.134  -4.888 -10.427
  725    H    VAL  33           H        VAL  33   0.506  -3.039 -10.507
  726    HA   VAL  33           HA       VAL  33  -0.219  -0.421  -9.406
  727    HB   VAL  33           HB       VAL  33  -1.141  -3.286  -9.048
  728   1HG1  VAL  33          1HG1      VAL  33  -1.619  -0.989  -7.379
  729   2HG1  VAL  33          2HG1      VAL  33  -2.226  -2.633  -7.196
  730   3HG1  VAL  33          3HG1      VAL  33  -3.120  -1.468  -8.172
  731   1HG2  VAL  33          1HG2      VAL  33  -2.736  -2.798 -10.636
  732   2HG2  VAL  33          2HG2      VAL  33  -1.481  -1.678 -11.174
  733   3HG2  VAL  33          3HG2      VAL  33  -2.818  -1.095 -10.181
  734    H    ASN  34           H        ASN  34   1.766  -3.156  -8.519
  735    HA   ASN  34           HA       ASN  34   1.808  -2.808  -5.664
  736   1HB   ASN  34          1HB       ASN  34   3.220  -4.240  -7.786
  737   2HB   ASN  34          2HB       ASN  34   4.318  -3.731  -6.505
  738   1HD2  ASN  34          1HD2      ASN  34   4.305  -4.959  -4.598
  739   2HD2  ASN  34          2HD2      ASN  34   3.146  -6.140  -4.228
  740    H    SER  35           H        SER  35   3.392  -1.164  -8.327
  741    HA   SER  35           HA       SER  35   5.229   0.300  -6.529
  742   1HB   SER  35          1HB       SER  35   4.766  -0.041  -9.470
  743   2HB   SER  35          2HB       SER  35   5.616   1.403  -8.930
  744    HG   SER  35           HG       SER  35   7.295   0.199  -8.604
  745    H    GLU  36           H        GLU  36   2.252   0.840  -8.402
  746    HA   GLU  36           HA       GLU  36   2.121   3.671  -8.217
  747   1HB   GLU  36          1HB       GLU  36   0.733   1.809  -9.457
  748   2HB   GLU  36          2HB       GLU  36  -0.257   1.840  -7.997
  749   1HG   GLU  36          1HG       GLU  36  -1.145   3.374  -9.689
  750   2HG   GLU  36          2HG       GLU  36  -0.587   4.255  -8.269
  751    H    ILE  37           H        ILE  37   1.140   1.096  -5.983
  752    HA   ILE  37           HA       ILE  37  -0.039   2.909  -4.018
  753    HB   ILE  37           HB       ILE  37   0.827  -0.002  -4.055
  754   1HG1  ILE  37          1HG1      ILE  37  -1.109   0.760  -5.499
  755   2HG1  ILE  37          2HG1      ILE  37  -1.523  -0.472  -4.311
  756   1HG2  ILE  37          1HG2      ILE  37   0.806   0.208  -1.781
  757   2HG2  ILE  37          2HG2      ILE  37  -0.945   0.144  -1.999
  758   3HG2  ILE  37          3HG2      ILE  37  -0.134   1.702  -1.827
  759   1HD1  ILE  37          1HD1      ILE  37  -1.941   2.508  -3.917
  760   2HD1  ILE  37          2HD1      ILE  37  -2.436   1.227  -2.808
  761   3HD1  ILE  37          3HD1      ILE  37  -3.201   1.370  -4.391
  762    H    TYR  38           H        TYR  38   3.141   1.611  -4.715
  763    HA   TYR  38           HA       TYR  38   4.303   2.114  -2.103
  764   1HB   TYR  38          1HB       TYR  38   5.174   0.447  -3.648
  765   2HB   TYR  38          2HB       TYR  38   5.401   1.669  -4.896
  766    HD1  TYR  38           HD1      TYR  38   7.620   2.237  -5.232
  767    HD2  TYR  38           HD2      TYR  38   6.245   1.386  -1.240
  768    HE1  TYR  38           HE1      TYR  38   9.901   2.732  -4.346
  769    HE2  TYR  38           HE2      TYR  38   8.521   1.878  -0.344
  770    HH   TYR  38           HH       TYR  38  11.081   3.163  -2.430
  771    H    GLN  39           H        GLN  39   3.768   4.003  -5.019
  772    HA   GLN  39           HA       GLN  39   5.648   6.133  -4.274
  773   1HB   GLN  39          1HB       GLN  39   3.505   5.758  -6.389
  774   2HB   GLN  39          2HB       GLN  39   4.486   7.220  -6.273
  775   1HG   GLN  39          1HG       GLN  39   5.639   4.428  -6.530
  776   2HG   GLN  39          2HG       GLN  39   5.391   5.521  -7.894
  777   1HE2  GLN  39          1HE2      GLN  39   7.629   4.630  -5.476
  778   2HE2  GLN  39          2HE2      GLN  39   8.664   5.968  -5.607
  779    H    ARG  40           H        ARG  40   2.090   5.788  -4.491
  780    HA   ARG  40           HA       ARG  40   1.391   8.335  -3.430
  781   1HB   ARG  40          1HB       ARG  40   0.076   5.599  -3.316
  782   2HB   ARG  40          2HB       ARG  40  -0.750   7.095  -2.885
  783   1HG   ARG  40          1HG       ARG  40   0.131   7.881  -5.258
  784   2HG   ARG  40          2HG       ARG  40   0.172   6.145  -5.571
  785   1HD   ARG  40          1HD       ARG  40  -2.245   6.105  -4.648
  786   2HD   ARG  40          2HD       ARG  40  -2.215   7.865  -4.877
  787    HE   ARG  40           HE       ARG  40  -2.112   5.846  -7.024
  788   1HH1  ARG  40          1HH1      ARG  40  -3.623   8.570  -6.762
  789   2HH1  ARG  40          2HH1      ARG  40  -2.830   9.467  -8.014
  790   1HH2  ARG  40          1HH2      ARG  40  -0.203   7.225  -8.321
  791   2HH2  ARG  40          2HH2      ARG  40  -0.893   8.705  -8.896
  792    H    VAL  41           H        VAL  41   2.448   5.362  -1.916
  793    HA   VAL  41           HA       VAL  41   1.765   6.191   0.817
  794    HB   VAL  41           HB       VAL  41   3.260   3.916  -0.513
  795   1HG1  VAL  41          1HG1      VAL  41   4.144   4.494   1.836
  796   2HG1  VAL  41          2HG1      VAL  41   3.577   2.844   1.579
  797   3HG1  VAL  41          3HG1      VAL  41   2.553   4.007   2.424
  798   1HG2  VAL  41          1HG2      VAL  41   0.742   3.810   1.140
  799   2HG2  VAL  41          2HG2      VAL  41   1.313   2.658  -0.063
  800   3HG2  VAL  41          3HG2      VAL  41   0.695   4.228  -0.571
  801    H    MET  42           H        MET  42   4.508   6.320  -1.358
  802    HA   MET  42           HA       MET  42   6.516   6.916   0.665
  803   1HB   MET  42          1HB       MET  42   6.281   6.407  -2.158
  804   2HB   MET  42          2HB       MET  42   7.239   7.863  -1.919
  805   1HG   MET  42          1HG       MET  42   8.658   6.629  -0.287
  806   2HG   MET  42          2HG       MET  42   7.730   5.167  -0.624
  807   1HE   MET  42          1HE       MET  42  10.924   7.030  -1.514
  808   2HE   MET  42          2HE       MET  42   9.624   8.082  -2.071
  809   3HE   MET  42          3HE       MET  42  10.737   7.376  -3.239
  810    H    GLU  43           H        GLU  43   4.173   8.776  -1.151
  811    HA   GLU  43           HA       GLU  43   5.499  11.357  -0.827
  812   1HB   GLU  43          1HB       GLU  43   3.004  10.211  -1.931
  813   2HB   GLU  43          2HB       GLU  43   2.860  11.868  -1.348
  814   1HG   GLU  43          1HG       GLU  43   5.193  12.078  -2.688
  815   2HG   GLU  43          2HG       GLU  43   4.429  10.799  -3.632
  816    H    SER  44           H        SER  44   3.031   9.516   0.926
  817    HA   SER  44           HA       SER  44   2.042  11.541   2.646
  818   1HB   SER  44          1HB       SER  44   1.446   9.601   4.067
  819   2HB   SER  44          2HB       SER  44   1.126   9.264   2.368
  820    HG   SER  44           HG       SER  44   2.332   7.578   2.768
  821    H    PHE  45           H        PHE  45   4.893   9.429   2.983
  822    HA   PHE  45           HA       PHE  45   5.641  10.444   5.599
  823   1HB   PHE  45          1HB       PHE  45   7.084   8.905   3.419
  824   2HB   PHE  45          2HB       PHE  45   7.729   9.157   5.041
  825    HD1  PHE  45           HD1      PHE  45   6.488   6.625   3.264
  826    HD2  PHE  45           HD2      PHE  45   5.379   8.891   6.767
  827    HE1  PHE  45           HE1      PHE  45   5.179   4.681   4.106
  828    HE2  PHE  45           HE2      PHE  45   4.070   6.945   7.610
  829    HZ   PHE  45           HZ       PHE  45   3.973   4.840   6.282
  830    H    LYS  46           H        LYS  46   6.556  11.211   2.251
  831    HA   LYS  46           HA       LYS  46   8.811  12.855   2.741
  832   1HB   LYS  46          1HB       LYS  46   7.436  11.977   0.589
  833   2HB   LYS  46          2HB       LYS  46   6.850  13.640   0.641
  834   1HG   LYS  46          1HG       LYS  46   9.167  14.471   0.641
  835   2HG   LYS  46          2HG       LYS  46   9.768  12.813   0.622
  836   1HD   LYS  46          1HD       LYS  46   7.814  13.565  -1.497
  837   2HD   LYS  46          2HD       LYS  46   9.443  14.227  -1.635
  838   1HE   LYS  46          1HE       LYS  46   9.795  11.513  -0.935
  839   2HE   LYS  46          2HE       LYS  46   8.549  11.535  -2.198
  840   1HZ   LYS  46          1HZ       LYS  46  11.246  12.764  -2.282
  841   2HZ   LYS  46          2HZ       LYS  46  10.017  13.186  -3.377
  842   3HZ   LYS  46          3HZ       LYS  46  10.603  11.592  -3.329
  843    H    LYS  47           H        LYS  47   5.350  13.762   2.567
  844    HA   LYS  47           HA       LYS  47   5.688  16.556   3.023
  845   1HB   LYS  47          1HB       LYS  47   3.524  14.505   3.357
  846   2HB   LYS  47          2HB       LYS  47   3.255  16.129   3.990
  847   1HG   LYS  47          1HG       LYS  47   4.350  16.553   1.454
  848   2HG   LYS  47          2HG       LYS  47   3.234  15.206   1.229
  849   1HD   LYS  47          1HD       LYS  47   1.468  16.529   2.401
  850   2HD   LYS  47          2HD       LYS  47   2.585  17.893   2.473
  851   1HE   LYS  47          1HE       LYS  47   2.622  17.030  -0.220
  852   2HE   LYS  47          2HE       LYS  47   0.915  17.062   0.263
  853   1HZ   LYS  47          1HZ       LYS  47   2.881  19.240   0.738
  854   2HZ   LYS  47          2HZ       LYS  47   1.247  19.259   1.201
  855   3HZ   LYS  47          3HZ       LYS  47   1.667  19.258  -0.445
  856    H    GLU  48           H        GLU  48   5.473  13.819   5.266
  857    HA   GLU  48           HA       GLU  48   5.345  15.530   7.645
  858   1HB   GLU  48          1HB       GLU  48   5.190  12.695   6.890
  859   2HB   GLU  48          2HB       GLU  48   6.012  12.961   8.428
  860   1HG   GLU  48          1HG       GLU  48   3.993  14.576   8.907
  861   2HG   GLU  48          2HG       GLU  48   3.188  13.630   7.654
  862    H    GLY  49           H        GLY  49   7.854  14.324   5.605
  863   1HA   GLY  49          1HA       GLY  49  10.175  14.723   5.757
  864   2HA   GLY  49          2HA       GLY  49   9.894  15.529   7.301
  865    H    ARG  50           H        ARG  50   8.601  12.335   6.831
  866    HA   ARG  50           HA       ARG  50  10.050  11.285   9.105
  867   1HB   ARG  50          1HB       ARG  50   8.469   9.915   6.903
  868   2HB   ARG  50          2HB       ARG  50   8.862   9.217   8.475
  869   1HG   ARG  50          1HG       ARG  50   7.611  11.840   8.729
  870   2HG   ARG  50          2HG       ARG  50   6.580  10.696   7.871
  871   1HD   ARG  50          1HD       ARG  50   6.046   9.743   9.854
  872   2HD   ARG  50          2HD       ARG  50   7.751   9.303  10.077
  873    HE   ARG  50           HE       ARG  50   7.982  11.776  10.886
  874   1HH1  ARG  50          1HH1      ARG  50   6.004   9.335  12.037
  875   2HH1  ARG  50          2HH1      ARG  50   5.056  10.346  13.076
  876   1HH2  ARG  50          1HH2      ARG  50   6.402  13.305  11.867
  877   2HH2  ARG  50          2HH2      ARG  50   5.279  12.594  12.978
  878    H    ILE  51           H        ILE  51  10.475  11.096   5.594
  879    HA   ILE  51           HA       ILE  51  12.649   9.117   5.800
  880    HB   ILE  51           HB       ILE  51  11.741  10.800   3.443
  881   1HG1  ILE  51          1HG1      ILE  51  10.731   8.048   4.231
  882   2HG1  ILE  51          2HG1      ILE  51   9.855   9.537   4.585
  883   1HG2  ILE  51          1HG2      ILE  51  13.631   9.722   2.684
  884   2HG2  ILE  51          2HG2      ILE  51  12.454   8.441   2.395
  885   3HG2  ILE  51          3HG2      ILE  51  13.467   8.398   3.838
  886   1HD1  ILE  51          1HD1      ILE  51   9.425   8.140   2.336
  887   2HD1  ILE  51          2HD1      ILE  51  10.764   9.141   1.775
  888   3HD1  ILE  51          3HD1      ILE  51   9.294   9.898   2.386
  889    H    GLY  52           H        GLY  52  14.761   9.768   4.558
  890   1HA   GLY  52          1HA       GLY  52  15.551  12.512   5.447
  891   2HA   GLY  52          2HA       GLY  52  16.654  11.136   5.450
  892    H    ALA  53           H        ALA  53  15.865  10.068   2.896
  893    HA   ALA  53           HA       ALA  53  16.746  12.261   1.047
  894   1HB   ALA  53          1HB       ALA  53  17.909   9.631   1.742
  895   2HB   ALA  53          2HB       ALA  53  18.699  11.073   1.105
  896   3HB   ALA  53          3HB       ALA  53  17.850   9.979   0.013
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -3.700 -13.366  21.512
    2   2H    MET   1          2H        MET   1  -3.460 -11.986  20.551
    3   3H    MET   1          3H        MET   1  -2.231 -12.525  21.594
    4    HA   MET   1           HA       MET   1  -2.296 -14.688  20.227
    5   1HB   MET   1          1HB       MET   1  -4.027 -12.713  18.782
    6   2HB   MET   1          2HB       MET   1  -3.059 -13.832  17.823
    7   1HG   MET   1          1HG       MET   1  -4.056 -15.743  18.946
    8   2HG   MET   1          2HG       MET   1  -4.924 -14.682  20.056
    9   1HE   MET   1          1HE       MET   1  -5.177 -16.937  17.709
   10   2HE   MET   1          2HE       MET   1  -4.916 -16.069  16.198
   11   3HE   MET   1          3HE       MET   1  -6.537 -16.608  16.628
   12    H    LYS   2           H        LYS   2  -2.042 -11.428  18.743
   13    HA   LYS   2           HA       LYS   2  -0.174 -10.341  17.783
   14   1HB   LYS   2          1HB       LYS   2   0.741 -11.785  20.239
   15   2HB   LYS   2          2HB       LYS   2   1.973 -11.052  19.211
   16   1HG   LYS   2          1HG       LYS   2  -0.422  -9.398  19.864
   17   2HG   LYS   2          2HG       LYS   2   0.749  -9.668  21.154
   18   1HD   LYS   2          1HD       LYS   2   2.556  -8.926  19.555
   19   2HD   LYS   2          2HD       LYS   2   1.282  -8.464  18.427
   20   1HE   LYS   2          1HE       LYS   2   0.487  -6.742  19.831
   21   2HE   LYS   2          2HE       LYS   2   1.268  -7.432  21.267
   22   1HZ   LYS   2          1HZ       LYS   2   2.697  -6.383  18.882
   23   2HZ   LYS   2          2HZ       LYS   2   3.420  -7.012  20.286
   24   3HZ   LYS   2          3HZ       LYS   2   2.539  -5.560  20.357
   25    H    GLY   3           H        GLY   3  -0.132 -11.393  15.727
   26   1HA   GLY   3          1HA       GLY   3   1.081 -14.008  15.369
   27   2HA   GLY   3          2HA       GLY   3   0.630 -12.894  14.077
   28    H    MET   4           H        MET   4   2.158 -10.657  14.775
   29    HA   MET   4           HA       MET   4   4.336  -9.795  14.449
   30   1HB   MET   4          1HB       MET   4   4.280 -11.426  16.639
   31   2HB   MET   4          2HB       MET   4   5.552 -12.196  15.690
   32   1HG   MET   4          1HG       MET   4   6.456  -9.763  15.390
   33   2HG   MET   4          2HG       MET   4   5.453  -9.399  16.794
   34   1HE   MET   4          1HE       MET   4   8.828  -9.252  16.566
   35   2HE   MET   4          2HE       MET   4   8.982  -9.510  18.303
   36   3HE   MET   4          3HE       MET   4   7.653  -8.537  17.678
   37    H    SER   5           H        SER   5   3.155 -11.950  12.550
   38    HA   SER   5           HA       SER   5   5.277 -13.581  11.539
   39   1HB   SER   5          1HB       SER   5   2.638 -12.528  10.645
   40   2HB   SER   5          2HB       SER   5   3.700 -13.158   9.390
   41    HG   SER   5           HG       SER   5   2.745 -14.953  10.070
   42    H    LYS   6           H        LYS   6   5.944 -13.129   9.059
   43    HA   LYS   6           HA       LYS   6   7.625 -10.759   9.096
   44   1HB   LYS   6          1HB       LYS   6   6.911 -12.789   6.954
   45   2HB   LYS   6          2HB       LYS   6   8.218 -11.612   6.819
   46   1HG   LYS   6          1HG       LYS   6   9.063 -12.596   9.062
   47   2HG   LYS   6          2HG       LYS   6   7.987 -13.949   8.711
   48   1HD   LYS   6          1HD       LYS   6   9.129 -14.429   6.650
   49   2HD   LYS   6          2HD       LYS   6  10.060 -12.935   6.752
   50   1HE   LYS   6          1HE       LYS   6  11.651 -14.345   7.649
   51   2HE   LYS   6          2HE       LYS   6  10.723 -14.076   9.137
   52   1HZ   LYS   6          1HZ       LYS   6  10.822 -16.406   8.846
   53   2HZ   LYS   6          2HZ       LYS   6  10.435 -16.299   7.195
   54   3HZ   LYS   6          3HZ       LYS   6   9.259 -15.951   8.369
   55    H    MET   7           H        MET   7   7.447  -9.857   6.443
   56    HA   MET   7           HA       MET   7   5.004  -8.199   6.595
   57   1HB   MET   7          1HB       MET   7   6.173  -6.927   4.838
   58   2HB   MET   7          2HB       MET   7   7.273  -7.271   6.172
   59   1HG   MET   7          1HG       MET   7   7.456  -9.487   4.433
   60   2HG   MET   7          2HG       MET   7   7.479  -8.060   3.397
   61   1HE   MET   7          1HE       MET   7   9.811  -7.082   2.757
   62   2HE   MET   7          2HE       MET   7  10.532  -6.171   4.082
   63   3HE   MET   7          3HE       MET   7   8.801  -6.052   3.782
   64    HA   PRO   8           HA       PRO   8   2.787 -10.342   3.459
   65   1HB   PRO   8          1HB       PRO   8   1.651  -8.302   2.028
   66   2HB   PRO   8          2HB       PRO   8   1.107  -8.771   3.652
   67   1HG   PRO   8          1HG       PRO   8   2.850  -6.509   2.819
   68   2HG   PRO   8          2HG       PRO   8   1.605  -6.574   4.074
   69   1HD   PRO   8          1HD       PRO   8   4.273  -6.703   4.597
   70   2HD   PRO   8          2HD       PRO   8   3.029  -7.431   5.635
   71    H    GLN   9           H        GLN   9   3.034 -11.066   1.299
   72    HA   GLN   9           HA       GLN   9   5.522 -10.598  -0.009
   73   1HB   GLN   9          1HB       GLN   9   2.953 -11.990  -0.499
   74   2HB   GLN   9          2HB       GLN   9   3.897 -11.624  -1.944
   75   1HG   GLN   9          1HG       GLN   9   5.093 -13.482  -1.470
   76   2HG   GLN   9          2HG       GLN   9   5.800 -12.556  -0.147
   77   1HE2  GLN   9          1HE2      GLN   9   4.764 -12.784   2.023
   78   2HE2  GLN   9          2HE2      GLN   9   3.864 -14.179   2.381
   79    H    PHE  10           H        PHE  10   2.538  -8.811  -0.119
   80    HA   PHE  10           HA       PHE  10   2.842  -7.631  -2.737
   81   1HB   PHE  10          1HB       PHE  10   0.741  -7.712  -1.438
   82   2HB   PHE  10          2HB       PHE  10   1.455  -6.655  -0.217
   83    HD1  PHE  10           HD1      PHE  10   1.555  -4.286  -0.523
   84    HD2  PHE  10           HD2      PHE  10   0.453  -6.858  -3.811
   85    HE1  PHE  10           HE1      PHE  10   0.901  -2.289  -1.865
   86    HE2  PHE  10           HE2      PHE  10  -0.196  -4.859  -5.153
   87    HZ   PHE  10           HZ       PHE  10   0.027  -2.577  -4.183
   88    H    LEU  11           H        LEU  11   4.073  -6.816   0.477
   89    HA   LEU  11           HA       LEU  11   5.198  -4.250  -0.488
   90   1HB   LEU  11          1HB       LEU  11   5.232  -5.706   2.176
   91   2HB   LEU  11          2HB       LEU  11   5.850  -4.074   1.918
   92    HG   LEU  11           HG       LEU  11   2.998  -4.938   1.361
   93   1HD1  LEU  11          1HD1      LEU  11   4.126  -4.622   3.839
   94   2HD1  LEU  11          2HD1      LEU  11   2.424  -4.332   3.478
   95   3HD1  LEU  11          3HD1      LEU  11   3.562  -2.985   3.500
   96   1HD2  LEU  11          1HD2      LEU  11   2.876  -2.280   1.526
   97   2HD2  LEU  11          2HD2      LEU  11   3.303  -3.077   0.011
   98   3HD2  LEU  11          3HD2      LEU  11   4.567  -2.407   1.044
   99    H    ASN  12           H        ASN  12   6.149  -7.142  -1.261
  100    HA   ASN  12           HA       ASN  12   8.811  -7.423  -0.154
  101   1HB   ASN  12          1HB       ASN  12   7.089  -9.017  -1.460
  102   2HB   ASN  12          2HB       ASN  12   8.066  -8.505  -2.837
  103   1HD2  ASN  12          1HD2      ASN  12   7.964 -10.652  -0.147
  104   2HD2  ASN  12          2HD2      ASN  12   9.567 -11.201  -0.241
  105    H    ARG  13           H        ARG  13   7.443  -5.614  -2.828
  106    HA   ARG  13           HA       ARG  13  10.035  -5.132  -4.123
  107   1HB   ARG  13          1HB       ARG  13   7.293  -5.010  -4.764
  108   2HB   ARG  13          2HB       ARG  13   7.872  -3.347  -4.861
  109   1HG   ARG  13          1HG       ARG  13   8.292  -4.216  -7.017
  110   2HG   ARG  13          2HG       ARG  13   9.854  -4.324  -6.206
  111   1HD   ARG  13          1HD       ARG  13   9.869  -6.585  -6.389
  112   2HD   ARG  13          2HD       ARG  13   8.228  -6.703  -5.721
  113    HE   ARG  13           HE       ARG  13   7.954  -5.632  -8.314
  114   1HH1  ARG  13          1HH1      ARG  13  10.214  -7.963  -7.950
  115   2HH1  ARG  13          2HH1      ARG  13   9.360  -9.228  -8.768
  116   1HH2  ARG  13          1HH2      ARG  13   6.361  -7.491  -8.879
  117   2HH2  ARG  13          2HH2      ARG  13   7.177  -8.962  -9.296
  118    H    TRP  14           H        TRP  14   8.229  -3.733  -1.550
  119    HA   TRP  14           HA       TRP  14   9.145  -0.996  -1.775
  120   1HB   TRP  14          1HB       TRP  14   7.977  -2.752   0.386
  121   2HB   TRP  14          2HB       TRP  14   8.356  -1.055   0.654
  122    HD1  TRP  14           HD1      TRP  14   6.970  -2.288  -2.710
  123    HE1  TRP  14           HE1      TRP  14   4.632  -1.260  -3.050
  124    HE3  TRP  14           HE3      TRP  14   6.350  -0.104   1.836
  125    HZ2  TRP  14           HZ2      TRP  14   2.717   0.299  -1.563
  126    HZ3  TRP  14           HZ3      TRP  14   4.253   1.151   2.383
  127    HH2  TRP  14           HH2      TRP  14   2.444   1.350   0.684
  128    HA   PRO  15           HA       PRO  15  13.219  -1.667  -0.192
  129   1HB   PRO  15          1HB       PRO  15  13.794   0.860   0.669
  130   2HB   PRO  15          2HB       PRO  15  13.788   0.391  -1.040
  131   1HG   PRO  15          1HG       PRO  15  11.743   1.863   0.526
  132   2HG   PRO  15          2HG       PRO  15  12.241   2.073  -1.158
  133   1HD   PRO  15          1HD       PRO  15   9.951   0.775  -0.374
  134   2HD   PRO  15          2HD       PRO  15  10.787   0.485  -1.915
  135    H    ARG  16           H        ARG  16  14.460  -1.440   1.849
  136    HA   ARG  16           HA       ARG  16  12.964  -2.246   4.151
  137   1HB   ARG  16          1HB       ARG  16  15.625  -2.085   3.199
  138   2HB   ARG  16          2HB       ARG  16  15.593  -1.178   4.705
  139   1HG   ARG  16          1HG       ARG  16  14.077  -3.344   5.342
  140   2HG   ARG  16          2HG       ARG  16  15.245  -4.047   4.227
  141   1HD   ARG  16          1HD       ARG  16  16.890  -3.937   5.792
  142   2HD   ARG  16          2HD       ARG  16  16.545  -2.223   6.095
  143    HE   ARG  16           HE       ARG  16  14.473  -3.251   7.389
  144   1HH1  ARG  16          1HH1      ARG  16  17.733  -3.369   8.011
  145   2HH1  ARG  16          2HH1      ARG  16  17.662  -4.659   9.165
  146   1HH2  ARG  16          1HH2      ARG  16  14.341  -5.410   8.517
  147   2HH2  ARG  16          2HH2      ARG  16  15.743  -5.814   9.451
  148    H    GLU  17           H        GLU  17  14.428   0.773   3.148
  149    HA   GLU  17           HA       GLU  17  14.157   2.273   5.539
  150   1HB   GLU  17          1HB       GLU  17  14.245   2.915   2.596
  151   2HB   GLU  17          2HB       GLU  17  14.129   4.200   3.799
  152   1HG   GLU  17          1HG       GLU  17  16.195   3.555   4.822
  153   2HG   GLU  17          2HG       GLU  17  16.248   2.043   3.915
  154    H    VAL  18           H        VAL  18  11.774   1.680   2.954
  155    HA   VAL  18           HA       VAL  18   9.862   3.601   4.087
  156    HB   VAL  18           HB       VAL  18   9.707   1.485   1.912
  157   1HG1  VAL  18          1HG1      VAL  18   7.705   3.435   2.998
  158   2HG1  VAL  18          2HG1      VAL  18   7.457   1.791   2.407
  159   3HG1  VAL  18          3HG1      VAL  18   7.714   3.110   1.264
  160   1HG2  VAL  18          1HG2      VAL  18   9.633   4.438   1.441
  161   2HG2  VAL  18          2HG2      VAL  18  10.289   3.159   0.421
  162   3HG2  VAL  18          3HG2      VAL  18  11.188   3.705   1.837
  163    H    LEU  19           H        LEU  19  10.088   0.035   3.876
  164    HA   LEU  19           HA       LEU  19   7.633  -0.524   5.229
  165   1HB   LEU  19          1HB       LEU  19  10.234  -2.052   4.930
  166   2HB   LEU  19          2HB       LEU  19   8.730  -2.769   5.512
  167    HG   LEU  19           HG       LEU  19   8.891  -1.301   2.876
  168   1HD1  LEU  19          1HD1      LEU  19   8.877  -3.754   1.979
  169   2HD1  LEU  19          2HD1      LEU  19   9.556  -4.157   3.555
  170   3HD1  LEU  19          3HD1      LEU  19  10.410  -3.047   2.486
  171   1HD2  LEU  19          1HD2      LEU  19   6.718  -1.984   4.271
  172   2HD2  LEU  19          2HD2      LEU  19   7.020  -3.547   3.511
  173   3HD2  LEU  19          3HD2      LEU  19   6.757  -2.118   2.512
  174    H    ASP  20           H        ASP  20  10.820   0.304   6.413
  175    HA   ASP  20           HA       ASP  20  10.480  -0.619   9.129
  176   1HB   ASP  20          1HB       ASP  20  12.636  -0.095   7.975
  177   2HB   ASP  20          2HB       ASP  20  12.191   1.613   7.979
  178    H    LEU  21           H        LEU  21   9.409   2.186   7.363
  179    HA   LEU  21           HA       LEU  21   8.785   3.756   9.785
  180   1HB   LEU  21          1HB       LEU  21   9.656   4.805   7.739
  181   2HB   LEU  21          2HB       LEU  21   8.312   4.145   6.810
  182    HG   LEU  21           HG       LEU  21   6.903   5.419   8.707
  183   1HD1  LEU  21          1HD1      LEU  21   9.356   6.175   9.506
  184   2HD1  LEU  21          2HD1      LEU  21   7.946   7.223   9.672
  185   3HD1  LEU  21          3HD1      LEU  21   9.053   7.438   8.314
  186   1HD2  LEU  21          1HD2      LEU  21   8.105   6.411   6.131
  187   2HD2  LEU  21          2HD2      LEU  21   7.035   7.450   7.076
  188   3HD2  LEU  21          3HD2      LEU  21   6.446   5.908   6.456
  189    H    VAL  22           H        VAL  22   7.063   2.058   7.164
  190    HA   VAL  22           HA       VAL  22   4.402   2.687   7.757
  191    HB   VAL  22           HB       VAL  22   5.592   0.017   6.941
  192   1HG1  VAL  22          1HG1      VAL  22   2.872   1.243   6.398
  193   2HG1  VAL  22          2HG1      VAL  22   3.192  -0.065   7.535
  194   3HG1  VAL  22          3HG1      VAL  22   3.438  -0.319   5.807
  195   1HG2  VAL  22          1HG2      VAL  22   6.319   1.106   5.105
  196   2HG2  VAL  22          2HG2      VAL  22   5.568   2.608   5.648
  197   3HG2  VAL  22          3HG2      VAL  22   4.633   1.447   4.707
  198    H    ARG  23           H        ARG  23   6.370   0.052   9.159
  199    HA   ARG  23           HA       ARG  23   4.427  -1.154  10.805
  200   1HB   ARG  23          1HB       ARG  23   7.351  -0.665  11.455
  201   2HB   ARG  23          2HB       ARG  23   6.350  -1.990  12.046
  202   1HG   ARG  23          1HG       ARG  23   6.184  -1.964   9.190
  203   2HG   ARG  23          2HG       ARG  23   7.887  -1.882   9.639
  204   1HD   ARG  23          1HD       ARG  23   5.874  -3.965  10.566
  205   2HD   ARG  23          2HD       ARG  23   7.271  -4.230   9.503
  206    HE   ARG  23           HE       ARG  23   8.461  -3.115  11.688
  207   1HH1  ARG  23          1HH1      ARG  23   8.801  -6.017  11.257
  208   2HH1  ARG  23          2HH1      ARG  23   8.113  -6.706  12.690
  209   1HH2  ARG  23          1HH2      ARG  23   6.407  -3.820  13.577
  210   2HH2  ARG  23          2HH2      ARG  23   6.758  -5.462  14.004
  211    H    LYS  24           H        LYS  24   6.800   1.323  11.875
  212    HA   LYS  24           HA       LYS  24   5.782   1.761  14.459
  213   1HB   LYS  24          1HB       LYS  24   7.502   3.065  12.490
  214   2HB   LYS  24          2HB       LYS  24   6.687   4.234  13.532
  215   1HG   LYS  24          1HG       LYS  24   8.111   1.801  14.628
  216   2HG   LYS  24          2HG       LYS  24   8.923   3.349  14.394
  217   1HD   LYS  24          1HD       LYS  24   7.619   4.428  16.013
  218   2HD   LYS  24          2HD       LYS  24   6.329   3.228  15.914
  219   1HE   LYS  24          1HE       LYS  24   8.295   1.599  16.741
  220   2HE   LYS  24          2HE       LYS  24   8.898   3.117  17.435
  221   1HZ   LYS  24          1HZ       LYS  24   6.969   3.438  18.645
  222   2HZ   LYS  24          2HZ       LYS  24   7.175   1.757  18.765
  223   3HZ   LYS  24          3HZ       LYS  24   6.046   2.402  17.671
  224    H    VAL  25           H        VAL  25   4.450   2.777  11.392
  225    HA   VAL  25           HA       VAL  25   2.763   4.887  12.533
  226    HB   VAL  25           HB       VAL  25   2.803   3.471   9.848
  227   1HG1  VAL  25          1HG1      VAL  25   0.720   4.875  10.698
  228   2HG1  VAL  25          2HG1      VAL  25   1.318   5.064   9.049
  229   3HG1  VAL  25          3HG1      VAL  25   1.755   6.244  10.286
  230   1HG2  VAL  25          1HG2      VAL  25   4.409   4.969   9.169
  231   2HG2  VAL  25          2HG2      VAL  25   4.812   4.943  10.887
  232   3HG2  VAL  25          3HG2      VAL  25   3.817   6.245  10.233
  233    H    ALA  26           H        ALA  26   2.305   1.516  11.454
  234    HA   ALA  26           HA       ALA  26  -0.551   1.460  11.734
  235   1HB   ALA  26          1HB       ALA  26  -0.115  -1.016  11.770
  236   2HB   ALA  26          2HB       ALA  26   1.608  -0.665  11.907
  237   3HB   ALA  26          3HB       ALA  26   0.722  -0.181  10.462
  238    H    GLU  27           H        GLU  27   2.108   0.958  14.010
  239    HA   GLU  27           HA       GLU  27   0.340   0.004  16.148
  240   1HB   GLU  27          1HB       GLU  27   3.250   0.860  16.039
  241   2HB   GLU  27          2HB       GLU  27   2.486   0.080  17.426
  242   1HG   GLU  27          1HG       GLU  27   2.176  -1.255  14.779
  243   2HG   GLU  27          2HG       GLU  27   3.767  -1.331  15.536
  244    H    GLU  28           H        GLU  28   1.166   3.069  14.873
  245    HA   GLU  28           HA       GLU  28   0.957   4.502  17.449
  246   1HB   GLU  28          1HB       GLU  28   1.489   5.153  14.561
  247   2HB   GLU  28          2HB       GLU  28   1.066   6.450  15.679
  248   1HG   GLU  28          1HG       GLU  28   3.272   4.456  16.239
  249   2HG   GLU  28          2HG       GLU  28   3.558   6.000  15.437
  250    H    ASN  29           H        ASN  29  -0.839   4.487  14.341
  251    HA   ASN  29           HA       ASN  29  -3.043   6.065  15.257
  252   1HB   ASN  29          1HB       ASN  29  -2.383   4.215  13.011
  253   2HB   ASN  29          2HB       ASN  29  -4.091   4.584  13.262
  254   1HD2  ASN  29          1HD2      ASN  29  -0.906   6.176  12.784
  255   2HD2  ASN  29          2HD2      ASN  29  -1.545   7.589  12.095
  256    H    GLY  30           H        GLY  30  -2.371   2.595  15.412
  257   1HA   GLY  30          1HA       GLY  30  -3.363   1.272  17.234
  258   2HA   GLY  30          2HA       GLY  30  -4.802   2.288  17.117
  259    H    ARG  31           H        ARG  31  -3.123   1.054  14.291
  260    HA   ARG  31           HA       ARG  31  -5.362  -0.890  13.838
  261   1HB   ARG  31          1HB       ARG  31  -4.131   0.997  11.803
  262   2HB   ARG  31          2HB       ARG  31  -5.522  -0.059  11.554
  263   1HG   ARG  31          1HG       ARG  31  -6.683   1.203  13.423
  264   2HG   ARG  31          2HG       ARG  31  -5.348   2.358  13.371
  265   1HD   ARG  31          1HD       ARG  31  -5.864   2.491  10.813
  266   2HD   ARG  31          2HD       ARG  31  -7.435   1.795  11.265
  267    HE   ARG  31           HE       ARG  31  -6.630   4.013  12.984
  268   1HH1  ARG  31          1HH1      ARG  31  -9.469   3.427  12.337
  269   2HH1  ARG  31          2HH1      ARG  31  -9.866   4.682  11.210
  270   1HH2  ARG  31          1HH2      ARG  31  -6.562   5.488  10.537
  271   2HH2  ARG  31          2HH2      ARG  31  -8.220   5.848  10.193
  272    H    SER  32           H        SER  32  -4.364  -1.598  11.237
  273    HA   SER  32           HA       SER  32  -1.897  -3.096  12.021
  274   1HB   SER  32          1HB       SER  32  -4.228  -3.569  10.166
  275   2HB   SER  32          2HB       SER  32  -2.732  -4.477   9.963
  276    HG   SER  32           HG       SER  32  -4.281  -5.494  11.363
  277    H    VAL  33           H        VAL  33  -0.528  -3.604   9.922
  278    HA   VAL  33           HA       VAL  33   0.302  -1.061   8.795
  279    HB   VAL  33           HB       VAL  33   1.054  -3.956   8.296
  280   1HG1  VAL  33          1HG1      VAL  33   1.708  -1.663   6.799
  281   2HG1  VAL  33          2HG1      VAL  33   2.485  -3.244   6.717
  282   3HG1  VAL  33          3HG1      VAL  33   3.122  -2.000   7.795
  283   1HG2  VAL  33          1HG2      VAL  33   2.707  -3.651   9.949
  284   2HG2  VAL  33          2HG2      VAL  33   1.306  -2.815  10.624
  285   3HG2  VAL  33          3HG2      VAL  33   2.601  -1.892   9.859
  286    H    ASN  34           H        ASN  34  -1.806  -3.661   7.804
  287    HA   ASN  34           HA       ASN  34  -1.788  -3.000   4.946
  288   1HB   ASN  34          1HB       ASN  34  -2.345  -5.225   6.137
  289   2HB   ASN  34          2HB       ASN  34  -3.894  -4.486   6.545
  290   1HD2  ASN  34          1HD2      ASN  34  -5.460  -5.154   5.080
  291   2HD2  ASN  34          2HD2      ASN  34  -5.216  -5.356   3.413
  292    H    SER  35           H        SER  35  -3.545  -2.022   7.822
  293    HA   SER  35           HA       SER  35  -5.617  -0.590   6.288
  294   1HB   SER  35          1HB       SER  35  -5.035  -1.411   9.057
  295   2HB   SER  35          2HB       SER  35  -5.764   0.188   8.942
  296    HG   SER  35           HG       SER  35  -7.395  -1.340   9.012
  297    H    GLU  36           H        GLU  36  -2.541   0.052   7.880
  298    HA   GLU  36           HA       GLU  36  -2.809   2.927   8.003
  299   1HB   GLU  36          1HB       GLU  36  -1.274   1.319   9.281
  300   2HB   GLU  36          2HB       GLU  36  -0.304   1.237   7.811
  301   1HG   GLU  36          1HG       GLU  36   0.572   2.939   9.335
  302   2HG   GLU  36          2HG       GLU  36  -0.036   3.679   7.857
  303    H    ILE  37           H        ILE  37  -1.338   0.619   5.713
  304    HA   ILE  37           HA       ILE  37  -0.339   2.589   3.860
  305    HB   ILE  37           HB       ILE  37  -1.175  -0.321   3.606
  306   1HG1  ILE  37          1HG1      ILE  37   0.694   0.276   5.210
  307   2HG1  ILE  37          2HG1      ILE  37   1.161  -0.825   3.917
  308   1HG2  ILE  37          1HG2      ILE  37  -0.458   1.574   1.562
  309   2HG2  ILE  37          2HG2      ILE  37  -0.855  -0.136   1.390
  310   3HG2  ILE  37          3HG2      ILE  37   0.812   0.354   1.695
  311   1HD1  ILE  37          1HD1      ILE  37   2.713   1.205   4.449
  312   2HD1  ILE  37          2HD1      ILE  37   1.510   2.147   3.575
  313   3HD1  ILE  37          3HD1      ILE  37   2.358   0.835   2.762
  314    H    TYR  38           H        TYR  38  -3.429   0.990   4.351
  315    HA   TYR  38           HA       TYR  38  -4.702   1.630   1.875
  316   1HB   TYR  38          1HB       TYR  38  -5.503  -0.019   3.505
  317   2HB   TYR  38          2HB       TYR  38  -5.727   1.249   4.709
  318    HD1  TYR  38           HD1      TYR  38  -7.974   1.718   5.062
  319    HD2  TYR  38           HD2      TYR  38  -6.580   0.912   1.067
  320    HE1  TYR  38           HE1      TYR  38 -10.260   2.155   4.182
  321    HE2  TYR  38           HE2      TYR  38  -8.872   1.348   0.174
  322    HH   TYR  38           HH       TYR  38 -10.980   2.886   1.206
  323    H    GLN  39           H        GLN  39  -4.335   3.419   4.924
  324    HA   GLN  39           HA       GLN  39  -6.085   5.615   4.162
  325   1HB   GLN  39          1HB       GLN  39  -3.891   5.291   6.239
  326   2HB   GLN  39          2HB       GLN  39  -5.015   6.649   6.182
  327   1HG   GLN  39          1HG       GLN  39  -6.020   3.809   6.256
  328   2HG   GLN  39          2HG       GLN  39  -5.610   4.670   7.740
  329   1HE2  GLN  39          1HE2      GLN  39  -8.308   3.906   7.216
  330   2HE2  GLN  39          2HE2      GLN  39  -9.224   5.308   6.941
  331    H    ARG  40           H        ARG  40  -2.545   5.117   4.193
  332    HA   ARG  40           HA       ARG  40  -1.786   7.709   3.260
  333   1HB   ARG  40          1HB       ARG  40  -0.484   5.017   2.710
  334   2HB   ARG  40          2HB       ARG  40   0.321   6.586   2.756
  335   1HG   ARG  40          1HG       ARG  40  -1.140   6.179   5.210
  336   2HG   ARG  40          2HG       ARG  40  -0.079   4.800   4.915
  337   1HD   ARG  40          1HD       ARG  40   1.858   6.252   4.715
  338   2HD   ARG  40          2HD       ARG  40   0.832   7.697   4.799
  339    HE   ARG  40           HE       ARG  40   1.248   5.780   7.053
  340   1HH1  ARG  40          1HH1      ARG  40   2.284   8.615   7.115
  341   2HH1  ARG  40          2HH1      ARG  40   1.063   9.415   8.046
  342   1HH2  ARG  40          1HH2      ARG  40  -1.263   6.872   7.669
  343   2HH2  ARG  40          2HH2      ARG  40  -0.946   8.427   8.361
  344    H    VAL  41           H        VAL  41  -3.113   4.912   1.655
  345    HA   VAL  41           HA       VAL  41  -2.486   5.866  -1.066
  346    HB   VAL  41           HB       VAL  41  -3.997   3.542   0.166
  347   1HG1  VAL  41          1HG1      VAL  41  -3.325   2.969  -2.521
  348   2HG1  VAL  41          2HG1      VAL  41  -4.119   4.546  -2.537
  349   3HG1  VAL  41          3HG1      VAL  41  -4.940   3.149  -1.836
  350   1HG2  VAL  41          1HG2      VAL  41  -1.291   4.051  -0.109
  351   2HG2  VAL  41          2HG2      VAL  41  -1.647   3.039  -1.507
  352   3HG2  VAL  41          3HG2      VAL  41  -2.012   2.460   0.118
  353    H    MET  42           H        MET  42  -5.097   5.938   1.253
  354    HA   MET  42           HA       MET  42  -7.213   6.602  -0.638
  355   1HB   MET  42          1HB       MET  42  -6.807   6.009   2.167
  356   2HB   MET  42          2HB       MET  42  -7.847   7.420   1.994
  357   1HG   MET  42          1HG       MET  42  -9.260   6.141   0.389
  358   2HG   MET  42          2HG       MET  42  -8.253   4.723   0.675
  359   1HE   MET  42          1HE       MET  42 -10.530   7.279   1.736
  360   2HE   MET  42          2HE       MET  42 -11.270   6.821   3.270
  361   3HE   MET  42          3HE       MET  42 -11.740   5.987   1.790
  362    H    GLU  43           H        GLU  43  -4.813   8.394   1.195
  363    HA   GLU  43           HA       GLU  43  -6.175  10.981   0.903
  364   1HB   GLU  43          1HB       GLU  43  -3.550   9.948   1.964
  365   2HB   GLU  43          2HB       GLU  43  -3.812  11.682   1.780
  366   1HG   GLU  43          1HG       GLU  43  -6.068  11.173   3.047
  367   2HG   GLU  43          2HG       GLU  43  -5.199   9.740   3.599
  368    H    SER  44           H        SER  44  -3.738   9.123  -0.823
  369    HA   SER  44           HA       SER  44  -2.603  11.272  -2.361
  370   1HB   SER  44          1HB       SER  44  -1.821   9.374  -3.771
  371   2HB   SER  44          2HB       SER  44  -1.573   9.065  -2.055
  372    HG   SER  44           HG       SER  44  -3.517   8.017  -3.810
  373    H    PHE  45           H        PHE  45  -5.187   8.902  -3.159
  374    HA   PHE  45           HA       PHE  45  -5.774   9.932  -5.756
  375   1HB   PHE  45          1HB       PHE  45  -7.324   8.410  -3.650
  376   2HB   PHE  45          2HB       PHE  45  -7.985   8.733  -5.253
  377    HD1  PHE  45           HD1      PHE  45  -6.679   6.152  -3.530
  378    HD2  PHE  45           HD2      PHE  45  -5.762   8.443  -7.073
  379    HE1  PHE  45           HE1      PHE  45  -5.414   4.214  -4.458
  380    HE2  PHE  45           HE2      PHE  45  -4.497   6.506  -8.000
  381    HZ   PHE  45           HZ       PHE  45  -4.325   4.390  -6.693
  382    H    LYS  46           H        LYS  46  -6.603  11.079  -2.562
  383    HA   LYS  46           HA       LYS  46  -8.915  12.658  -3.326
  384   1HB   LYS  46          1HB       LYS  46  -8.429  11.830  -1.042
  385   2HB   LYS  46          2HB       LYS  46  -6.992  12.853  -0.986
  386   1HG   LYS  46          1HG       LYS  46  -8.619  14.152   0.115
  387   2HG   LYS  46          2HG       LYS  46  -8.622  14.801  -1.525
  388   1HD   LYS  46          1HD       LYS  46 -10.850  14.418  -1.492
  389   2HD   LYS  46          2HD       LYS  46 -10.420  12.718  -1.701
  390   1HE   LYS  46          1HE       LYS  46 -10.160  12.765   0.931
  391   2HE   LYS  46          2HE       LYS  46 -11.240  14.167   0.800
  392   1HZ   LYS  46          1HZ       LYS  46 -12.630  12.749  -0.724
  393   2HZ   LYS  46          2HZ       LYS  46 -12.640  12.276   0.907
  394   3HZ   LYS  46          3HZ       LYS  46 -11.700  11.420  -0.224
  395    H    LYS  47           H        LYS  47  -5.444  13.174  -3.374
  396    HA   LYS  47           HA       LYS  47  -5.282  15.993  -3.357
  397   1HB   LYS  47          1HB       LYS  47  -3.753  13.718  -4.574
  398   2HB   LYS  47          2HB       LYS  47  -3.299  15.365  -5.011
  399   1HG   LYS  47          1HG       LYS  47  -3.665  14.574  -2.125
  400   2HG   LYS  47          2HG       LYS  47  -2.134  14.295  -2.955
  401   1HD   LYS  47          1HD       LYS  47  -1.654  16.537  -3.121
  402   2HD   LYS  47          2HD       LYS  47  -3.351  16.999  -3.241
  403   1HE   LYS  47          1HE       LYS  47  -2.506  15.794  -0.651
  404   2HE   LYS  47          2HE       LYS  47  -1.914  17.431  -0.998
  405   1HZ   LYS  47          1HZ       LYS  47  -4.063  17.643  -0.018
  406   2HZ   LYS  47          2HZ       LYS  47  -4.729  16.486  -1.069
  407   3HZ   LYS  47          3HZ       LYS  47  -4.229  17.994  -1.669
  408    H    GLU  48           H        GLU  48  -6.506  13.836  -5.826
  409    HA   GLU  48           HA       GLU  48  -6.643  16.101  -7.779
  410   1HB   GLU  48          1HB       GLU  48  -6.860  13.086  -8.051
  411   2HB   GLU  48          2HB       GLU  48  -7.022  14.216  -9.396
  412   1HG   GLU  48          1HG       GLU  48  -4.782  14.723  -9.423
  413   2HG   GLU  48          2HG       GLU  48  -4.609  14.520  -7.680
  414    H    GLY  49           H        GLY  49  -8.587  13.596  -6.165
  415   1HA   GLY  49          1HA       GLY  49 -10.880  14.250  -5.459
  416   2HA   GLY  49          2HA       GLY  49 -11.020  15.117  -6.988
  417    H    ARG  50           H        ARG  50  -9.550  11.931  -6.710
  418    HA   ARG  50           HA       ARG  50 -11.310  10.860  -8.765
  419   1HB   ARG  50          1HB       ARG  50  -8.851  10.229  -7.371
  420   2HB   ARG  50          2HB       ARG  50  -9.882   8.801  -7.466
  421   1HG   ARG  50          1HG       ARG  50  -8.468   8.911  -9.455
  422   2HG   ARG  50          2HG       ARG  50 -10.140   9.197  -9.912
  423   1HD   ARG  50          1HD       ARG  50  -9.750  11.381 -10.498
  424   2HD   ARG  50          2HD       ARG  50  -8.578  11.618  -9.186
  425    HE   ARG  50           HE       ARG  50  -7.067  10.056 -10.623
  426   1HH1  ARG  50          1HH1      ARG  50  -7.888  13.067 -11.418
  427   2HH1  ARG  50          2HH1      ARG  50  -7.829  12.890 -13.140
  428   1HH2  ARG  50          1HH2      ARG  50  -7.674   9.426 -13.042
  429   2HH2  ARG  50          2HH2      ARG  50  -7.707  10.828 -14.060
  430    H    ILE  51           H        ILE  51 -10.850  10.177  -5.274
  431    HA   ILE  51           HA       ILE  51 -13.380   8.590  -5.305
  432    HB   ILE  51           HB       ILE  51 -12.530   7.857  -3.066
  433   1HG1  ILE  51          1HG1      ILE  51  -9.896   9.130  -3.598
  434   2HG1  ILE  51          2HG1      ILE  51 -11.170  10.195  -3.011
  435   1HG2  ILE  51          1HG2      ILE  51 -11.510   7.257  -5.620
  436   2HG2  ILE  51          2HG2      ILE  51 -11.380   6.266  -4.169
  437   3HG2  ILE  51          3HG2      ILE  51 -10.100   7.408  -4.579
  438   1HD1  ILE  51          1HD1      ILE  51  -9.880   9.218  -1.138
  439   2HD1  ILE  51          2HD1      ILE  51 -10.310   7.603  -1.691
  440   3HD1  ILE  51          3HD1      ILE  51 -11.560   8.702  -1.099
  441    H    GLY  52           H        GLY  52 -15.120   9.149  -3.955
  442   1HA   GLY  52          1HA       GLY  52 -14.950  11.860  -2.697
  443   2HA   GLY  52          2HA       GLY  52 -16.420  11.239  -3.458
  444    H    ALA  53           H        ALA  53 -16.400   8.618  -2.445
  445    HA   ALA  53           HA       ALA  53 -16.370   8.917   0.521
  446   1HB   ALA  53          1HB       ALA  53 -18.600   9.413   0.301
  447   2HB   ALA  53          2HB       ALA  53 -18.760   7.668   0.110
  448   3HB   ALA  53          3HB       ALA  53 -18.690   8.708  -1.313
  449   1H    MET   1          1H        MET   1   4.441 -12.104 -22.451
  450   2H    MET   1          2H        MET   1   4.088 -10.790 -21.434
  451   3H    MET   1          3H        MET   1   2.905 -11.388 -22.494
  452    HA   MET   1           HA       MET   1   3.162 -13.592 -21.218
  453   1HB   MET   1          1HB       MET   1   4.721 -11.534 -19.695
  454   2HB   MET   1          2HB       MET   1   3.861 -12.773 -18.781
  455   1HG   MET   1          1HG       MET   1   5.015 -14.540 -19.986
  456   2HG   MET   1          2HG       MET   1   5.781 -13.363 -21.051
  457   1HE   MET   1          1HE       MET   1   6.250 -15.683 -18.802
  458   2HE   MET   1          2HE       MET   1   5.907 -14.905 -17.259
  459   3HE   MET   1          3HE       MET   1   7.571 -15.275 -17.700
  460    H    LYS   2           H        LYS   2   2.636 -10.427 -19.600
  461    HA   LYS   2           HA       LYS   2   0.683  -9.546 -18.595
  462   1HB   LYS   2          1HB       LYS   2  -0.110 -10.964 -21.109
  463   2HB   LYS   2          2HB       LYS   2  -1.398 -10.386 -20.052
  464   1HG   LYS   2          1HG       LYS   2   0.838  -8.499 -20.635
  465   2HG   LYS   2          2HG       LYS   2  -0.311  -8.820 -21.936
  466   1HD   LYS   2          1HD       LYS   2  -2.171  -8.306 -20.309
  467   2HD   LYS   2          2HD       LYS   2  -0.938  -7.782 -19.160
  468   1HE   LYS   2          1HE       LYS   2  -0.302  -5.941 -20.488
  469   2HE   LYS   2          2HE       LYS   2  -1.025  -6.634 -21.954
  470   1HZ   LYS   2          1HZ       LYS   2  -2.532  -5.816 -19.525
  471   2HZ   LYS   2          2HZ       LYS   2  -3.202  -6.445 -20.956
  472   3HZ   LYS   2          3HZ       LYS   2  -2.452  -4.921 -20.962
  473    H    GLY   3           H        GLY   3   0.738 -10.681 -16.582
  474   1HA   GLY   3          1HA       GLY   3  -0.236 -13.405 -16.335
  475   2HA   GLY   3          2HA       GLY   3   0.118 -12.310 -14.998
  476    H    MET   4           H        MET   4  -1.605 -10.191 -15.594
  477    HA   MET   4           HA       MET   4  -3.848  -9.539 -15.235
  478   1HB   MET   4          1HB       MET   4  -3.657 -11.066 -17.491
  479   2HB   MET   4          2HB       MET   4  -4.854 -11.983 -16.574
  480   1HG   MET   4          1HG       MET   4  -5.965  -9.650 -16.172
  481   2HG   MET   4          2HG       MET   4  -5.006  -9.147 -17.564
  482   1HE   MET   4          1HE       MET   4  -8.382  -9.299 -17.326
  483   2HE   MET   4          2HE       MET   4  -8.514  -9.498 -19.072
  484   3HE   MET   4          3HE       MET   4  -7.273  -8.441 -18.405
  485    H    SER   5           H        SER   5  -2.476 -11.662 -13.430
  486    HA   SER   5           HA       SER   5  -4.441 -13.510 -12.487
  487   1HB   SER   5          1HB       SER   5  -1.900 -12.269 -11.552
  488   2HB   SER   5          2HB       SER   5  -2.897 -13.042 -10.324
  489    HG   SER   5           HG       SER   5  -1.792 -14.715 -11.080
  490    H    LYS   6           H        LYS   6  -5.134 -13.221  -9.987
  491    HA   LYS   6           HA       LYS   6  -7.016 -11.007  -9.925
  492   1HB   LYS   6          1HB       LYS   6  -6.117 -13.051  -7.865
  493   2HB   LYS   6          2HB       LYS   6  -7.523 -12.003  -7.685
  494   1HG   LYS   6          1HG       LYS   6  -8.285 -12.967  -9.966
  495   2HG   LYS   6          2HG       LYS   6  -7.091 -14.232  -9.669
  496   1HD   LYS   6          1HD       LYS   6  -8.179 -14.898  -7.634
  497   2HD   LYS   6          2HD       LYS   6  -9.236 -13.487  -7.669
  498   1HE   LYS   6          1HE       LYS   6 -10.700 -14.987  -8.623
  499   2HE   LYS   6          2HE       LYS   6  -9.812 -14.577 -10.101
  500   1HZ   LYS   6          1HZ       LYS   6  -9.711 -16.918  -9.906
  501   2HZ   LYS   6          2HZ       LYS   6  -9.324 -16.846  -8.253
  502   3HZ   LYS   6          3HZ       LYS   6  -8.189 -16.350  -9.418
  503    H    MET   7           H        MET   7  -6.905 -10.205  -7.234
  504    HA   MET   7           HA       MET   7  -4.619  -8.334  -7.322
  505   1HB   MET   7          1HB       MET   7  -5.884  -7.243  -5.508
  506   2HB   MET   7          2HB       MET   7  -6.954  -7.620  -6.856
  507   1HG   MET   7          1HG       MET   7  -6.941  -9.918  -5.215
  508   2HG   MET   7          2HG       MET   7  -7.085  -8.545  -4.120
  509   1HE   MET   7          1HE       MET   7  -9.493  -7.800  -3.441
  510   2HE   MET   7          2HE       MET   7 -10.290  -6.899  -4.726
  511   3HE   MET   7          3HE       MET   7  -8.576  -6.645  -4.418
  512    HA   PRO   8           HA       PRO   8  -2.205 -10.398  -4.282
  513   1HB   PRO   8          1HB       PRO   8  -1.246  -8.328  -2.768
  514   2HB   PRO   8          2HB       PRO   8  -0.671  -8.678  -4.410
  515   1HG   PRO   8          1HG       PRO   8  -2.607  -6.618  -3.481
  516   2HG   PRO   8          2HG       PRO   8  -1.364  -6.516  -4.736
  517   1HD   PRO   8          1HD       PRO   8  -4.010  -6.860  -5.270
  518   2HD   PRO   8          2HD       PRO   8  -2.709  -7.435  -6.334
  519    H    GLN   9           H        GLN   9  -2.378 -11.230  -2.150
  520    HA   GLN   9           HA       GLN   9  -4.893 -11.034  -0.824
  521   1HB   GLN   9          1HB       GLN   9  -2.211 -12.217  -0.390
  522   2HB   GLN   9          2HB       GLN   9  -3.179 -11.994   1.067
  523   1HG   GLN   9          1HG       GLN   9  -4.211 -13.927   0.515
  524   2HG   GLN   9          2HG       GLN   9  -5.001 -13.011  -0.769
  525   1HE2  GLN   9          1HE2      GLN   9  -3.958 -13.065  -2.946
  526   2HE2  GLN   9          2HE2      GLN   9  -2.941 -14.358  -3.360
  527    H    PHE  10           H        PHE  10  -2.073  -9.002  -0.638
  528    HA   PHE  10           HA       PHE  10  -2.473  -7.958   2.023
  529   1HB   PHE  10          1HB       PHE  10  -0.378  -7.801   0.723
  530   2HB   PHE  10          2HB       PHE  10  -1.185  -6.764  -0.454
  531    HD1  PHE  10           HD1      PHE  10  -1.493  -4.424  -0.054
  532    HD2  PHE  10           HD2      PHE  10  -0.158  -7.021   3.128
  533    HE1  PHE  10           HE1      PHE  10  -1.010  -2.433   1.367
  534    HE2  PHE  10           HE2      PHE  10   0.321  -5.028   4.550
  535    HZ   PHE  10           HZ       PHE  10  -0.104  -2.736   3.671
  536    H    LEU  11           H        LEU  11  -3.784  -7.129  -1.155
  537    HA   LEU  11           HA       LEU  11  -5.128  -4.714  -0.085
  538   1HB   LEU  11          1HB       LEU  11  -5.047  -6.057  -2.807
  539   2HB   LEU  11          2HB       LEU  11  -5.805  -4.498  -2.479
  540    HG   LEU  11           HG       LEU  11  -2.884  -5.128  -1.965
  541   1HD1  LEU  11          1HD1      LEU  11  -4.051  -4.805  -4.425
  542   2HD1  LEU  11          2HD1      LEU  11  -2.378  -4.386  -4.053
  543   3HD1  LEU  11          3HD1      LEU  11  -3.627  -3.143  -4.015
  544   1HD2  LEU  11          1HD2      LEU  11  -2.996  -2.466  -2.013
  545   2HD2  LEU  11          2HD2      LEU  11  -3.349  -3.361  -0.535
  546   3HD2  LEU  11          3HD2      LEU  11  -4.669  -2.762  -1.538
  547    H    ASN  12           H        ASN  12  -5.817  -7.705   0.570
  548    HA   ASN  12           HA       ASN  12  -8.449  -8.173  -0.542
  549   1HB   ASN  12          1HB       ASN  12  -6.589  -9.663   0.696
  550   2HB   ASN  12          2HB       ASN  12  -7.604  -9.298   2.092
  551   1HD2  ASN  12          1HD2      ASN  12  -7.321 -11.308  -0.690
  552   2HD2  ASN  12          2HD2      ASN  12  -8.869 -12.001  -0.622
  553    H    ARG  13           H        ARG  13  -7.232  -6.356   2.200
  554    HA   ARG  13           HA       ARG  13  -9.850  -6.159   3.517
  555   1HB   ARG  13          1HB       ARG  13  -7.128  -5.822   4.160
  556   2HB   ARG  13          2HB       ARG  13  -7.851  -4.221   4.327
  557   1HG   ARG  13          1HG       ARG  13  -8.182  -5.213   6.446
  558   2HG   ARG  13          2HG       ARG  13  -9.733  -5.425   5.632
  559   1HD   ARG  13          1HD       ARG  13  -9.548  -7.683   5.723
  560   2HD   ARG  13          2HD       ARG  13  -7.908  -7.631   5.046
  561    HE   ARG  13           HE       ARG  13  -7.710  -6.648   7.680
  562   1HH1  ARG  13          1HH1      ARG  13  -9.763  -9.149   7.224
  563   2HH1  ARG  13          2HH1      ARG  13  -8.799 -10.368   7.987
  564   1HH2  ARG  13          1HH2      ARG  13  -5.960  -8.385   8.165
  565   2HH2  ARG  13          2HH2      ARG  13  -6.645  -9.935   8.520
  566    H    TRP  14           H        TRP  14  -8.185  -4.505   1.001
  567    HA   TRP  14           HA       TRP  14  -9.337  -1.871   1.336
  568   1HB   TRP  14          1HB       TRP  14  -8.031  -3.427  -0.896
  569   2HB   TRP  14          2HB       TRP  14  -8.560  -1.763  -1.094
  570    HD1  TRP  14           HD1      TRP  14  -7.053  -3.003   2.214
  571    HE1  TRP  14           HE1      TRP  14  -4.812  -1.790   2.590
  572    HE3  TRP  14           HE3      TRP  14  -6.650  -0.589  -2.241
  573    HZ2  TRP  14           HZ2      TRP  14  -3.051  -0.008   1.165
  574    HZ3  TRP  14           HZ3      TRP  14  -4.675   0.864  -2.738
  575    HH2  TRP  14           HH2      TRP  14  -2.884   1.153  -1.036
  576    HA   PRO  15           HA       PRO  15 -13.340  -2.836  -0.269
  577   1HB   PRO  15          1HB       PRO  15 -14.140  -0.339  -1.026
  578   2HB   PRO  15          2HB       PRO  15 -14.090  -0.875   0.662
  579   1HG   PRO  15          1HG       PRO  15 -12.190   0.839  -0.842
  580   2HG   PRO  15          2HG       PRO  15 -12.700   0.931   0.850
  581   1HD   PRO  15          1HD       PRO  15 -10.300  -0.121   0.008
  582   2HD   PRO  15          2HD       PRO  15 -11.100  -0.546   1.538
  583    H    ARG  16           H        ARG  16 -14.610  -2.626  -2.297
  584    HA   ARG  16           HA       ARG  16 -13.050  -3.208  -4.630
  585   1HB   ARG  16          1HB       ARG  16 -15.710  -3.322  -3.669
  586   2HB   ARG  16          2HB       ARG  16 -15.770  -2.352  -5.136
  587   1HG   ARG  16          1HG       ARG  16 -14.070  -4.350  -5.864
  588   2HG   ARG  16          2HG       ARG  16 -15.170  -5.196  -4.781
  589   1HD   ARG  16          1HD       ARG  16 -16.830  -5.160  -6.342
  590   2HD   ARG  16          2HD       ARG  16 -16.630  -3.412  -6.572
  591    HE   ARG  16           HE       ARG  16 -14.480  -4.207  -7.907
  592   1HH1  ARG  16          1HH1      ARG  16 -17.720  -4.589  -8.524
  593   2HH1  ARG  16          2HH1      ARG  16 -17.540  -5.817  -9.734
  594   1HH2  ARG  16          1HH2      ARG  16 -14.160  -6.288  -9.132
  595   2HH2  ARG  16          2HH2      ARG  16 -15.530  -6.778 -10.078
  596    H    GLU  17           H        GLU  17 -14.780  -0.373  -3.505
  597    HA   GLU  17           HA       GLU  17 -14.650   1.243  -5.833
  598   1HB   GLU  17          1HB       GLU  17 -14.770   1.755  -2.864
  599   2HB   GLU  17          2HB       GLU  17 -14.780   3.093  -4.015
  600   1HG   GLU  17          1HG       GLU  17 -16.790   2.313  -5.055
  601   2HG   GLU  17          2HG       GLU  17 -16.700   0.765  -4.213
  602    H    VAL  18           H        VAL  18 -12.210   0.757  -3.273
  603    HA   VAL  18           HA       VAL  18 -10.480   2.882  -4.327
  604    HB   VAL  18           HB       VAL  18 -10.130   0.699  -2.245
  605   1HG1  VAL  18          1HG1      VAL  18  -8.312   2.858  -3.252
  606   2HG1  VAL  18          2HG1      VAL  18  -7.922   1.221  -2.719
  607   3HG1  VAL  18          3HG1      VAL  18  -8.290   2.469  -1.531
  608   1HG2  VAL  18          1HG2      VAL  18 -10.320   3.626  -1.651
  609   2HG2  VAL  18          2HG2      VAL  18 -10.850   2.252  -0.683
  610   3HG2  VAL  18          3HG2      VAL  18 -11.800   2.773  -2.072
  611    H    LEU  19           H        LEU  19 -10.390  -0.696  -4.262
  612    HA   LEU  19           HA       LEU  19  -7.903  -0.980  -5.641
  613   1HB   LEU  19          1HB       LEU  19 -10.350  -2.741  -5.401
  614   2HB   LEU  19          2HB       LEU  19  -8.802  -3.298  -6.014
  615    HG   LEU  19           HG       LEU  19  -9.076  -1.960  -3.319
  616   1HD1  LEU  19          1HD1      LEU  19  -8.846  -4.434  -2.519
  617   2HD1  LEU  19          2HD1      LEU  19  -9.489  -4.835  -4.112
  618   3HD1  LEU  19          3HD1      LEU  19 -10.430  -3.845  -3.002
  619   1HD2  LEU  19          1HD2      LEU  19  -6.860  -2.390  -4.742
  620   2HD2  LEU  19          2HD2      LEU  19  -7.021  -4.006  -4.052
  621   3HD2  LEU  19          3HD2      LEU  19  -6.878  -2.604  -2.991
  622    H    ASP  20           H        ASP  20 -11.150  -0.389  -6.787
  623    HA   ASP  20           HA       ASP  20 -10.750  -1.166  -9.540
  624   1HB   ASP  20          1HB       ASP  20 -12.930  -0.876  -8.360
  625   2HB   ASP  20          2HB       ASP  20 -12.640   0.862  -8.302
  626    H    LEU  21           H        LEU  21  -9.921   1.646  -7.661
  627    HA   LEU  21           HA       LEU  21  -9.445   3.360 -10.017
  628   1HB   LEU  21          1HB       LEU  21 -10.400   4.248  -7.933
  629   2HB   LEU  21          2HB       LEU  21  -9.000   3.670  -7.029
  630    HG   LEU  21           HG       LEU  21  -7.714   5.138  -8.878
  631   1HD1  LEU  21          1HD1      LEU  21 -10.220   5.713  -9.635
  632   2HD1  LEU  21          2HD1      LEU  21  -8.915   6.889  -9.751
  633   3HD1  LEU  21          3HD1      LEU  21 -10.020   6.942  -8.386
  634   1HD2  LEU  21          1HD2      LEU  21  -8.973   5.908  -6.254
  635   2HD2  LEU  21          2HD2      LEU  21  -8.008   7.076  -7.154
  636   3HD2  LEU  21          3HD2      LEU  21  -7.281   5.566  -6.610
  637    H    VAL  22           H        VAL  22  -7.571   1.716  -7.466
  638    HA   VAL  22           HA       VAL  22  -4.978   2.601  -8.032
  639    HB   VAL  22           HB       VAL  22  -5.922  -0.198  -7.333
  640   1HG1  VAL  22          1HG1      VAL  22  -3.320   1.245  -6.740
  641   2HG1  VAL  22          2HG1      VAL  22  -3.526  -0.040  -7.929
  642   3HG1  VAL  22          3HG1      VAL  22  -3.740  -0.385  -6.212
  643   1HG2  VAL  22          1HG2      VAL  22  -6.730   0.740  -5.446
  644   2HG2  VAL  22          2HG2      VAL  22  -6.130   2.326  -5.930
  645   3HG2  VAL  22          3HG2      VAL  22  -5.082   1.222  -5.040
  646    H    ARG  23           H        ARG  23  -6.714  -0.132  -9.546
  647    HA   ARG  23           HA       ARG  23  -4.678  -1.092 -11.240
  648   1HB   ARG  23          1HB       ARG  23  -7.637  -0.839 -11.868
  649   2HB   ARG  23          2HB       ARG  23  -6.525  -2.045 -12.512
  650   1HG   ARG  23          1HG       ARG  23  -6.348  -2.119  -9.659
  651   2HG   ARG  23          2HG       ARG  23  -8.055  -2.169 -10.102
  652   1HD   ARG  23          1HD       ARG  23  -5.873  -4.030 -11.114
  653   2HD   ARG  23          2HD       ARG  23  -7.237  -4.457 -10.062
  654    HE   ARG  23           HE       ARG  23  -8.529  -3.365 -12.199
  655   1HH1  ARG  23          1HH1      ARG  23  -8.611  -6.300 -11.882
  656   2HH1  ARG  23          2HH1      ARG  23  -7.875  -6.869 -13.343
  657   1HH2  ARG  23          1HH2      ARG  23  -6.432  -3.813 -14.118
  658   2HH2  ARG  23          2HH2      ARG  23  -6.640  -5.461 -14.609
  659    H    LYS  24           H        LYS  24  -7.267   1.206 -12.208
  660    HA   LYS  24           HA       LYS  24  -6.300   1.840 -14.773
  661   1HB   LYS  24          1HB       LYS  24  -8.121   2.905 -12.750
  662   2HB   LYS  24          2HB       LYS  24  -7.415   4.182 -13.743
  663   1HG   LYS  24          1HG       LYS  24  -8.625   1.680 -14.937
  664   2HG   LYS  24          2HG       LYS  24  -9.568   3.141 -14.640
  665   1HD   LYS  24          1HD       LYS  24  -8.370   4.394 -16.216
  666   2HD   LYS  24          2HD       LYS  24  -6.981   3.308 -16.164
  667   1HE   LYS  24          1HE       LYS  24  -8.798   1.549 -17.055
  668   2HE   LYS  24          2HE       LYS  24  -9.537   3.033 -17.686
  669   1HZ   LYS  24          1HZ       LYS  24  -7.649   3.572 -18.884
  670   2HZ   LYS  24          2HZ       LYS  24  -7.709   1.886 -19.072
  671   3HZ   LYS  24          3HZ       LYS  24  -6.634   2.580 -17.955
  672    H    VAL  25           H        VAL  25  -5.045   2.832 -11.667
  673    HA   VAL  25           HA       VAL  25  -3.559   5.132 -12.718
  674    HB   VAL  25           HB       VAL  25  -3.466   3.608 -10.095
  675   1HG1  VAL  25          1HG1      VAL  25  -1.515   5.216 -10.878
  676   2HG1  VAL  25          2HG1      VAL  25  -2.130   5.295  -9.227
  677   3HG1  VAL  25          3HG1      VAL  25  -2.663   6.475 -10.425
  678   1HG2  VAL  25          1HG2      VAL  25  -5.194   4.934  -9.355
  679   2HG2  VAL  25          2HG2      VAL  25  -5.599   4.938 -11.072
  680   3HG2  VAL  25          3HG2      VAL  25  -4.720   6.295 -10.371
  681    H    ALA  26           H        ALA  26  -2.801   1.775 -11.778
  682    HA   ALA  26           HA       ALA  26   0.048   1.979 -12.062
  683   1HB   ALA  26          1HB       ALA  26  -0.170  -0.522 -12.196
  684   2HB   ALA  26          2HB       ALA  26  -1.917  -0.319 -12.321
  685   3HB   ALA  26          3HB       ALA  26  -1.073   0.183 -10.857
  686    H    GLU  27           H        GLU  27  -2.567   1.343 -14.355
  687    HA   GLU  27           HA       GLU  27  -0.732   0.634 -16.533
  688   1HB   GLU  27          1HB       GLU  27  -3.705   1.227 -16.385
  689   2HB   GLU  27          2HB       GLU  27  -2.883   0.577 -17.805
  690   1HG   GLU  27          1HG       GLU  27  -2.448  -0.839 -15.217
  691   2HG   GLU  27          2HG       GLU  27  -4.029  -1.019 -15.980
  692    H    GLU  28           H        GLU  28  -1.824   3.559 -15.130
  693    HA   GLU  28           HA       GLU  28  -1.750   5.113 -17.644
  694   1HB   GLU  28          1HB       GLU  28  -2.321   5.592 -14.731
  695   2HB   GLU  28          2HB       GLU  28  -2.018   6.968 -15.792
  696   1HG   GLU  28          1HG       GLU  28  -4.048   4.815 -16.431
  697   2HG   GLU  28          2HG       GLU  28  -4.460   6.298 -15.568
  698    H    ASN  29           H        ASN  29   0.058   5.124 -14.539
  699    HA   ASN  29           HA       ASN  29   2.109   6.927 -15.396
  700   1HB   ASN  29          1HB       ASN  29   1.627   4.938 -13.224
  701   2HB   ASN  29          2HB       ASN  29   3.294   5.465 -13.464
  702   1HD2  ASN  29          1HD2      ASN  29  -0.016   6.750 -12.912
  703   2HD2  ASN  29          2HD2      ASN  29   0.502   8.188 -12.172
  704    H    GLY  30           H        GLY  30   1.743   3.421 -15.695
  705   1HA   GLY  30          1HA       GLY  30   2.844   2.266 -17.568
  706   2HA   GLY  30          2HA       GLY  30   4.187   3.399 -17.411
  707    H    ARG  31           H        ARG  31   2.633   1.910 -14.636
  708    HA   ARG  31           HA       ARG  31   5.033   0.150 -14.260
  709   1HB   ARG  31          1HB       ARG  31   3.651   1.841 -12.152
  710   2HB   ARG  31          2HB       ARG  31   5.130   0.903 -11.947
  711   1HG   ARG  31          1HG       ARG  31   6.165   2.335 -13.768
  712   2HG   ARG  31          2HG       ARG  31   4.736   3.366 -13.662
  713   1HD   ARG  31          1HD       ARG  31   5.254   3.438 -11.104
  714   2HD   ARG  31          2HD       ARG  31   6.875   2.899 -11.588
  715    HE   ARG  31           HE       ARG  31   5.876   5.107 -13.215
  716   1HH1  ARG  31          1HH1      ARG  31   8.757   4.743 -12.586
  717   2HH1  ARG  31          2HH1      ARG  31   9.047   5.985 -11.414
  718   1HH2  ARG  31          1HH2      ARG  31   5.684   6.476 -10.716
  719   2HH2  ARG  31          2HH2      ARG  31   7.306   6.965 -10.353
  720    H    SER  32           H        SER  32   4.117  -0.755 -11.697
  721    HA   SER  32           HA       SER  32   1.783  -2.424 -12.535
  722   1HB   SER  32          1HB       SER  32   4.154  -2.765 -10.706
  723   2HB   SER  32          2HB       SER  32   2.744  -3.807 -10.536
  724    HG   SER  32           HG       SER  32   4.374  -4.626 -11.978
  725    H    VAL  33           H        VAL  33   0.473  -3.134 -10.462
  726    HA   VAL  33           HA       VAL  33  -0.574  -0.725  -9.227
  727    HB   VAL  33           HB       VAL  33  -1.066  -3.693  -8.852
  728   1HG1  VAL  33          1HG1      VAL  33  -1.913  -1.537  -7.256
  729   2HG1  VAL  33          2HG1      VAL  33  -2.552  -3.180  -7.250
  730   3HG1  VAL  33          3HG1      VAL  33  -3.295  -1.948  -8.269
  731   1HG2  VAL  33          1HG2      VAL  33  -2.746  -3.464 -10.492
  732   2HG2  VAL  33          2HG2      VAL  33  -1.425  -2.482 -11.130
  733   3HG2  VAL  33          3HG2      VAL  33  -2.792  -1.708 -10.327
  734    H    ASN  34           H        ASN  34   1.767  -3.164  -8.351
  735    HA   ASN  34           HA       ASN  34   1.701  -2.630  -5.466
  736   1HB   ASN  34          1HB       ASN  34   2.451  -4.744  -6.748
  737   2HB   ASN  34          2HB       ASN  34   3.928  -3.853  -7.122
  738   1HD2  ASN  34          1HD2      ASN  34   5.549  -4.445  -5.687
  739   2HD2  ASN  34          2HD2      ASN  34   5.328  -4.737  -4.028
  740    H    SER  35           H        SER  35   3.359  -1.383  -8.300
  741    HA   SER  35           HA       SER  35   5.301   0.161  -6.710
  742   1HB   SER  35          1HB       SER  35   4.775  -0.587  -9.512
  743   2HB   SER  35          2HB       SER  35   5.368   1.062  -9.326
  744    HG   SER  35           HG       SER  35   7.125  -0.306  -9.461
  745    H    GLU  36           H        GLU  36   2.173   0.598  -8.272
  746    HA   GLU  36           HA       GLU  36   2.185   3.488  -8.273
  747   1HB   GLU  36          1HB       GLU  36   0.795   1.802  -9.619
  748   2HB   GLU  36          2HB       GLU  36  -0.160   1.576  -8.152
  749   1HG   GLU  36          1HG       GLU  36  -1.185   3.252  -9.611
  750   2HG   GLU  36          2HG       GLU  36  -0.649   3.980  -8.100
  751    H    ILE  37           H        ILE  37   0.941   0.962  -6.081
  752    HA   ILE  37           HA       ILE  37  -0.226   2.760  -4.149
  753    HB   ILE  37           HB       ILE  37   0.860  -0.074  -4.018
  754   1HG1  ILE  37          1HG1      ILE  37  -1.058   0.423  -5.594
  755   2HG1  ILE  37          2HG1      ILE  37  -1.427  -0.764  -4.346
  756   1HG2  ILE  37          1HG2      ILE  37  -0.011   1.661  -1.895
  757   2HG2  ILE  37          2HG2      ILE  37   0.534  -0.013  -1.795
  758   3HG2  ILE  37          3HG2      ILE  37  -1.170   0.345  -2.079
  759   1HD1  ILE  37          1HD1      ILE  37  -3.147   1.146  -4.796
  760   2HD1  ILE  37          2HD1      ILE  37  -2.025   2.155  -3.887
  761   3HD1  ILE  37          3HD1      ILE  37  -2.755   0.742  -3.126
  762    H    TYR  38           H        TYR  38   2.991   1.463  -4.708
  763    HA   TYR  38           HA       TYR  38   4.212   2.110  -2.207
  764   1HB   TYR  38          1HB       TYR  38   5.147   0.606  -3.904
  765   2HB   TYR  38          2HB       TYR  38   5.254   1.937  -5.056
  766    HD1  TYR  38           HD1      TYR  38   7.448   2.615  -5.390
  767    HD2  TYR  38           HD2      TYR  38   6.150   1.525  -1.429
  768    HE1  TYR  38           HE1      TYR  38   9.700   3.212  -4.494
  769    HE2  TYR  38           HE2      TYR  38   8.399   2.119  -0.523
  770    HH   TYR  38           HH       TYR  38  10.365   3.876  -1.489
  771    H    GLN  39           H        GLN  39   3.683   3.980  -5.185
  772    HA   GLN  39           HA       GLN  39   5.229   6.289  -4.336
  773   1HB   GLN  39          1HB       GLN  39   3.056   5.856  -6.413
  774   2HB   GLN  39          2HB       GLN  39   4.052   7.307  -6.305
  775   1HG   GLN  39          1HG       GLN  39   5.305   4.572  -6.506
  776   2HG   GLN  39          2HG       GLN  39   4.812   5.462  -7.949
  777   1HE2  GLN  39          1HE2      GLN  39   7.573   4.909  -7.455
  778   2HE2  GLN  39          2HE2      GLN  39   8.362   6.374  -7.121
  779    H    ARG  40           H        ARG  40   1.745   5.491  -4.387
  780    HA   ARG  40           HA       ARG  40   0.766   7.960  -3.340
  781   1HB   ARG  40          1HB       ARG  40  -0.294   5.146  -2.900
  782   2HB   ARG  40          2HB       ARG  40  -1.233   6.637  -2.882
  783   1HG   ARG  40          1HG       ARG  40   0.248   6.458  -5.352
  784   2HG   ARG  40          2HG       ARG  40  -0.686   4.982  -5.111
  785   1HD   ARG  40          1HD       ARG  40  -2.742   6.249  -4.851
  786   2HD   ARG  40          2HD       ARG  40  -1.846   7.781  -4.877
  787    HE   ARG  40           HE       ARG  40  -2.099   5.926  -7.208
  788   1HH1  ARG  40          1HH1      ARG  40  -3.387   8.659  -7.150
  789   2HH1  ARG  40          2HH1      ARG  40  -2.247   9.602  -8.051
  790   1HH2  ARG  40          1HH2      ARG  40   0.299   7.262  -7.785
  791   2HH2  ARG  40          2HH2      ARG  40  -0.159   8.811  -8.410
  792    H    VAL  41           H        VAL  41   2.344   5.228  -1.853
  793    HA   VAL  41           HA       VAL  41   1.648   6.014   0.905
  794    HB   VAL  41           HB       VAL  41   3.349   3.882  -0.420
  795   1HG1  VAL  41          1HG1      VAL  41   2.741   3.152   2.245
  796   2HG1  VAL  41          2HG1      VAL  41   3.401   4.785   2.319
  797   3HG1  VAL  41          3HG1      VAL  41   4.331   3.489   1.564
  798   1HG2  VAL  41          1HG2      VAL  41   0.610   4.140  -0.121
  799   2HG2  VAL  41          2HG2      VAL  41   1.062   3.110   1.236
  800   3HG2  VAL  41          3HG2      VAL  41   1.469   2.628  -0.410
  801    H    MET  42           H        MET  42   4.231   6.408  -1.412
  802    HA   MET  42           HA       MET  42   6.288   7.178   0.502
  803   1HB   MET  42          1HB       MET  42   5.923   6.667  -2.324
  804   2HB   MET  42          2HB       MET  42   6.838   8.155  -2.093
  805   1HG   MET  42          1HG       MET  42   8.365   6.937  -0.542
  806   2HG   MET  42          2HG       MET  42   7.483   5.450  -0.888
  807   1HE   MET  42          1HE       MET  42   9.529   8.241  -1.845
  808   2HE   MET  42          2HE       MET  42  10.304   7.907  -3.393
  809   3HE   MET  42          3HE       MET  42  10.842   7.062  -1.943
  810    H    GLU  43           H        GLU  43   3.729   8.825  -1.247
  811    HA   GLU  43           HA       GLU  43   4.862  11.508  -0.849
  812   1HB   GLU  43          1HB       GLU  43   2.330  10.297  -1.951
  813   2HB   GLU  43          2HB       GLU  43   2.446  12.038  -1.696
  814   1HG   GLU  43          1HG       GLU  43   4.729  11.775  -2.987
  815   2HG   GLU  43          2HG       GLU  43   3.982  10.298  -3.595
  816    H    SER  44           H        SER  44   2.604   9.374   0.801
  817    HA   SER  44           HA       SER  44   1.290  11.349   2.425
  818   1HB   SER  44          1HB       SER  44   0.687   9.334   3.757
  819   2HB   SER  44          2HB       SER  44   0.456   9.077   2.031
  820    HG   SER  44           HG       SER  44   2.498   8.136   3.737
  821    H    PHE  45           H        PHE  45   4.076   9.187   3.122
  822    HA   PHE  45           HA       PHE  45   4.583  10.156   5.759
  823   1HB   PHE  45          1HB       PHE  45   6.252   8.861   3.590
  824   2HB   PHE  45          2HB       PHE  45   6.888   9.175   5.205
  825    HD1  PHE  45           HD1      PHE  45   5.810   6.560   3.382
  826    HD2  PHE  45           HD2      PHE  45   4.696   8.621   7.009
  827    HE1  PHE  45           HE1      PHE  45   4.721   4.483   4.228
  828    HE2  PHE  45           HE2      PHE  45   3.607   6.545   7.854
  829    HZ   PHE  45           HZ       PHE  45   3.620   4.476   6.466
  830    H    LYS  46           H        LYS  46   5.298  11.498   2.612
  831    HA   LYS  46           HA       LYS  46   7.464  13.245   3.440
  832   1HB   LYS  46          1HB       LYS  46   7.043  12.470   1.124
  833   2HB   LYS  46          2HB       LYS  46   5.522  13.363   1.109
  834   1HG   LYS  46          1HG       LYS  46   7.023  14.844   0.062
  835   2HG   LYS  46          2HG       LYS  46   6.975  15.424   1.727
  836   1HD   LYS  46          1HD       LYS  46   9.232  15.241   1.680
  837   2HD   LYS  46          2HD       LYS  46   8.961  13.504   1.815
  838   1HE   LYS  46          1HE       LYS  46   8.687  13.639  -0.813
  839   2HE   LYS  46          2HE       LYS  46   9.642  15.123  -0.620
  840   1HZ   LYS  46          1HZ       LYS  46  11.154  13.775   0.835
  841   2HZ   LYS  46          2HZ       LYS  46  11.188  13.359  -0.813
  842   3HZ   LYS  46          3HZ       LYS  46  10.340  12.388   0.293
  843    H    LYS  47           H        LYS  47   3.963  13.448   3.517
  844    HA   LYS  47           HA       LYS  47   3.553  16.242   3.613
  845   1HB   LYS  47          1HB       LYS  47   2.232  13.794   4.734
  846   2HB   LYS  47          2HB       LYS  47   1.638  15.375   5.239
  847   1HG   LYS  47          1HG       LYS  47   2.061  14.741   2.323
  848   2HG   LYS  47          2HG       LYS  47   0.563  14.294   3.140
  849   1HD   LYS  47          1HD       LYS  47  -0.111  16.477   3.402
  850   2HD   LYS  47          2HD       LYS  47   1.541  17.082   3.538
  851   1HE   LYS  47          1HE       LYS  47   0.787  15.913   0.901
  852   2HE   LYS  47          2HE       LYS  47   0.061  17.478   1.316
  853   1HZ   LYS  47          1HZ       LYS  47   2.175  17.917   0.343
  854   2HZ   LYS  47          2HZ       LYS  47   2.945  16.773   1.335
  855   3HZ   LYS  47          3HZ       LYS  47   2.325  18.205   2.009
  856    H    GLU  48           H        GLU  48   4.973  14.102   5.985
  857    HA   GLU  48           HA       GLU  48   4.916  16.285   8.033
  858   1HB   GLU  48          1HB       GLU  48   5.397  13.291   8.175
  859   2HB   GLU  48          2HB       GLU  48   5.469  14.371   9.569
  860   1HG   GLU  48          1HG       GLU  48   3.193  14.685   9.619
  861   2HG   GLU  48          2HG       GLU  48   3.030  14.536   7.869
  862    H    GLY  49           H        GLY  49   7.066  14.035   6.309
  863   1HA   GLY  49          1HA       GLY  49   9.294  14.914   5.631
  864   2HA   GLY  49          2HA       GLY  49   9.368  15.727   7.195
  865    H    ARG  50           H        ARG  50   8.171  12.438   6.790
  866    HA   ARG  50           HA       ARG  50  10.029  11.442   8.797
  867   1HB   ARG  50          1HB       ARG  50   7.630  10.655   7.376
  868   2HB   ARG  50          2HB       ARG  50   8.783   9.321   7.411
  869   1HG   ARG  50          1HG       ARG  50   7.374   9.224   9.404
  870   2HG   ARG  50          2HG       ARG  50   9.024   9.639   9.871
  871   1HD   ARG  50          1HD       ARG  50   8.436  11.752  10.546
  872   2HD   ARG  50          2HD       ARG  50   7.237  11.938   9.248
  873    HE   ARG  50           HE       ARG  50   5.883  10.189  10.620
  874   1HH1  ARG  50          1HH1      ARG  50   6.440  13.226  11.542
  875   2HH1  ARG  50          2HH1      ARG  50   6.404  12.971  13.255
  876   1HH2  ARG  50          1HH2      ARG  50   6.553   9.515  13.010
  877   2HH2  ARG  50          2HH2      ARG  50   6.468  10.870  14.085
  878    H    ILE  51           H        ILE  51   9.622  10.866   5.281
  879    HA   ILE  51           HA       ILE  51  12.277   9.506   5.246
  880    HB   ILE  51           HB       ILE  51  11.489   8.794   2.981
  881   1HG1  ILE  51          1HG1      ILE  51   8.753   9.806   3.563
  882   2HG1  ILE  51          2HG1      ILE  51   9.929  11.003   3.021
  883   1HG2  ILE  51          1HG2      ILE  51  10.539   8.007   5.510
  884   2HG2  ILE  51          2HG2      ILE  51  10.492   7.063   4.020
  885   3HG2  ILE  51          3HG2      ILE  51   9.114   8.067   4.472
  886   1HD1  ILE  51          1HD1      ILE  51   8.716   9.991   1.113
  887   2HD1  ILE  51          2HD1      ILE  51   9.307   8.401   1.594
  888   3HD1  ILE  51          3HD1      ILE  51  10.441   9.635   1.048
  889    H    GLY  52           H        GLY  52  13.962  10.270   3.918
  890   1HA   GLY  52          1HA       GLY  52  13.551  13.006   2.775
  891   2HA   GLY  52          2HA       GLY  52  15.069  12.482   3.505
  892    H    ALA  53           H        ALA  53  15.280   9.916   2.388
  893    HA   ALA  53           HA       ALA  53  15.204  10.329  -0.564
  894   1HB   ALA  53          1HB       ALA  53  17.380  11.010  -0.334
  895   2HB   ALA  53          2HB       ALA  53  17.699   9.279  -0.203
  896   3HB   ALA  53          3HB       ALA  53  17.545  10.261   1.254
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1   1.037 -26.013  16.081
    2   2H    MET   1          2H        MET   1   0.541 -25.413  14.572
    3   3H    MET   1          3H        MET   1  -0.112 -24.767  16.002
    4    HA   MET   1           HA       MET   1   2.073 -23.889  16.622
    5   1HB   MET   1          1HB       MET   1   2.702 -25.719  14.423
    6   2HB   MET   1          2HB       MET   1   3.500 -24.156  14.248
    7   1HG   MET   1          1HG       MET   1   4.726 -24.407  16.199
    8   2HG   MET   1          2HG       MET   1   3.529 -25.472  16.938
    9   1HE   MET   1          1HE       MET   1   5.054 -27.194  17.802
   10   2HE   MET   1          2HE       MET   1   6.433 -26.208  17.320
   11   3HE   MET   1          3HE       MET   1   6.409 -27.927  16.933
   12    H    LYS   2           H        LYS   2   2.072 -21.689  16.245
   13    HA   LYS   2           HA       LYS   2   0.939 -20.721  13.641
   14   1HB   LYS   2          1HB       LYS   2   0.501 -19.672  16.458
   15   2HB   LYS   2          2HB       LYS   2  -0.178 -18.963  14.991
   16   1HG   LYS   2          1HG       LYS   2  -1.255 -21.208  14.523
   17   2HG   LYS   2          2HG       LYS   2  -0.746 -21.709  16.135
   18   1HD   LYS   2          1HD       LYS   2  -1.943 -19.616  17.002
   19   2HD   LYS   2          2HD       LYS   2  -2.664 -19.490  15.397
   20   1HE   LYS   2          1HE       LYS   2  -2.809 -22.079  16.949
   21   2HE   LYS   2          2HE       LYS   2  -4.010 -20.796  17.189
   22   1HZ   LYS   2          1HZ       LYS   2  -4.554 -20.802  14.909
   23   2HZ   LYS   2          2HZ       LYS   2  -4.533 -22.437  15.371
   24   3HZ   LYS   2          3HZ       LYS   2  -3.227 -21.778  14.504
   25    H    GLY   3           H        GLY   3   3.667 -20.941  13.830
   26   1HA   GLY   3          1HA       GLY   3   4.714 -18.323  14.759
   27   2HA   GLY   3          2HA       GLY   3   5.694 -19.702  14.256
   28    H    MET   4           H        MET   4   4.115 -16.816  13.201
   29    HA   MET   4           HA       MET   4   5.208 -17.275  10.451
   30   1HB   MET   4          1HB       MET   4   2.537 -17.394  11.172
   31   2HB   MET   4          2HB       MET   4   2.712 -15.732  10.613
   32   1HG   MET   4          1HG       MET   4   3.824 -16.617   8.538
   33   2HG   MET   4          2HG       MET   4   3.427 -18.247   9.083
   34   1HE   MET   4          1HE       MET   4   0.594 -17.637  10.573
   35   2HE   MET   4          2HE       MET   4   1.143 -19.052   9.679
   36   3HE   MET   4          3HE       MET   4  -0.392 -18.296   9.260
   37    H    SER   5           H        SER   5   5.880 -15.323   9.393
   38    HA   SER   5           HA       SER   5   6.822 -13.211  11.123
   39   1HB   SER   5          1HB       SER   5   6.503 -13.061   8.126
   40   2HB   SER   5          2HB       SER   5   7.791 -12.393   9.125
   41    HG   SER   5           HG       SER   5   8.034 -14.532   7.873
   42    H    LYS   6           H        LYS   6   6.278 -10.811  10.243
   43    HA   LYS   6           HA       LYS   6   3.290 -10.605  10.033
   44   1HB   LYS   6          1HB       LYS   6   5.309  -9.413  11.872
   45   2HB   LYS   6          2HB       LYS   6   3.977  -8.370  11.374
   46   1HG   LYS   6          1HG       LYS   6   2.948 -10.979  12.024
   47   2HG   LYS   6          2HG       LYS   6   3.933 -10.390  13.364
   48   1HD   LYS   6          1HD       LYS   6   2.527  -8.627  13.803
   49   2HD   LYS   6          2HD       LYS   6   2.065  -8.438  12.112
   50   1HE   LYS   6          1HE       LYS   6   0.865 -10.740  12.422
   51   2HE   LYS   6          2HE       LYS   6   0.974 -10.368  14.154
   52   1HZ   LYS   6          1HZ       LYS   6  -1.055  -9.455  13.127
   53   2HZ   LYS   6          2HZ       LYS   6  -0.095  -8.517  12.086
   54   3HZ   LYS   6          3HZ       LYS   6  -0.053  -8.242  13.762
   55    H    MET   7           H        MET   7   4.665 -10.572   7.666
   56    HA   MET   7           HA       MET   7   4.429  -7.724   6.869
   57   1HB   MET   7          1HB       MET   7   6.668  -7.485   6.634
   58   2HB   MET   7          2HB       MET   7   6.867  -9.059   7.390
   59   1HG   MET   7          1HG       MET   7   6.754 -10.148   5.185
   60   2HG   MET   7          2HG       MET   7   6.507  -8.580   4.413
   61   1HE   MET   7          1HE       MET   7   9.738  -7.485   3.468
   62   2HE   MET   7          2HE       MET   7   7.978  -7.411   3.429
   63   3HE   MET   7          3HE       MET   7   8.809  -8.830   2.793
   64    HA   PRO   8           HA       PRO   8   2.276  -9.989   3.672
   65   1HB   PRO   8          1HB       PRO   8   1.551  -7.828   2.157
   66   2HB   PRO   8          2HB       PRO   8   0.721  -8.278   3.661
   67   1HG   PRO   8          1HG       PRO   8   2.768  -6.170   3.188
   68   2HG   PRO   8          2HG       PRO   8   1.327  -6.137   4.215
   69   1HD   PRO   8          1HD       PRO   8   3.842  -6.519   5.181
   70   2HD   PRO   8          2HD       PRO   8   2.382  -7.166   5.962
   71    H    GLN   9           H        GLN   9   2.612 -10.427   1.370
   72    HA   GLN   9           HA       GLN   9   5.396 -10.040   0.527
   73   1HB   GLN   9          1HB       GLN   9   2.949 -11.516  -0.421
   74   2HB   GLN   9          2HB       GLN   9   4.348 -11.367  -1.487
   75   1HG   GLN   9          1HG       GLN   9   4.422 -12.478   1.334
   76   2HG   GLN   9          2HG       GLN   9   4.439 -13.449  -0.139
   77   1HE2  GLN   9          1HE2      GLN   9   6.465 -11.943   2.128
   78   2HE2  GLN   9          2HE2      GLN   9   7.893 -11.928   1.210
   79    H    PHE  10           H        PHE  10   2.337  -8.497  -0.064
   80    HA   PHE  10           HA       PHE  10   2.693  -7.473  -2.686
   81   1HB   PHE  10          1HB       PHE  10   0.606  -7.360  -1.435
   82   2HB   PHE  10          2HB       PHE  10   1.359  -6.347  -0.202
   83    HD1  PHE  10           HD1      PHE  10   1.199  -4.013  -0.373
   84    HD2  PHE  10           HD2      PHE  10   0.738  -6.440  -3.910
   85    HE1  PHE  10           HE1      PHE  10   0.643  -1.976  -1.696
   86    HE2  PHE  10           HE2      PHE  10   0.182  -4.404  -5.236
   87    HZ   PHE  10           HZ       PHE  10   0.134  -2.171  -4.129
   88    H    LEU  11           H        LEU  11   4.223  -6.574   0.333
   89    HA   LEU  11           HA       LEU  11   5.273  -4.051  -0.847
   90   1HB   LEU  11          1HB       LEU  11   5.556  -5.260   1.923
   91   2HB   LEU  11          2HB       LEU  11   5.952  -3.605   1.461
   92    HG   LEU  11           HG       LEU  11   3.182  -4.792   1.159
   93   1HD1  LEU  11          1HD1      LEU  11   4.339  -4.425   3.568
   94   2HD1  LEU  11          2HD1      LEU  11   2.625  -4.124   3.278
   95   3HD1  LEU  11          3HD1      LEU  11   3.769  -2.782   3.268
   96   1HD2  LEU  11          1HD2      LEU  11   3.451  -1.911   1.505
   97   2HD2  LEU  11          2HD2      LEU  11   2.649  -2.810   0.216
   98   3HD2  LEU  11          3HD2      LEU  11   4.378  -2.486   0.118
   99    H    ASN  12           H        ASN  12   6.194  -6.740  -1.783
  100    HA   ASN  12           HA       ASN  12   8.806  -7.288  -0.658
  101   1HB   ASN  12          1HB       ASN  12   6.991  -8.416  -2.479
  102   2HB   ASN  12          2HB       ASN  12   8.429  -8.066  -3.436
  103   1HD2  ASN  12          1HD2      ASN  12   7.733  -9.364  -0.129
  104   2HD2  ASN  12          2HD2      ASN  12   8.875 -10.617  -0.228
  105    H    ARG  13           H        ARG  13   7.620  -5.190  -3.243
  106    HA   ARG  13           HA       ARG  13  10.295  -4.604  -4.282
  107   1HB   ARG  13          1HB       ARG  13   7.858  -4.564  -5.357
  108   2HB   ARG  13          2HB       ARG  13   7.887  -2.897  -4.780
  109   1HG   ARG  13          1HG       ARG  13   9.930  -2.448  -6.021
  110   2HG   ARG  13          2HG       ARG  13  10.051  -4.141  -6.500
  111   1HD   ARG  13          1HD       ARG  13   8.373  -3.952  -8.082
  112   2HD   ARG  13          2HD       ARG  13   7.514  -2.696  -7.170
  113    HE   ARG  13           HE       ARG  13   9.496  -1.185  -7.795
  114   1HH1  ARG  13          1HH1      ARG  13  10.147  -4.019  -9.321
  115   2HH1  ARG  13          2HH1      ARG  13  10.109  -3.403 -10.939
  116   1HH2  ARG  13          1HH2      ARG  13   8.762  -0.343 -10.025
  117   2HH2  ARG  13          2HH2      ARG  13   9.325  -1.323 -11.338
  118    H    TRP  14           H        TRP  14   8.192  -3.336  -1.823
  119    HA   TRP  14           HA       TRP  14   9.193  -0.666  -1.624
  120   1HB   TRP  14          1HB       TRP  14   7.948  -2.643   0.292
  121   2HB   TRP  14          2HB       TRP  14   8.295  -0.979   0.736
  122    HD1  TRP  14           HD1      TRP  14   7.001  -1.968  -2.753
  123    HE1  TRP  14           HE1      TRP  14   4.670  -0.918  -3.073
  124    HE3  TRP  14           HE3      TRP  14   6.298  -0.062   1.905
  125    HZ2  TRP  14           HZ2      TRP  14   2.731   0.558  -1.528
  126    HZ3  TRP  14           HZ3      TRP  14   4.198   1.164   2.486
  127    HH2  TRP  14           HH2      TRP  14   2.420   1.477   0.766
  128    HA   PRO  15           HA       PRO  15  13.213  -1.701  -0.058
  129   1HB   PRO  15          1HB       PRO  15  13.928   0.758   0.901
  130   2HB   PRO  15          2HB       PRO  15  13.972   0.318  -0.814
  131   1HG   PRO  15          1HG       PRO  15  11.945   1.890   0.687
  132   2HG   PRO  15          2HG       PRO  15  12.554   2.124  -0.957
  133   1HD   PRO  15          1HD       PRO  15  10.142   0.972  -0.390
  134   2HD   PRO  15          2HD       PRO  15  11.083   0.614  -1.855
  135    H    ARG  16           H        ARG  16  14.227  -2.024   1.950
  136    HA   ARG  16           HA       ARG  16  12.635  -2.664   4.172
  137   1HB   ARG  16          1HB       ARG  16  15.266  -2.847   3.317
  138   2HB   ARG  16          2HB       ARG  16  15.382  -1.839   4.757
  139   1HG   ARG  16          1HG       ARG  16  13.856  -3.555   5.870
  140   2HG   ARG  16          2HG       ARG  16  14.221  -4.591   4.491
  141   1HD   ARG  16          1HD       ARG  16  16.625  -3.375   5.668
  142   2HD   ARG  16          2HD       ARG  16  15.759  -4.448   6.788
  143    HE   ARG  16           HE       ARG  16  16.077  -5.499   4.057
  144   1HH1  ARG  16          1HH1      ARG  16  18.827  -5.182   5.189
  145   2HH1  ARG  16          2HH1      ARG  16  19.060  -6.688   6.015
  146   1HH2  ARG  16          1HH2      ARG  16  15.689  -7.506   6.024
  147   2HH2  ARG  16          2HH2      ARG  16  17.283  -8.004   6.486
  148    H    GLU  17           H        GLU  17  14.503   0.268   3.518
  149    HA   GLU  17           HA       GLU  17  14.216   1.593   5.989
  150   1HB   GLU  17          1HB       GLU  17  14.294   2.647   3.148
  151   2HB   GLU  17          2HB       GLU  17  14.583   3.631   4.583
  152   1HG   GLU  17          1HG       GLU  17  16.725   2.951   4.645
  153   2HG   GLU  17          2HG       GLU  17  16.202   1.270   4.761
  154    H    VAL  18           H        VAL  18  11.962   1.597   3.201
  155    HA   VAL  18           HA       VAL  18  10.135   3.484   4.459
  156    HB   VAL  18           HB       VAL  18   9.866   1.561   2.121
  157   1HG1  VAL  18          1HG1      VAL  18   8.042   3.605   3.321
  158   2HG1  VAL  18          2HG1      VAL  18   7.650   2.085   2.519
  159   3HG1  VAL  18          3HG1      VAL  18   8.107   3.493   1.563
  160   1HG2  VAL  18          1HG2      VAL  18  10.388   4.552   2.182
  161   2HG2  VAL  18          2HG2      VAL  18  10.385   3.507   0.760
  162   3HG2  VAL  18          3HG2      VAL  18  11.650   3.337   1.977
  163    H    LEU  19           H        LEU  19   9.960  -0.042   3.847
  164    HA   LEU  19           HA       LEU  19   7.470  -0.573   5.012
  165   1HB   LEU  19          1HB       LEU  19  10.043  -2.036   4.594
  166   2HB   LEU  19          2HB       LEU  19   8.806  -2.809   5.588
  167    HG   LEU  19           HG       LEU  19   8.226  -1.666   2.847
  168   1HD1  LEU  19          1HD1      LEU  19   8.699  -3.711   1.853
  169   2HD1  LEU  19          2HD1      LEU  19   8.505  -4.606   3.361
  170   3HD1  LEU  19          3HD1      LEU  19   9.963  -3.651   3.082
  171   1HD2  LEU  19          1HD2      LEU  19   6.499  -2.305   4.819
  172   2HD2  LEU  19          2HD2      LEU  19   6.696  -3.899   4.089
  173   3HD2  LEU  19          3HD2      LEU  19   6.119  -2.548   3.115
  174    H    ASP  20           H        ASP  20  10.615  -0.172   6.583
  175    HA   ASP  20           HA       ASP  20   9.872  -1.043   9.196
  176   1HB   ASP  20          1HB       ASP  20  12.171  -0.525   8.165
  177   2HB   ASP  20          2HB       ASP  20  11.825   1.168   8.524
  178    H    LEU  21           H        LEU  21   9.639   2.101   7.585
  179    HA   LEU  21           HA       LEU  21   8.756   3.601   9.891
  180   1HB   LEU  21          1HB       LEU  21   9.755   4.653   7.960
  181   2HB   LEU  21          2HB       LEU  21   8.560   3.934   6.883
  182    HG   LEU  21           HG       LEU  21   6.782   5.258   7.952
  183   1HD1  LEU  21          1HD1      LEU  21   7.395   7.009   9.587
  184   2HD1  LEU  21          2HD1      LEU  21   9.063   6.434   9.574
  185   3HD1  LEU  21          3HD1      LEU  21   7.779   5.401  10.205
  186   1HD2  LEU  21          1HD2      LEU  21   7.783   7.572   7.328
  187   2HD2  LEU  21          2HD2      LEU  21   7.713   6.338   6.072
  188   3HD2  LEU  21          3HD2      LEU  21   9.234   6.665   6.900
  189    H    VAL  22           H        VAL  22   7.056   1.915   7.249
  190    HA   VAL  22           HA       VAL  22   4.401   2.718   7.832
  191    HB   VAL  22           HB       VAL  22   5.437   0.056   6.804
  192   1HG1  VAL  22          1HG1      VAL  22   3.308  -0.162   5.730
  193   2HG1  VAL  22          2HG1      VAL  22   2.862   1.498   6.127
  194   3HG1  VAL  22          3HG1      VAL  22   2.970   0.283   7.402
  195   1HG2  VAL  22          1HG2      VAL  22   4.599   1.853   4.735
  196   2HG2  VAL  22          2HG2      VAL  22   6.204   1.168   4.999
  197   3HG2  VAL  22          3HG2      VAL  22   5.760   2.696   5.761
  198    H    ARG  23           H        ARG  23   6.200  -0.166   8.988
  199    HA   ARG  23           HA       ARG  23   4.195  -1.360  10.558
  200   1HB   ARG  23          1HB       ARG  23   7.156  -1.091  11.175
  201   2HB   ARG  23          2HB       ARG  23   6.088  -2.367  11.752
  202   1HG   ARG  23          1HG       ARG  23   5.691  -2.422   9.018
  203   2HG   ARG  23          2HG       ARG  23   7.414  -2.086   9.162
  204   1HD   ARG  23          1HD       ARG  23   6.024  -4.329  10.660
  205   2HD   ARG  23          2HD       ARG  23   6.908  -4.549   9.136
  206    HE   ARG  23           HE       ARG  23   8.768  -3.229  10.581
  207   1HH1  ARG  23          1HH1      ARG  23   7.612  -6.344  10.565
  208   2HH1  ARG  23          2HH1      ARG  23   8.252  -6.795  12.110
  209   1HH2  ARG  23          1HH2      ARG  23   9.187  -3.564  12.960
  210   2HH2  ARG  23          2HH2      ARG  23   9.144  -5.219  13.468
  211    H    LYS  24           H        LYS  24   6.601   1.078  11.587
  212    HA   LYS  24           HA       LYS  24   5.681   1.334  14.283
  213   1HB   LYS  24          1HB       LYS  24   7.477   2.652  12.384
  214   2HB   LYS  24          2HB       LYS  24   6.758   3.785  13.527
  215   1HG   LYS  24          1HG       LYS  24   7.385   1.778  15.224
  216   2HG   LYS  24          2HG       LYS  24   8.651   1.551  14.018
  217   1HD   LYS  24          1HD       LYS  24   8.390   4.358  14.550
  218   2HD   LYS  24          2HD       LYS  24   8.544   3.505  16.085
  219   1HE   LYS  24          1HE       LYS  24  10.396   2.963  13.746
  220   2HE   LYS  24          2HE       LYS  24  10.759   4.166  14.999
  221   1HZ   LYS  24          1HZ       LYS  24  11.672   2.141  15.763
  222   2HZ   LYS  24          2HZ       LYS  24  10.276   1.262  15.355
  223   3HZ   LYS  24          3HZ       LYS  24  10.242   2.362  16.651
  224    H    VAL  25           H        VAL  25   4.558   2.799  11.277
  225    HA   VAL  25           HA       VAL  25   2.944   4.854  12.570
  226    HB   VAL  25           HB       VAL  25   2.880   3.654   9.781
  227   1HG1  VAL  25          1HG1      VAL  25   2.052   6.437  10.612
  228   2HG1  VAL  25          2HG1      VAL  25   0.906   5.095  10.604
  229   3HG1  VAL  25          3HG1      VAL  25   1.694   5.591   9.105
  230   1HG2  VAL  25          1HG2      VAL  25   4.990   4.941  11.003
  231   2HG2  VAL  25          2HG2      VAL  25   4.148   6.276  10.216
  232   3HG2  VAL  25          3HG2      VAL  25   4.708   4.901   9.262
  233    H    ALA  26           H        ALA  26   2.424   1.528  11.525
  234    HA   ALA  26           HA       ALA  26  -0.477   1.621  11.677
  235   1HB   ALA  26          1HB       ALA  26   0.146  -0.989  11.897
  236   2HB   ALA  26          2HB       ALA  26   1.717  -0.387  11.369
  237   3HB   ALA  26          3HB       ALA  26   0.291  -0.129  10.365
  238    H    GLU  27           H        GLU  27   2.122   0.443  13.827
  239    HA   GLU  27           HA       GLU  27   0.330  -0.315  15.975
  240   1HB   GLU  27          1HB       GLU  27   3.209  -0.165  15.370
  241   2HB   GLU  27          2HB       GLU  27   2.830   0.098  17.071
  242   1HG   GLU  27          1HG       GLU  27   1.991  -2.031  17.359
  243   2HG   GLU  27          2HG       GLU  27   1.451  -2.157  15.684
  244    H    GLU  28           H        GLU  28   1.482   2.728  14.842
  245    HA   GLU  28           HA       GLU  28   1.511   4.095  17.425
  246   1HB   GLU  28          1HB       GLU  28   1.841   4.692  14.531
  247   2HB   GLU  28          2HB       GLU  28   1.308   6.037  15.539
  248   1HG   GLU  28          1HG       GLU  28   3.620   4.317  16.410
  249   2HG   GLU  28          2HG       GLU  28   3.872   5.625  15.253
  250    H    ASN  29           H        ASN  29  -0.633   4.373  14.558
  251    HA   ASN  29           HA       ASN  29  -2.678   5.856  15.927
  252   1HB   ASN  29          1HB       ASN  29  -2.352   4.328  13.370
  253   2HB   ASN  29          2HB       ASN  29  -3.979   4.812  13.847
  254   1HD2  ASN  29          1HD2      ASN  29  -0.899   5.985  12.655
  255   2HD2  ASN  29          2HD2      ASN  29  -1.356   7.613  12.505
  256    H    GLY  30           H        GLY  30  -1.927   2.451  15.768
  257   1HA   GLY  30          1HA       GLY  30  -2.857   0.930  17.439
  258   2HA   GLY  30          2HA       GLY  30  -4.329   1.899  17.443
  259    H    ARG  31           H        ARG  31  -3.012   1.314  14.322
  260    HA   ARG  31           HA       ARG  31  -5.113  -0.776  13.852
  261   1HB   ARG  31          1HB       ARG  31  -3.905   1.261  11.953
  262   2HB   ARG  31          2HB       ARG  31  -5.269   0.197  11.611
  263   1HG   ARG  31          1HG       ARG  31  -6.446   1.283  13.595
  264   2HG   ARG  31          2HG       ARG  31  -5.155   2.485  13.584
  265   1HD   ARG  31          1HD       ARG  31  -5.698   2.866  11.114
  266   2HD   ARG  31          2HD       ARG  31  -7.170   1.914  11.395
  267    HE   ARG  31           HE       ARG  31  -6.640   4.115  13.298
  268   1HH1  ARG  31          1HH1      ARG  31  -9.338   2.966  13.111
  269   2HH1  ARG  31          2HH1      ARG  31 -10.170   4.080  12.080
  270   1HH2  ARG  31          1HH2      ARG  31  -7.273   5.532  10.856
  271   2HH2  ARG  31          2HH2      ARG  31  -9.003   5.532  10.805
  272    H    SER  32           H        SER  32  -4.280  -1.527  11.299
  273    HA   SER  32           HA       SER  32  -1.733  -2.962  11.893
  274   1HB   SER  32          1HB       SER  32  -4.029  -3.406   9.960
  275   2HB   SER  32          2HB       SER  32  -2.588  -4.418  10.009
  276    HG   SER  32           HG       SER  32  -4.683  -4.810  11.394
  277    H    VAL  33           H        VAL  33  -0.648  -3.477   9.540
  278    HA   VAL  33           HA       VAL  33   0.195  -0.872   8.535
  279    HB   VAL  33           HB       VAL  33   0.859  -3.737   7.793
  280   1HG1  VAL  33          1HG1      VAL  33   2.919  -1.742   7.358
  281   2HG1  VAL  33          2HG1      VAL  33   1.464  -1.358   6.439
  282   3HG1  VAL  33          3HG1      VAL  33   2.253  -2.920   6.228
  283   1HG2  VAL  33          1HG2      VAL  33   1.930  -1.750   9.796
  284   2HG2  VAL  33          2HG2      VAL  33   2.962  -3.039   9.165
  285   3HG2  VAL  33          3HG2      VAL  33   1.486  -3.440  10.047
  286    H    ASN  34           H        ASN  34  -2.190  -3.220   7.657
  287    HA   ASN  34           HA       ASN  34  -2.283  -2.557   4.801
  288   1HB   ASN  34          1HB       ASN  34  -3.030  -4.700   6.076
  289   2HB   ASN  34          2HB       ASN  34  -4.475  -3.778   6.493
  290   1HD2  ASN  34          1HD2      ASN  34  -5.711  -5.352   5.114
  291   2HD2  ASN  34          2HD2      ASN  34  -5.700  -5.167   3.426
  292    H    SER  35           H        SER  35  -3.822  -1.489   7.786
  293    HA   SER  35           HA       SER  35  -5.807   0.195   6.442
  294   1HB   SER  35          1HB       SER  35  -6.213  -0.830   8.635
  295   2HB   SER  35          2HB       SER  35  -4.798  -0.019   9.300
  296    HG   SER  35           HG       SER  35  -7.298   0.890   9.051
  297    H    GLU  36           H        GLU  36  -2.625   0.610   7.985
  298    HA   GLU  36           HA       GLU  36  -2.544   3.471   7.944
  299   1HB   GLU  36          1HB       GLU  36  -1.036   1.363   8.855
  300   2HB   GLU  36          2HB       GLU  36  -0.051   1.941   7.511
  301   1HG   GLU  36          1HG       GLU  36   0.628   3.135   9.489
  302   2HG   GLU  36          2HG       GLU  36  -0.258   4.257   8.458
  303    H    ILE  37           H        ILE  37  -1.189   1.037   5.693
  304    HA   ILE  37           HA       ILE  37  -0.264   2.888   3.712
  305    HB   ILE  37           HB       ILE  37  -1.183  -0.005   3.583
  306   1HG1  ILE  37          1HG1      ILE  37   0.673   0.500   5.175
  307   2HG1  ILE  37          2HG1      ILE  37   1.188  -0.529   3.838
  308   1HG2  ILE  37          1HG2      ILE  37   0.780   0.396   1.655
  309   2HG2  ILE  37          2HG2      ILE  37  -0.237   1.830   1.516
  310   3HG2  ILE  37          3HG2      ILE  37  -0.949   0.227   1.348
  311   1HD1  ILE  37          1HD1      ILE  37   1.636   2.458   4.108
  312   2HD1  ILE  37          2HD1      ILE  37   2.002   1.534   2.651
  313   3HD1  ILE  37          3HD1      ILE  37   2.865   1.193   4.151
  314    H    TYR  38           H        TYR  38  -3.395   1.337   4.289
  315    HA   TYR  38           HA       TYR  38  -4.636   1.980   1.790
  316   1HB   TYR  38          1HB       TYR  38  -5.455   0.311   3.394
  317   2HB   TYR  38          2HB       TYR  38  -5.726   1.575   4.594
  318    HD1  TYR  38           HD1      TYR  38  -8.020   1.922   4.877
  319    HD2  TYR  38           HD2      TYR  38  -6.424   1.361   0.915
  320    HE1  TYR  38           HE1      TYR  38 -10.270   2.360   3.910
  321    HE2  TYR  38           HE2      TYR  38  -8.678   1.802  -0.062
  322    HH   TYR  38           HH       TYR  38 -11.510   1.839   1.820
  323    H    GLN  39           H        GLN  39  -4.231   3.785   4.817
  324    HA   GLN  39           HA       GLN  39  -6.060   5.932   4.108
  325   1HB   GLN  39          1HB       GLN  39  -4.471   5.051   6.303
  326   2HB   GLN  39          2HB       GLN  39  -3.980   6.708   5.948
  327   1HG   GLN  39          1HG       GLN  39  -5.784   7.125   7.336
  328   2HG   GLN  39          2HG       GLN  39  -6.611   7.076   5.779
  329   1HE2  GLN  39          1HE2      GLN  39  -8.610   6.140   6.422
  330   2HE2  GLN  39          2HE2      GLN  39  -8.736   4.606   7.140
  331    H    ARG  40           H        ARG  40  -2.500   5.577   4.068
  332    HA   ARG  40           HA       ARG  40  -1.882   8.148   2.993
  333   1HB   ARG  40          1HB       ARG  40  -0.499   5.456   2.692
  334   2HB   ARG  40          2HB       ARG  40   0.262   7.026   2.435
  335   1HG   ARG  40          1HG       ARG  40  -0.394   7.612   4.819
  336   2HG   ARG  40          2HG       ARG  40  -0.842   5.918   5.027
  337   1HD   ARG  40          1HD       ARG  40   1.508   5.305   4.275
  338   2HD   ARG  40          2HD       ARG  40   1.909   7.031   4.399
  339    HE   ARG  40           HE       ARG  40   1.558   5.251   6.639
  340   1HH1  ARG  40          1HH1      ARG  40   2.609   8.250   6.072
  341   2HH1  ARG  40          2HH1      ARG  40   1.796   9.040   7.381
  342   1HH2  ARG  40          1HH2      ARG  40  -0.259   6.336   8.086
  343   2HH2  ARG  40          2HH2      ARG  40   0.168   7.958   8.519
  344    H    VAL  41           H        VAL  41  -3.161   5.251   1.536
  345    HA   VAL  41           HA       VAL  41  -2.544   6.087  -1.229
  346    HB   VAL  41           HB       VAL  41  -4.036   3.798   0.093
  347   1HG1  VAL  41          1HG1      VAL  41  -5.039   4.260  -2.117
  348   2HG1  VAL  41          2HG1      VAL  41  -4.127   2.750  -2.137
  349   3HG1  VAL  41          3HG1      VAL  41  -3.437   4.207  -2.855
  350   1HG2  VAL  41          1HG2      VAL  41  -1.697   3.281  -1.609
  351   2HG2  VAL  41          2HG2      VAL  41  -2.059   2.692   0.014
  352   3HG2  VAL  41          3HG2      VAL  41  -1.339   4.286  -0.205
  353    H    MET  42           H        MET  42  -5.191   6.157   1.068
  354    HA   MET  42           HA       MET  42  -7.270   6.813  -0.869
  355   1HB   MET  42          1HB       MET  42  -6.959   6.094   1.885
  356   2HB   MET  42          2HB       MET  42  -7.892   7.586   1.820
  357   1HG   MET  42          1HG       MET  42  -8.804   5.810  -0.254
  358   2HG   MET  42          2HG       MET  42  -8.795   4.950   1.282
  359   1HE   MET  42          1HE       MET  42  -9.664   5.682   3.334
  360   2HE   MET  42          2HE       MET  42 -11.110   4.962   2.638
  361   3HE   MET  42          3HE       MET  42 -11.220   6.487   3.513
  362    H    GLU  43           H        GLU  43  -4.854   8.588   0.900
  363    HA   GLU  43           HA       GLU  43  -6.227  11.166   0.815
  364   1HB   GLU  43          1HB       GLU  43  -3.412  10.210   1.393
  365   2HB   GLU  43          2HB       GLU  43  -3.873  11.910   1.490
  366   1HG   GLU  43          1HG       GLU  43  -5.821  10.313   2.888
  367   2HG   GLU  43          2HG       GLU  43  -4.206   9.919   3.480
  368    H    SER  44           H        SER  44  -4.304   9.306  -1.400
  369    HA   SER  44           HA       SER  44  -3.352  11.581  -2.976
  370   1HB   SER  44          1HB       SER  44  -2.664   8.949  -2.642
  371   2HB   SER  44          2HB       SER  44  -3.527   8.882  -4.177
  372    HG   SER  44           HG       SER  44  -1.982   9.999  -5.091
  373    H    PHE  45           H        PHE  45  -5.861   9.062  -3.400
  374    HA   PHE  45           HA       PHE  45  -6.854  10.059  -5.909
  375   1HB   PHE  45          1HB       PHE  45  -8.030   8.359  -3.691
  376   2HB   PHE  45          2HB       PHE  45  -8.798   8.577  -5.264
  377    HD1  PHE  45           HD1      PHE  45  -6.955   6.292  -3.507
  378    HD2  PHE  45           HD2      PHE  45  -6.804   8.424  -7.257
  379    HE1  PHE  45           HE1      PHE  45  -5.516   4.498  -4.469
  380    HE2  PHE  45           HE2      PHE  45  -5.366   6.632  -8.219
  381    HZ   PHE  45           HZ       PHE  45  -4.725   4.666  -6.826
  382    H    LYS  46           H        LYS  46  -7.170  11.284  -2.712
  383    HA   LYS  46           HA       LYS  46  -9.832  12.427  -2.967
  384   1HB   LYS  46          1HB       LYS  46  -7.479  12.580  -1.122
  385   2HB   LYS  46          2HB       LYS  46  -8.714  13.832  -0.995
  386   1HG   LYS  46          1HG       LYS  46  -9.440  10.903  -1.045
  387   2HG   LYS  46          2HG       LYS  46  -9.027  11.726   0.460
  388   1HD   LYS  46          1HD       LYS  46 -10.780  13.492  -0.267
  389   2HD   LYS  46          2HD       LYS  46 -11.340  12.260  -1.397
  390   1HE   LYS  46          1HE       LYS  46 -11.250  10.726   0.794
  391   2HE   LYS  46          2HE       LYS  46 -11.490  12.296   1.587
  392   1HZ   LYS  46          1HZ       LYS  46 -13.310  12.725   0.004
  393   2HZ   LYS  46          2HZ       LYS  46 -13.620  11.374   0.984
  394   3HZ   LYS  46          3HZ       LYS  46 -13.120  11.162  -0.627
  395    H    LYS  47           H        LYS  47  -6.518  13.624  -3.493
  396    HA   LYS  47           HA       LYS  47  -7.054  16.373  -3.864
  397   1HB   LYS  47          1HB       LYS  47  -5.057  14.373  -4.868
  398   2HB   LYS  47          2HB       LYS  47  -5.040  15.995  -5.559
  399   1HG   LYS  47          1HG       LYS  47  -4.516  17.006  -3.515
  400   2HG   LYS  47          2HG       LYS  47  -5.126  15.644  -2.574
  401   1HD   LYS  47          1HD       LYS  47  -2.810  15.354  -2.401
  402   2HD   LYS  47          2HD       LYS  47  -3.211  14.306  -3.762
  403   1HE   LYS  47          1HE       LYS  47  -2.563  16.062  -5.349
  404   2HE   LYS  47          2HE       LYS  47  -2.223  17.172  -4.006
  405   1HZ   LYS  47          1HZ       LYS  47  -0.169  16.195  -4.440
  406   2HZ   LYS  47          2HZ       LYS  47  -0.837  14.657  -4.716
  407   3HZ   LYS  47          3HZ       LYS  47  -0.759  15.282  -3.137
  408    H    GLU  48           H        GLU  48  -6.947  13.810  -6.373
  409    HA   GLU  48           HA       GLU  48  -7.870  15.510  -8.509
  410   1HB   GLU  48          1HB       GLU  48  -7.224  12.703  -7.971
  411   2HB   GLU  48          2HB       GLU  48  -8.532  12.883  -9.141
  412   1HG   GLU  48          1HG       GLU  48  -7.037  13.438 -10.726
  413   2HG   GLU  48          2HG       GLU  48  -6.531  14.826  -9.762
  414    H    GLY  49           H        GLY  49  -9.602  12.808  -6.907
  415   1HA   GLY  49          1HA       GLY  49 -11.860  13.421  -5.910
  416   2HA   GLY  49          2HA       GLY  49 -12.140  14.307  -7.408
  417    H    ARG  50           H        ARG  50 -10.550  11.151  -7.199
  418    HA   ARG  50           HA       ARG  50 -12.450  10.052  -9.151
  419   1HB   ARG  50          1HB       ARG  50  -9.787   9.581  -8.158
  420   2HB   ARG  50          2HB       ARG  50 -10.700   8.081  -8.065
  421   1HG   ARG  50          1HG       ARG  50 -10.630   7.817 -10.300
  422   2HG   ARG  50          2HG       ARG  50 -11.250   9.447 -10.560
  423   1HD   ARG  50          1HD       ARG  50  -8.597   9.801  -9.679
  424   2HD   ARG  50          2HD       ARG  50  -8.545   8.494 -10.880
  425    HE   ARG  50           HE       ARG  50  -9.625  11.230 -11.372
  426   1HH1  ARG  50          1HH1      ARG  50  -7.465   9.098 -12.592
  427   2HH1  ARG  50          2HH1      ARG  50  -8.114   9.023 -14.196
  428   1HH2  ARG  50          1HH2      ARG  50 -11.030  10.699 -13.377
  429   2HH2  ARG  50          2HH2      ARG  50 -10.130   9.932 -14.641
  430    H    ILE  51           H        ILE  51 -11.870   9.882  -5.689
  431    HA   ILE  51           HA       ILE  51 -14.040   7.825  -5.441
  432    HB   ILE  51           HB       ILE  51 -12.960   7.410  -3.222
  433   1HG1  ILE  51          1HG1      ILE  51 -10.790   9.280  -4.186
  434   2HG1  ILE  51          2HG1      ILE  51 -12.070   9.807  -3.096
  435   1HG2  ILE  51          1HG2      ILE  51 -10.800   7.364  -5.306
  436   2HG2  ILE  51          2HG2      ILE  51 -12.240   6.367  -5.509
  437   3HG2  ILE  51          3HG2      ILE  51 -11.200   6.142  -4.100
  438   1HD1  ILE  51          1HD1      ILE  51 -11.360   8.379  -1.368
  439   2HD1  ILE  51          2HD1      ILE  51  -9.845   8.951  -2.057
  440   3HD1  ILE  51          3HD1      ILE  51 -10.450   7.348  -2.470
  441    H    GLY  52           H        GLY  52 -15.410   8.149  -3.417
  442   1HA   GLY  52          1HA       GLY  52 -15.520  10.686  -2.083
  443   2HA   GLY  52          2HA       GLY  52 -16.690  10.667  -3.403
  444    H    ALA  53           H        ALA  53 -15.720   7.906  -1.397
  445    HA   ALA  53           HA       ALA  53 -18.580   7.665  -0.539
  446   1HB   ALA  53          1HB       ALA  53 -16.650   5.421  -0.254
  447   2HB   ALA  53          2HB       ALA  53 -17.010   5.928  -1.904
  448   3HB   ALA  53          3HB       ALA  53 -18.320   5.403  -0.840
  449   1H    MET   1          1H        MET   1   0.917 -25.382 -17.521
  450   2H    MET   1          2H        MET   1   1.353 -24.808 -15.984
  451   3H    MET   1          3H        MET   1   1.952 -24.046 -17.381
  452    HA   MET   1           HA       MET   1  -0.300 -23.340 -17.981
  453   1HB   MET   1          1HB       MET   1  -0.774 -25.309 -15.865
  454   2HB   MET   1          2HB       MET   1  -1.705 -23.830 -15.626
  455   1HG   MET   1          1HG       MET   1  -2.901 -24.098 -17.593
  456   2HG   MET   1          2HG       MET   1  -1.616 -25.023 -18.369
  457   1HE   MET   1          1HE       MET   1  -2.974 -26.833 -19.317
  458   2HE   MET   1          2HE       MET   1  -4.439 -25.995 -18.808
  459   3HE   MET   1          3HE       MET   1  -4.263 -27.719 -18.492
  460    H    LYS   2           H        LYS   2  -0.490 -21.165 -17.518
  461    HA   LYS   2           HA       LYS   2   0.542 -20.206 -14.868
  462   1HB   LYS   2          1HB       LYS   2   0.903 -19.014 -17.638
  463   2HB   LYS   2          2HB       LYS   2   1.514 -18.310 -16.140
  464   1HG   LYS   2          1HG       LYS   2   2.774 -20.472 -15.751
  465   2HG   LYS   2          2HG       LYS   2   2.319 -20.948 -17.389
  466   1HD   LYS   2          1HD       LYS   2   3.338 -18.728 -18.159
  467   2HD   LYS   2          2HD       LYS   2   4.036 -18.607 -16.544
  468   1HE   LYS   2          1HE       LYS   2   4.411 -21.110 -18.197
  469   2HE   LYS   2          2HE       LYS   2   5.499 -19.719 -18.376
  470   1HZ   LYS   2          1HZ       LYS   2   6.025 -19.768 -16.090
  471   2HZ   LYS   2          2HZ       LYS   2   6.153 -21.378 -16.617
  472   3HZ   LYS   2          3HZ       LYS   2   4.789 -20.875 -15.739
  473    H    GLY   3           H        GLY   3  -2.155 -20.651 -15.088
  474   1HA   GLY   3          1HA       GLY   3  -3.416 -18.095 -15.921
  475   2HA   GLY   3          2HA       GLY   3  -4.278 -19.572 -15.485
  476    H    MET   4           H        MET   4  -2.951 -16.612 -14.296
  477    HA   MET   4           HA       MET   4  -4.022 -17.277 -11.578
  478   1HB   MET   4          1HB       MET   4  -1.345 -17.133 -12.281
  479   2HB   MET   4          2HB       MET   4  -1.668 -15.518 -11.650
  480   1HG   MET   4          1HG       MET   4  -2.709 -16.592  -9.628
  481   2HG   MET   4          2HG       MET   4  -2.168 -18.154 -10.241
  482   1HE   MET   4          1HE       MET   4   0.612 -17.240 -11.671
  483   2HE   MET   4          2HE       MET   4   0.178 -18.734 -10.844
  484   3HE   MET   4          3HE       MET   4   1.641 -17.869 -10.376
  485    H    SER   5           H        SER   5  -4.862 -15.434 -10.447
  486    HA   SER   5           HA       SER   5  -5.976 -13.341 -12.097
  487   1HB   SER   5          1HB       SER   5  -5.684 -13.286  -9.095
  488   2HB   SER   5          2HB       SER   5  -7.022 -12.692 -10.076
  489    HG   SER   5           HG       SER   5  -7.081 -14.893  -8.911
  490    H    LYS   6           H        LYS   6  -5.642 -10.943 -11.110
  491    HA   LYS   6           HA       LYS   6  -2.684 -10.490 -10.872
  492   1HB   LYS   6          1HB       LYS   6  -4.790  -9.404 -12.679
  493   2HB   LYS   6          2HB       LYS   6  -3.556  -8.268 -12.128
  494   1HG   LYS   6          1HG       LYS   6  -2.298 -10.750 -12.870
  495   2HG   LYS   6          2HG       LYS   6  -3.324 -10.197 -14.195
  496   1HD   LYS   6          1HD       LYS   6  -2.078  -8.300 -14.552
  497   2HD   LYS   6          2HD       LYS   6  -1.640  -8.141 -12.851
  498   1HE   LYS   6          1HE       LYS   6  -0.243 -10.317 -13.249
  499   2HE   LYS   6          2HE       LYS   6  -0.377  -9.880 -14.963
  500   1HZ   LYS   6          1HZ       LYS   6   1.559  -8.840 -13.882
  501   2HZ   LYS   6          2HZ       LYS   6   0.514  -8.036 -12.809
  502   3HZ   LYS   6          3HZ       LYS   6   0.458  -7.693 -14.473
  503    H    MET   7           H        MET   7  -4.065 -10.671  -8.516
  504    HA   MET   7           HA       MET   7  -4.080  -7.848  -7.604
  505   1HB   MET   7          1HB       MET   7  -6.332  -7.811  -7.378
  506   2HB   MET   7          2HB       MET   7  -6.391  -9.365  -8.198
  507   1HG   MET   7          1HG       MET   7  -6.196 -10.529  -6.038
  508   2HG   MET   7          2HG       MET   7  -6.086  -8.979  -5.202
  509   1HE   MET   7          1HE       MET   7  -9.399  -8.192  -4.241
  510   2HE   MET   7          2HE       MET   7  -7.650  -7.987  -4.177
  511   3HE   MET   7          3HE       MET   7  -8.374  -9.491  -3.611
  512    HA   PRO   8           HA       PRO   8  -1.751 -10.048  -4.486
  513   1HB   PRO   8          1HB       PRO   8  -1.226  -7.895  -2.878
  514   2HB   PRO   8          2HB       PRO   8  -0.350  -8.210  -4.390
  515   1HG   PRO   8          1HG       PRO   8  -2.578  -6.310  -3.851
  516   2HG   PRO   8          2HG       PRO   8  -1.141  -6.105  -4.863
  517   1HD   PRO   8          1HD       PRO   8  -3.608  -6.668  -5.865
  518   2HD   PRO   8          2HD       PRO   8  -2.093  -7.152  -6.660
  519    H    GLN   9           H        GLN   9  -2.066 -10.614  -2.209
  520    HA   GLN   9           HA       GLN   9  -4.874 -10.497  -1.370
  521   1HB   GLN   9          1HB       GLN   9  -2.317 -11.797  -0.463
  522   2HB   GLN   9          2HB       GLN   9  -3.727 -11.814   0.596
  523   1HG   GLN   9          1HG       GLN   9  -3.690 -12.808  -2.270
  524   2HG   GLN   9          2HG       GLN   9  -3.630 -13.838  -0.838
  525   1HE2  GLN   9          1HE2      GLN   9  -5.769 -12.423  -3.059
  526   2HE2  GLN   9          2HE2      GLN   9  -7.198 -12.567  -2.154
  527    H    PHE  10           H        PHE  10  -1.962  -8.728  -0.693
  528    HA   PHE  10           HA       PHE  10  -2.419  -7.845   1.966
  529   1HB   PHE  10          1HB       PHE  10  -0.341  -7.503   0.743
  530   2HB   PHE  10          2HB       PHE  10  -1.170  -6.512  -0.459
  531    HD1  PHE  10           HD1      PHE  10  -1.217  -4.180  -0.196
  532    HD2  PHE  10           HD2      PHE  10  -0.563  -6.694   3.253
  533    HE1  PHE  10           HE1      PHE  10  -0.852  -2.154   1.211
  534    HE2  PHE  10           HE2      PHE  10  -0.198  -4.666   4.658
  535    HZ   PHE  10           HZ       PHE  10  -0.344  -2.399   3.639
  536    H    LEU  11           H        LEU  11  -4.007  -6.957  -1.029
  537    HA   LEU  11           HA       LEU  11  -5.272  -4.583   0.247
  538   1HB   LEU  11          1HB       LEU  11  -5.437  -5.699  -2.571
  539   2HB   LEU  11          2HB       LEU  11  -5.979  -4.104  -2.049
  540    HG   LEU  11           HG       LEU  11  -3.118  -5.054  -1.769
  541   1HD1  LEU  11          1HD1      LEU  11  -4.294  -4.697  -4.173
  542   2HD1  LEU  11          2HD1      LEU  11  -2.612  -4.265  -3.859
  543   3HD1  LEU  11          3HD1      LEU  11  -3.864  -3.025  -3.808
  544   1HD2  LEU  11          1HD2      LEU  11  -3.634  -2.197  -2.011
  545   2HD2  LEU  11          2HD2      LEU  11  -2.769  -3.070  -0.745
  546   3HD2  LEU  11          3HD2      LEU  11  -4.523  -2.899  -0.658
  547    H    ASN  12           H        ASN  12  -5.964  -7.377   1.064
  548    HA   ASN  12           HA       ASN  12  -8.512  -8.098  -0.104
  549   1HB   ASN  12          1HB       ASN  12  -6.617  -9.141   1.687
  550   2HB   ASN  12          2HB       ASN  12  -8.086  -8.957   2.646
  551   1HD2  ASN  12          1HD2      ASN  12  -7.258 -10.053  -0.705
  552   2HD2  ASN  12          2HD2      ASN  12  -8.288 -11.402  -0.668
  553    H    ARG  13           H        ARG  13  -7.523  -6.015   2.576
  554    HA   ARG  13           HA       ARG  13 -10.240  -5.702   3.612
  555   1HB   ARG  13          1HB       ARG  13  -7.824  -5.499   4.709
  556   2HB   ARG  13          2HB       ARG  13  -7.994  -3.817   4.200
  557   1HG   ARG  13          1HG       ARG  13 -10.070  -3.596   5.442
  558   2HG   ARG  13          2HG       ARG  13 -10.050  -5.312   5.851
  559   1HD   ARG  13          1HD       ARG  13  -8.405  -5.050   7.452
  560   2HD   ARG  13          2HD       ARG  13  -7.651  -3.688   6.601
  561    HE   ARG  13           HE       ARG  13  -9.758  -2.378   7.273
  562   1HH1  ARG  13          1HH1      ARG  13 -10.160  -5.317   8.671
  563   2HH1  ARG  13          2HH1      ARG  13 -10.190  -4.772  10.315
  564   1HH2  ARG  13          1HH2      ARG  13  -9.111  -1.566   9.541
  565   2HH2  ARG  13          2HH2      ARG  13  -9.596  -2.644  10.808
  566    H    TRP  14           H        TRP  14  -8.243  -4.160   1.225
  567    HA   TRP  14           HA       TRP  14  -9.468  -1.577   1.125
  568   1HB   TRP  14          1HB       TRP  14  -8.035  -3.362  -0.850
  569   2HB   TRP  14          2HB       TRP  14  -8.529  -1.724  -1.242
  570    HD1  TRP  14           HD1      TRP  14  -7.185  -2.718   2.222
  571    HE1  TRP  14           HE1      TRP  14  -4.966  -1.467   2.615
  572    HE3  TRP  14           HE3      TRP  14  -6.611  -0.576  -2.352
  573    HZ2  TRP  14           HZ2      TRP  14  -3.157   0.245   1.154
  574    HZ3  TRP  14           HZ3      TRP  14  -4.631   0.866  -2.856
  575    HH2  TRP  14           HH2      TRP  14  -2.909   1.278  -1.101
  576    HA   PRO  15           HA       PRO  15 -13.370  -2.894  -0.518
  577   1HB   PRO  15          1HB       PRO  15 -14.300  -0.465  -1.373
  578   2HB   PRO  15          2HB       PRO  15 -14.310  -0.982   0.322
  579   1HG   PRO  15          1HG       PRO  15 -12.420   0.823  -1.096
  580   2HG   PRO  15          2HG       PRO  15 -13.050   0.931   0.553
  581   1HD   PRO  15          1HD       PRO  15 -10.550   0.017  -0.045
  582   2HD   PRO  15          2HD       PRO  15 -11.460  -0.484   1.396
  583    H    ARG  16           H        ARG  16 -14.330  -3.231  -2.543
  584    HA   ARG  16           HA       ARG  16 -12.700  -3.624  -4.781
  585   1HB   ARG  16          1HB       ARG  16 -15.320  -4.047  -3.955
  586   2HB   ARG  16          2HB       ARG  16 -15.490  -3.010  -5.368
  587   1HG   ARG  16          1HG       ARG  16 -13.820  -4.572  -6.503
  588   2HG   ARG  16          2HG       ARG  16 -14.120  -5.670  -5.157
  589   1HD   ARG  16          1HD       ARG  16 -16.600  -4.620  -6.327
  590   2HD   ARG  16          2HD       ARG  16 -15.640  -5.566  -7.479
  591    HE   ARG  16           HE       ARG  16 -15.890  -6.756  -4.800
  592   1HH1  ARG  16          1HH1      ARG  16 -18.640  -6.622  -5.941
  593   2HH1  ARG  16          2HH1      ARG  16 -18.750  -8.106  -6.828
  594   1HH2  ARG  16          1HH2      ARG  16 -15.320  -8.637  -6.848
  595   2HH2  ARG  16          2HH2      ARG  16 -16.860  -9.245  -7.346
  596    H    GLU  17           H        GLU  17 -14.810  -0.896  -4.021
  597    HA   GLU  17           HA       GLU  17 -14.630   0.555  -6.428
  598   1HB   GLU  17          1HB       GLU  17 -14.810   1.474  -3.544
  599   2HB   GLU  17          2HB       GLU  17 -15.170   2.494  -4.936
  600   1HG   GLU  17          1HG       GLU  17 -17.250   1.639  -5.054
  601   2HG   GLU  17          2HG       GLU  17 -16.580   0.015  -5.235
  602    H    VAL  18           H        VAL  18 -12.400   0.630  -3.623
  603    HA   VAL  18           HA       VAL  18 -10.730   2.720  -4.789
  604    HB   VAL  18           HB       VAL  18 -10.300   0.732  -2.530
  605   1HG1  VAL  18          1HG1      VAL  18  -8.664   2.976  -3.633
  606   2HG1  VAL  18          2HG1      VAL  18  -8.142   1.462  -2.893
  607   3HG1  VAL  18          3HG1      VAL  18  -8.721   2.783  -1.880
  608   1HG2  VAL  18          1HG2      VAL  18 -11.080   3.666  -2.466
  609   2HG2  VAL  18          2HG2      VAL  18 -10.990   2.564  -1.093
  610   3HG2  VAL  18          3HG2      VAL  18 -12.240   2.340  -2.325
  611    H    LEU  19           H        LEU  19 -10.260  -0.803  -4.320
  612    HA   LEU  19           HA       LEU  19  -7.729  -1.069  -5.485
  613   1HB   LEU  19          1HB       LEU  19 -10.160  -2.763  -5.145
  614   2HB   LEU  19          2HB       LEU  19  -8.864  -3.387  -6.158
  615    HG   LEU  19           HG       LEU  19  -8.399  -2.308  -3.371
  616   1HD1  LEU  19          1HD1      LEU  19  -8.702  -4.425  -2.463
  617   2HD1  LEU  19          2HD1      LEU  19  -8.421  -5.237  -4.002
  618   3HD1  LEU  19          3HD1      LEU  19  -9.957  -4.426  -3.702
  619   1HD2  LEU  19          1HD2      LEU  19  -6.615  -2.719  -5.354
  620   2HD2  LEU  19          2HD2      LEU  19  -6.681  -4.353  -4.691
  621   3HD2  LEU  19          3HD2      LEU  19  -6.223  -3.000  -3.656
  622    H    ASP  20           H        ASP  20 -10.880  -0.868  -7.063
  623    HA   ASP  20           HA       ASP  20 -10.060  -1.566  -9.701
  624   1HB   ASP  20          1HB       ASP  20 -12.400  -1.295  -8.671
  625   2HB   ASP  20          2HB       ASP  20 -12.200   0.435  -8.954
  626    H    LEU  21           H        LEU  21 -10.100   1.516  -7.963
  627    HA   LEU  21           HA       LEU  21  -9.347   3.179 -10.200
  628   1HB   LEU  21          1HB       LEU  21 -10.440   4.065  -8.238
  629   2HB   LEU  21          2HB       LEU  21  -9.195   3.408  -7.179
  630    HG   LEU  21           HG       LEU  21  -7.530   4.918  -8.183
  631   1HD1  LEU  21          1HD1      LEU  21  -8.290   6.681  -9.747
  632   2HD1  LEU  21          2HD1      LEU  21  -9.897   5.956  -9.774
  633   3HD1  LEU  21          3HD1      LEU  21  -8.519   5.073 -10.433
  634   1HD2  LEU  21          1HD2      LEU  21  -8.760   7.118  -7.493
  635   2HD2  LEU  21          2HD2      LEU  21  -8.521   5.864  -6.275
  636   3HD2  LEU  21          3HD2      LEU  21 -10.080   6.042  -7.061
  637    H    VAL  22           H        VAL  22  -7.522   1.536  -7.615
  638    HA   VAL  22           HA       VAL  22  -4.943   2.586  -8.144
  639    HB   VAL  22           HB       VAL  22  -5.750  -0.196  -7.234
  640   1HG1  VAL  22          1HG1      VAL  22  -3.616  -0.270  -6.146
  641   2HG1  VAL  22          2HG1      VAL  22  -3.315   1.436  -6.474
  642   3HG1  VAL  22          3HG1      VAL  22  -3.308   0.270  -7.797
  643   1HG2  VAL  22          1HG2      VAL  22  -5.086   1.580  -5.084
  644   2HG2  VAL  22          2HG2      VAL  22  -6.623   0.771  -5.394
  645   3HG2  VAL  22          3HG2      VAL  22  -6.308   2.362  -6.087
  646    H    ARG  23           H        ARG  23  -6.486  -0.389  -9.432
  647    HA   ARG  23           HA       ARG  23  -4.376  -1.345 -11.031
  648   1HB   ARG  23          1HB       ARG  23  -7.347  -1.300 -11.657
  649   2HB   ARG  23          2HB       ARG  23  -6.172  -2.457 -12.281
  650   1HG   ARG  23          1HG       ARG  23  -5.783  -2.594  -9.547
  651   2HG   ARG  23          2HG       ARG  23  -7.528  -2.399  -9.690
  652   1HD   ARG  23          1HD       ARG  23  -5.943  -4.455 -11.265
  653   2HD   ARG  23          2HD       ARG  23  -6.818  -4.809  -9.761
  654    HE   ARG  23           HE       ARG  23  -8.767  -3.585 -11.176
  655   1HH1  ARG  23          1HH1      ARG  23  -7.367  -6.597 -11.261
  656   2HH1  ARG  23          2HH1      ARG  23  -7.951  -7.036 -12.831
  657   1HH2  ARG  23          1HH2      ARG  23  -9.135  -3.864 -13.571
  658   2HH2  ARG  23          2HH2      ARG  23  -8.953  -5.491 -14.137
  659    H    LYS  24           H        LYS  24  -6.975   0.921 -11.982
  660    HA   LYS  24           HA       LYS  24  -6.070   1.361 -14.657
  661   1HB   LYS  24          1HB       LYS  24  -7.979   2.447 -12.720
  662   2HB   LYS  24          2HB       LYS  24  -7.355   3.682 -13.814
  663   1HG   LYS  24          1HG       LYS  24  -7.801   1.694 -15.590
  664   2HG   LYS  24          2HG       LYS  24  -9.051   1.315 -14.404
  665   1HD   LYS  24          1HD       LYS  24  -9.023   4.154 -14.828
  666   2HD   LYS  24          2HD       LYS  24  -9.097   3.348 -16.396
  667   1HE   LYS  24          1HE       LYS  24 -10.910   2.565 -14.095
  668   2HE   LYS  24          2HE       LYS  24 -11.360   3.783 -15.303
  669   1HZ   LYS  24          1HZ       LYS  24 -12.100   1.723 -16.155
  670   2HZ   LYS  24          2HZ       LYS  24 -10.640   0.943 -15.764
  671   3HZ   LYS  24          3HZ       LYS  24 -10.680   2.090 -17.016
  672    H    VAL  25           H        VAL  25  -5.092   2.792 -11.587
  673    HA   VAL  25           HA       VAL  25  -3.653   5.030 -12.780
  674    HB   VAL  25           HB       VAL  25  -3.504   3.727 -10.040
  675   1HG1  VAL  25          1HG1      VAL  25  -2.907   6.599 -10.752
  676   2HG1  VAL  25          2HG1      VAL  25  -1.654   5.358 -10.780
  677   3HG1  VAL  25          3HG1      VAL  25  -2.495   5.731  -9.274
  678   1HG2  VAL  25          1HG2      VAL  25  -5.709   4.876 -11.228
  679   2HG2  VAL  25          2HG2      VAL  25  -4.987   6.247 -10.386
  680   3HG2  VAL  25          3HG2      VAL  25  -5.432   4.796  -9.488
  681    H    ALA  26           H        ALA  26  -2.856   1.720 -11.870
  682    HA   ALA  26           HA       ALA  26   0.028   2.068 -11.991
  683   1HB   ALA  26          1HB       ALA  26  -0.367  -0.574 -12.320
  684   2HB   ALA  26          2HB       ALA  26  -1.987  -0.131 -11.782
  685   3HB   ALA  26          3HB       ALA  26  -0.593   0.207 -10.755
  686    H    GLU  27           H        GLU  27  -2.448   0.759 -14.210
  687    HA   GLU  27           HA       GLU  27  -0.585   0.247 -16.368
  688   1HB   GLU  27          1HB       GLU  27  -3.469   0.127 -15.785
  689   2HB   GLU  27          2HB       GLU  27  -3.102   0.489 -17.472
  690   1HG   GLU  27          1HG       GLU  27  -2.085  -1.549 -17.834
  691   2HG   GLU  27          2HG       GLU  27  -1.543  -1.694 -16.161
  692    H    GLU  28           H        GLU  28  -2.001   3.132 -15.125
  693    HA   GLU  28           HA       GLU  28  -2.135   4.596 -17.650
  694   1HB   GLU  28          1HB       GLU  28  -2.526   5.044 -14.736
  695   2HB   GLU  28          2HB       GLU  28  -2.109   6.470 -15.687
  696   1HG   GLU  28          1HG       GLU  28  -4.258   4.596 -16.644
  697   2HG   GLU  28          2HG       GLU  28  -4.628   5.825 -15.434
  698    H    ASN  29           H        ASN  29  -0.038   4.946 -14.759
  699    HA   ASN  29           HA       ASN  29   1.881   6.647 -16.050
  700   1HB   ASN  29          1HB       ASN  29   1.675   4.992 -13.559
  701   2HB   ASN  29          2HB       ASN  29   3.256   5.637 -14.002
  702   1HD2  ASN  29          1HD2      ASN  29   0.078   6.489 -12.792
  703   2HD2  ASN  29          2HD2      ASN  29   0.392   8.143 -12.571
  704    H    GLY  30           H        GLY  30   1.421   3.188 -16.034
  705   1HA   GLY  30          1HA       GLY  30   2.485   1.823 -17.759
  706   2HA   GLY  30          2HA       GLY  30   3.870   2.913 -17.712
  707    H    ARG  31           H        ARG  31   2.592   2.089 -14.626
  708    HA   ARG  31           HA       ARG  31   4.863   0.169 -14.227
  709   1HB   ARG  31          1HB       ARG  31   3.478   2.014 -12.253
  710   2HB   ARG  31          2HB       ARG  31   4.927   1.058 -11.946
  711   1HG   ARG  31          1HG       ARG  31   6.015   2.324 -13.874
  712   2HG   ARG  31          2HG       ARG  31   4.624   3.410 -13.824
  713   1HD   ARG  31          1HD       ARG  31   5.124   3.731 -11.335
  714   2HD   ARG  31          2HD       ARG  31   6.673   2.923 -11.645
  715    HE   ARG  31           HE       ARG  31   5.959   5.149 -13.459
  716   1HH1  ARG  31          1HH1      ARG  31   8.746   4.226 -13.298
  717   2HH1  ARG  31          2HH1      ARG  31   9.478   5.363 -12.216
  718   1HH2  ARG  31          1HH2      ARG  31   6.459   6.514 -10.960
  719   2HH2  ARG  31          2HH2      ARG  31   8.184   6.659 -10.894
  720    H    SER  32           H        SER  32   4.086  -0.751 -11.709
  721    HA   SER  32           HA       SER  32   1.675  -2.373 -12.383
  722   1HB   SER  32          1HB       SER  32   3.989  -2.702 -10.449
  723   2HB   SER  32          2HB       SER  32   2.641  -3.831 -10.555
  724    HG   SER  32           HG       SER  32   4.775  -3.972 -11.936
  725    H    VAL  33           H        VAL  33   0.627  -3.076 -10.061
  726    HA   VAL  33           HA       VAL  33  -0.443  -0.597  -8.957
  727    HB   VAL  33           HB       VAL  33  -0.858  -3.538  -8.341
  728   1HG1  VAL  33          1HG1      VAL  33  -3.083  -1.744  -7.840
  729   2HG1  VAL  33          2HG1      VAL  33  -1.671  -1.281  -6.892
  730   3HG1  VAL  33          3HG1      VAL  33  -2.328  -2.912  -6.755
  731   1HG2  VAL  33          1HG2      VAL  33  -2.089  -1.567 -10.264
  732   2HG2  VAL  33          2HG2      VAL  33  -3.007  -2.965  -9.698
  733   3HG2  VAL  33          3HG2      VAL  33  -1.498  -3.198 -10.586
  734    H    ASN  34           H        ASN  34   2.132  -2.767  -8.157
  735    HA   ASN  34           HA       ASN  34   2.154  -2.215  -5.274
  736   1HB   ASN  34          1HB       ASN  34   3.091  -4.232  -6.629
  737   2HB   ASN  34          2HB       ASN  34   4.452  -3.172  -6.995
  738   1HD2  ASN  34          1HD2      ASN  34   5.815  -4.689  -5.671
  739   2HD2  ASN  34          2HD2      ASN  34   5.777  -4.577  -3.979
  740    H    SER  35           H        SER  35   3.613  -0.901  -8.201
  741    HA   SER  35           HA       SER  35   5.437   0.895  -6.778
  742   1HB   SER  35          1HB       SER  35   5.934  -0.006  -9.008
  743   2HB   SER  35          2HB       SER  35   4.458   0.711  -9.649
  744    HG   SER  35           HG       SER  35   6.871   1.813  -9.354
  745    H    GLU  36           H        GLU  36   2.237   1.095  -8.323
  746    HA   GLU  36           HA       GLU  36   1.910   3.936  -8.168
  747   1HB   GLU  36          1HB       GLU  36   0.593   1.745  -9.177
  748   2HB   GLU  36          2HB       GLU  36  -0.446   2.183  -7.820
  749   1HG   GLU  36          1HG       GLU  36  -1.213   3.397  -9.751
  750   2HG   GLU  36          2HG       GLU  36  -0.430   4.544  -8.667
  751    H    ILE  37           H        ILE  37   0.760   1.305  -6.025
  752    HA   ILE  37           HA       ILE  37  -0.329   2.990  -3.982
  753    HB   ILE  37           HB       ILE  37   0.831   0.181  -3.958
  754   1HG1  ILE  37          1HG1      ILE  37  -1.056   0.598  -5.545
  755   2HG1  ILE  37          2HG1      ILE  37  -1.484  -0.531  -4.260
  756   1HG2  ILE  37          1HG2      ILE  37  -1.166   0.332  -2.032
  757   2HG2  ILE  37          2HG2      ILE  37  -0.291   1.851  -1.833
  758   3HG2  ILE  37          3HG2      ILE  37   0.570   0.315  -1.716
  759   1HD1  ILE  37          1HD1      ILE  37  -2.194   2.414  -4.402
  760   2HD1  ILE  37          2HD1      ILE  37  -2.483   1.398  -2.989
  761   3HD1  ILE  37          3HD1      ILE  37  -3.305   1.048  -4.511
  762    H    TYR  38           H        TYR  38   2.926   1.747  -4.601
  763    HA   TYR  38           HA       TYR  38   4.099   2.391  -2.069
  764   1HB   TYR  38          1HB       TYR  38   5.062   0.866  -3.738
  765   2HB   TYR  38          2HB       TYR  38   5.233   2.202  -4.878
  766    HD1  TYR  38           HD1      TYR  38   7.491   2.747  -5.123
  767    HD2  TYR  38           HD2      TYR  38   5.921   1.883  -1.205
  768    HE1  TYR  38           HE1      TYR  38   9.698   3.332  -4.115
  769    HE2  TYR  38           HE2      TYR  38   8.124   2.467  -0.187
  770    HH   TYR  38           HH       TYR  38  10.964   2.821  -2.033
  771    H    GLN  39           H        GLN  39   3.552   4.275  -5.024
  772    HA   GLN  39           HA       GLN  39   5.182   6.540  -4.212
  773   1HB   GLN  39          1HB       GLN  39   3.684   5.613  -6.452
  774   2HB   GLN  39          2HB       GLN  39   3.059   7.210  -6.038
  775   1HG   GLN  39          1HG       GLN  39   4.831   7.824  -7.395
  776   2HG   GLN  39          2HG       GLN  39   5.648   7.784  -5.832
  777   1HE2  GLN  39          1HE2      GLN  39   7.721   7.045  -6.499
  778   2HE2  GLN  39          2HE2      GLN  39   7.978   5.552  -7.266
  779    H    ARG  40           H        ARG  40   1.669   5.870  -4.209
  780    HA   ARG  40           HA       ARG  40   0.824   8.334  -3.041
  781   1HB   ARG  40          1HB       ARG  40  -0.320   5.524  -2.857
  782   2HB   ARG  40          2HB       ARG  40  -1.217   7.010  -2.545
  783   1HG   ARG  40          1HG       ARG  40  -0.598   7.744  -4.899
  784   2HG   ARG  40          2HG       ARG  40  -0.008   6.104  -5.169
  785   1HD   ARG  40          1HD       ARG  40  -2.302   5.267  -4.460
  786   2HD   ARG  40          2HD       ARG  40  -2.847   6.955  -4.522
  787    HE   ARG  40           HE       ARG  40  -2.333   5.300  -6.824
  788   1HH1  ARG  40          1HH1      ARG  40  -3.642   8.172  -6.152
  789   2HH1  ARG  40          2HH1      ARG  40  -2.889   9.084  -7.418
  790   1HH2  ARG  40          1HH2      ARG  40  -0.609   6.595  -8.213
  791   2HH2  ARG  40          2HH2      ARG  40  -1.175   8.189  -8.589
  792    H    VAL  41           H        VAL  41   2.344   5.505  -1.685
  793    HA   VAL  41           HA       VAL  41   1.642   6.182   1.104
  794    HB   VAL  41           HB       VAL  41   3.334   4.079  -0.284
  795   1HG1  VAL  41          1HG1      VAL  41   4.283   4.522   1.941
  796   2HG1  VAL  41          2HG1      VAL  41   3.466   2.961   1.918
  797   3HG1  VAL  41          3HG1      VAL  41   2.684   4.352   2.667
  798   1HG2  VAL  41          1HG2      VAL  41   1.035   3.296   1.365
  799   2HG2  VAL  41          2HG2      VAL  41   1.458   2.808  -0.276
  800   3HG2  VAL  41          3HG2      VAL  41   0.598   4.324   0.002
  801    H    MET  42           H        MET  42   4.286   6.555  -1.167
  802    HA   MET  42           HA       MET  42   6.290   7.309   0.808
  803   1HB   MET  42          1HB       MET  42   6.054   6.675  -1.972
  804   2HB   MET  42          2HB       MET  42   6.854   8.239  -1.844
  805   1HG   MET  42          1HG       MET  42   7.908   6.466   0.164
  806   2HG   MET  42          2HG       MET  42   7.983   5.673  -1.407
  807   1HE   MET  42          1HE       MET  42   8.798   6.567  -3.423
  808   2HE   MET  42          2HE       MET  42  10.291   5.936  -2.732
  809   3HE   MET  42          3HE       MET  42  10.297   7.499  -3.546
  810    H    GLU  43           H        GLU  43   3.737   8.943  -0.899
  811    HA   GLU  43           HA       GLU  43   4.887  11.623  -0.705
  812   1HB   GLU  43          1HB       GLU  43   2.167  10.453  -1.339
  813   2HB   GLU  43          2HB       GLU  43   2.480  12.189  -1.368
  814   1HG   GLU  43          1HG       GLU  43   4.562  10.818  -2.813
  815   2HG   GLU  43          2HG       GLU  43   2.990  10.315  -3.432
  816    H    SER  44           H        SER  44   3.119   9.518   1.419
  817    HA   SER  44           HA       SER  44   1.970  11.637   3.079
  818   1HB   SER  44          1HB       SER  44   1.513   8.971   2.636
  819   2HB   SER  44          2HB       SER  44   2.371   8.917   4.173
  820    HG   SER  44           HG       SER  44   0.725   9.845   5.118
  821    H    PHE  45           H        PHE  45   4.682   9.321   3.423
  822    HA   PHE  45           HA       PHE  45   5.577  10.298   5.974
  823   1HB   PHE  45          1HB       PHE  45   6.904   8.796   3.699
  824   2HB   PHE  45          2HB       PHE  45   7.643   9.015   5.285
  825    HD1  PHE  45           HD1      PHE  45   6.008   6.657   3.421
  826    HD2  PHE  45           HD2      PHE  45   5.668   8.607   7.256
  827    HE1  PHE  45           HE1      PHE  45   4.726   4.707   4.298
  828    HE2  PHE  45           HE2      PHE  45   4.385   6.658   8.133
  829    HZ   PHE  45           HZ       PHE  45   3.918   4.706   6.656
  830    H    LYS  46           H        LYS  46   5.801  11.677   2.833
  831    HA   LYS  46           HA       LYS  46   8.357  13.030   3.153
  832   1HB   LYS  46          1HB       LYS  46   6.007  13.059   1.296
  833   2HB   LYS  46          2HB       LYS  46   7.134  14.415   1.231
  834   1HG   LYS  46          1HG       LYS  46   8.106  11.558   1.168
  835   2HG   LYS  46          2HG       LYS  46   7.628  12.401  -0.305
  836   1HD   LYS  46          1HD       LYS  46   9.220  14.281   0.499
  837   2HD   LYS  46          2HD       LYS  46   9.881  13.060   1.586
  838   1HE   LYS  46          1HE       LYS  46   9.928  11.609  -0.664
  839   2HE   LYS  46          2HE       LYS  46  10.046  13.222  -1.394
  840   1HZ   LYS  46          1HZ       LYS  46  11.810  13.738   0.223
  841   2HZ   LYS  46          2HZ       LYS  46  12.242  12.461  -0.812
  842   3HZ   LYS  46          3HZ       LYS  46  11.756  12.137   0.783
  843    H    LYS  47           H        LYS  47   4.952  13.917   3.702
  844    HA   LYS  47           HA       LYS  47   5.245  16.685   4.189
  845   1HB   LYS  47          1HB       LYS  47   3.421  14.481   5.094
  846   2HB   LYS  47          2HB       LYS  47   3.262  16.068   5.849
  847   1HG   LYS  47          1HG       LYS  47   2.666  17.111   3.843
  848   2HG   LYS  47          2HG       LYS  47   3.397  15.845   2.853
  849   1HD   LYS  47          1HD       LYS  47   1.117  15.364   2.647
  850   2HD   LYS  47          2HD       LYS  47   1.600  14.301   3.970
  851   1HE   LYS  47          1HE       LYS  47   0.791  15.930   5.619
  852   2HE   LYS  47          2HE       LYS  47   0.364  17.059   4.318
  853   1HZ   LYS  47          1HZ       LYS  47  -1.600  15.892   4.692
  854   2HZ   LYS  47          2HZ       LYS  47  -0.802  14.409   4.913
  855   3HZ   LYS  47          3HZ       LYS  47  -0.925  15.089   3.360
  856    H    GLU  48           H        GLU  48   5.345  14.019   6.591
  857    HA   GLU  48           HA       GLU  48   6.111  15.700   8.801
  858   1HB   GLU  48          1HB       GLU  48   5.709  12.873   8.142
  859   2HB   GLU  48          2HB       GLU  48   6.991  13.115   9.330
  860   1HG   GLU  48          1HG       GLU  48   5.449  13.475  10.925
  861   2HG   GLU  48          2HG       GLU  48   4.831  14.854  10.014
  862    H    GLY  49           H        GLY  49   8.074  13.228   7.102
  863   1HA   GLY  49          1HA       GLY  49  10.278  14.068   6.151
  864   2HA   GLY  49          2HA       GLY  49  10.475  14.915   7.685
  865    H    ARG  50           H        ARG  50   9.163  11.647   7.335
  866    HA   ARG  50           HA       ARG  50  11.138  10.634   9.260
  867   1HB   ARG  50          1HB       ARG  50   8.530   9.979   8.226
  868   2HB   ARG  50          2HB       ARG  50   9.577   8.568   8.075
  869   1HG   ARG  50          1HG       ARG  50   9.515   8.204  10.297
  870   2HG   ARG  50          2HG       ARG  50   9.996   9.867  10.631
  871   1HD   ARG  50          1HD       ARG  50   7.316  10.023   9.745
  872   2HD   ARG  50          2HD       ARG  50   7.376   8.672  10.891
  873    HE   ARG  50           HE       ARG  50   8.212  11.468  11.498
  874   1HH1  ARG  50          1HH1      ARG  50   6.229   9.123  12.616
  875   2HH1  ARG  50          2HH1      ARG  50   6.874   9.038  14.222
  876   1HH2  ARG  50          1HH2      ARG  50   9.655  10.973  13.493
  877   2HH2  ARG  50          2HH2      ARG  50   8.814  10.083  14.717
  878    H    ILE  51           H        ILE  51  10.601  10.556   5.789
  879    HA   ILE  51           HA       ILE  51  12.941   8.706   5.477
  880    HB   ILE  51           HB       ILE  51  11.912   8.287   3.235
  881   1HG1  ILE  51          1HG1      ILE  51   9.578   9.924   4.254
  882   2HG1  ILE  51          2HG1      ILE  51  10.815  10.602   3.194
  883   1HG2  ILE  51          1HG2      ILE  51   9.743   7.973   5.295
  884   2HG2  ILE  51          2HG2      ILE  51  11.264   7.100   5.477
  885   3HG2  ILE  51          3HG2      ILE  51  10.262   6.838   4.050
  886   1HD1  ILE  51          1HD1      ILE  51  10.241   9.183   1.408
  887   2HD1  ILE  51          2HD1      ILE  51   8.675   9.602   2.103
  888   3HD1  ILE  51          3HD1      ILE  51   9.410   8.039   2.464
  889    H    GLY  52           H        GLY  52  14.293   9.231   3.486
  890   1HA   GLY  52          1HA       GLY  52  14.182  11.818   2.251
  891   2HA   GLY  52          2HA       GLY  52  15.344  11.846   3.579
  892    H    ALA  53           H        ALA  53  14.629   9.096   1.452
  893    HA   ALA  53           HA       ALA  53  17.505   9.138   0.613
  894   1HB   ALA  53          1HB       ALA  53  15.778   6.751   0.217
  895   2HB   ALA  53          2HB       ALA  53  16.075   7.218   1.891
  896   3HB   ALA  53          3HB       ALA  53  17.430   6.851   0.823
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  16.861 -22.044   4.824
    2   2H    MET   1          2H        MET   1  16.144 -23.399   5.556
    3   3H    MET   1          3H        MET   1  16.810 -22.166   6.515
    4    HA   MET   1           HA       MET   1  15.095 -20.663   6.006
    5   1HB   MET   1          1HB       MET   1  13.589 -21.129   4.104
    6   2HB   MET   1          2HB       MET   1  15.274 -21.154   3.583
    7   1HG   MET   1          1HG       MET   1  15.278 -23.635   3.819
    8   2HG   MET   1          2HG       MET   1  13.565 -23.572   4.235
    9   1HE   MET   1          1HE       MET   1  14.337 -25.345   2.538
   10   2HE   MET   1          2HE       MET   1  14.569 -25.091   0.810
   11   3HE   MET   1          3HE       MET   1  12.938 -25.199   1.467
   12    H    LYS   2           H        LYS   2  13.205 -20.766   7.240
   13    HA   LYS   2           HA       LYS   2  11.628 -23.183   7.548
   14   1HB   LYS   2          1HB       LYS   2  14.033 -22.838   9.096
   15   2HB   LYS   2          2HB       LYS   2  12.641 -22.799  10.179
   16   1HG   LYS   2          1HG       LYS   2  12.080 -24.979   9.758
   17   2HG   LYS   2          2HG       LYS   2  12.600 -24.895   8.075
   18   1HD   LYS   2          1HD       LYS   2  14.997 -24.762   8.997
   19   2HD   LYS   2          2HD       LYS   2  14.307 -25.277  10.536
   20   1HE   LYS   2          1HE       LYS   2  13.225 -27.210   9.178
   21   2HE   LYS   2          2HE       LYS   2  14.418 -26.798   7.930
   22   1HZ   LYS   2          1HZ       LYS   2  15.137 -27.186  10.781
   23   2HZ   LYS   2          2HZ       LYS   2  16.185 -27.083   9.448
   24   3HZ   LYS   2          3HZ       LYS   2  15.189 -28.446   9.647
   25    H    GLY   3           H        GLY   3  10.299 -21.120   6.979
   26   1HA   GLY   3          1HA       GLY   3   8.627 -20.386   9.093
   27   2HA   GLY   3          2HA       GLY   3   9.871 -19.137   9.038
   28    H    MET   4           H        MET   4   7.505 -18.116   8.531
   29    HA   MET   4           HA       MET   4   7.005 -18.198   5.592
   30   1HB   MET   4          1HB       MET   4   5.494 -17.033   7.955
   31   2HB   MET   4          2HB       MET   4   4.921 -16.994   6.286
   32   1HG   MET   4          1HG       MET   4   4.270 -19.162   6.345
   33   2HG   MET   4          2HG       MET   4   5.757 -19.670   7.146
   34   1HE   MET   4          1HE       MET   4   6.107 -19.433   9.928
   35   2HE   MET   4          2HE       MET   4   5.673 -20.837   8.957
   36   3HE   MET   4          3HE       MET   4   4.833 -20.531  10.474
   37    H    SER   5           H        SER   5   9.326 -16.770   6.950
   38    HA   SER   5           HA       SER   5  10.422 -14.682   6.780
   39   1HB   SER   5          1HB       SER   5   8.436 -14.131   4.574
   40   2HB   SER   5          2HB       SER   5  10.141 -13.695   4.648
   41    HG   SER   5           HG       SER   5   9.957 -15.467   3.322
   42    H    LYS   6           H        LYS   6   9.817 -12.167   6.550
   43    HA   LYS   6           HA       LYS   6   7.513 -11.706   8.405
   44   1HB   LYS   6          1HB       LYS   6  10.037 -10.141   7.776
   45   2HB   LYS   6          2HB       LYS   6   8.799  -9.609   8.915
   46   1HG   LYS   6          1HG       LYS   6   9.174 -12.018   9.948
   47   2HG   LYS   6          2HG       LYS   6  10.740 -11.881   9.147
   48   1HD   LYS   6          1HD       LYS   6  11.338 -10.822  11.081
   49   2HD   LYS   6          2HD       LYS   6  10.578  -9.431  10.306
   50   1HE   LYS   6          1HE       LYS   6   8.431 -10.798  11.464
   51   2HE   LYS   6          2HE       LYS   6   9.721 -10.893  12.681
   52   1HZ   LYS   6          1HZ       LYS   6  10.100  -8.534  12.451
   53   2HZ   LYS   6          2HZ       LYS   6   8.466  -8.802  12.834
   54   3HZ   LYS   6          3HZ       LYS   6   8.916  -8.418  11.242
   55    H    MET   7           H        MET   7   6.520  -9.432   8.073
   56    HA   MET   7           HA       MET   7   5.297  -7.959   6.698
   57   1HB   MET   7          1HB       MET   7   7.990  -8.305   5.580
   58   2HB   MET   7          2HB       MET   7   6.806  -7.777   4.384
   59   1HG   MET   7          1HG       MET   7   6.481  -5.753   5.399
   60   2HG   MET   7          2HG       MET   7   6.682  -6.422   7.020
   61   1HE   MET   7          1HE       MET   7   8.377  -5.342   8.355
   62   2HE   MET   7          2HE       MET   7   7.853  -4.020   7.314
   63   3HE   MET   7          3HE       MET   7   9.567  -4.235   7.659
   64    HA   PRO   8           HA       PRO   8   2.965 -10.421   3.904
   65   1HB   PRO   8          1HB       PRO   8   1.839  -8.520   2.297
   66   2HB   PRO   8          2HB       PRO   8   1.348  -8.770   3.982
   67   1HG   PRO   8          1HG       PRO   8   3.073  -6.665   2.808
   68   2HG   PRO   8          2HG       PRO   8   1.938  -6.573   4.160
   69   1HD   PRO   8          1HD       PRO   8   4.678  -6.752   4.411
   70   2HD   PRO   8          2HD       PRO   8   3.509  -7.184   5.676
   71    H    GLN   9           H        GLN   9   2.761 -11.003   1.548
   72    HA   GLN   9           HA       GLN   9   5.343 -10.923   0.209
   73   1HB   GLN   9          1HB       GLN   9   2.575 -11.977  -0.390
   74   2HB   GLN   9          2HB       GLN   9   3.874 -12.100  -1.578
   75   1HG   GLN   9          1HG       GLN   9   4.060 -14.129  -0.414
   76   2HG   GLN   9          2HG       GLN   9   5.251 -13.112   0.398
   77   1HE2  GLN   9          1HE2      GLN   9   4.902 -12.617   2.614
   78   2HE2  GLN   9          2HE2      GLN   9   3.549 -13.148   3.489
   79    H    PHE  10           H        PHE  10   2.605  -8.833   0.224
   80    HA   PHE  10           HA       PHE  10   2.913  -7.839  -2.512
   81   1HB   PHE  10          1HB       PHE  10   0.761  -7.864  -1.332
   82   2HB   PHE  10          2HB       PHE  10   1.428  -6.836  -0.063
   83    HD1  PHE  10           HD1      PHE  10   1.602  -4.459  -0.336
   84    HD2  PHE  10           HD2      PHE  10   0.565  -6.974  -3.688
   85    HE1  PHE  10           HE1      PHE  10   1.036  -2.435  -1.678
   86    HE2  PHE  10           HE2      PHE  10   0.001  -4.950  -5.030
   87    HZ   PHE  10           HZ       PHE  10   0.235  -2.682  -4.024
   88    H    LEU  11           H        LEU  11   4.103  -6.976   0.693
   89    HA   LEU  11           HA       LEU  11   5.193  -4.404  -0.288
   90   1HB   LEU  11          1HB       LEU  11   5.006  -5.845   2.361
   91   2HB   LEU  11          2HB       LEU  11   5.932  -4.354   2.181
   92    HG   LEU  11           HG       LEU  11   3.008  -4.667   1.440
   93   1HD1  LEU  11          1HD1      LEU  11   4.312  -3.333   3.833
   94   2HD1  LEU  11          2HD1      LEU  11   3.339  -4.804   3.874
   95   3HD1  LEU  11          3HD1      LEU  11   2.594  -3.263   3.439
   96   1HD2  LEU  11          1HD2      LEU  11   3.895  -1.969   1.881
   97   2HD2  LEU  11          2HD2      LEU  11   3.251  -2.681   0.403
   98   3HD2  LEU  11          3HD2      LEU  11   4.983  -2.741   0.728
   99    H    ASN  12           H        ASN  12   6.203  -7.368  -0.897
  100    HA   ASN  12           HA       ASN  12   8.879  -7.502   0.178
  101   1HB   ASN  12          1HB       ASN  12   7.144  -9.128  -1.207
  102   2HB   ASN  12          2HB       ASN  12   8.338  -8.741  -2.445
  103   1HD2  ASN  12          1HD2      ASN  12   7.789 -10.539   0.501
  104   2HD2  ASN  12          2HD2      ASN  12   9.341 -11.218   0.611
  105    H    ARG  13           H        ARG  13   7.428  -5.823  -2.524
  106    HA   ARG  13           HA       ARG  13   9.942  -5.319  -3.932
  107   1HB   ARG  13          1HB       ARG  13   7.060  -4.833  -4.209
  108   2HB   ARG  13          2HB       ARG  13   8.045  -3.494  -4.800
  109   1HG   ARG  13          1HG       ARG  13   8.515  -4.661  -6.662
  110   2HG   ARG  13          2HG       ARG  13   9.268  -5.917  -5.679
  111   1HD   ARG  13          1HD       ARG  13   6.538  -6.365  -5.316
  112   2HD   ARG  13          2HD       ARG  13   6.679  -5.955  -7.037
  113    HE   ARG  13           HE       ARG  13   8.810  -7.649  -6.646
  114   1HH1  ARG  13          1HH1      ARG  13   6.093  -8.289  -8.019
  115   2HH1  ARG  13          2HH1      ARG  13   5.705  -9.786  -7.237
  116   1HH2  ARG  13          1HH2      ARG  13   8.044  -9.374  -4.710
  117   2HH2  ARG  13          2HH2      ARG  13   6.811 -10.399  -5.364
  118    H    TRP  14           H        TRP  14   8.153  -3.838  -1.354
  119    HA   TRP  14           HA       TRP  14   9.230  -1.160  -1.589
  120   1HB   TRP  14          1HB       TRP  14   7.889  -2.795   0.570
  121   2HB   TRP  14          2HB       TRP  14   8.335  -1.111   0.794
  122    HD1  TRP  14           HD1      TRP  14   6.998  -2.406  -2.567
  123    HE1  TRP  14           HE1      TRP  14   4.720  -1.289  -3.019
  124    HE3  TRP  14           HE3      TRP  14   6.347  -0.011   1.866
  125    HZ2  TRP  14           HZ2      TRP  14   2.840   0.417  -1.659
  126    HZ3  TRP  14           HZ3      TRP  14   4.301   1.362   2.296
  127    HH2  TRP  14           HH2      TRP  14   2.551   1.579   0.532
  128    HA   PRO  15           HA       PRO  15  13.211  -2.056   0.141
  129   1HB   PRO  15          1HB       PRO  15  13.894   0.455   0.987
  130   2HB   PRO  15          2HB       PRO  15  13.934  -0.040  -0.714
  131   1HG   PRO  15          1HG       PRO  15  11.879   1.537   0.751
  132   2HG   PRO  15          2HG       PRO  15  12.493   1.742  -0.896
  133   1HD   PRO  15          1HD       PRO  15  10.103   0.567  -0.324
  134   2HD   PRO  15          2HD       PRO  15  11.067   0.172  -1.764
  135    H    ARG  16           H        ARG  16  14.420  -1.528   2.316
  136    HA   ARG  16           HA       ARG  16  12.630  -2.237   4.498
  137   1HB   ARG  16          1HB       ARG  16  14.592  -3.366   4.761
  138   2HB   ARG  16          2HB       ARG  16  15.474  -2.237   3.752
  139   1HG   ARG  16          1HG       ARG  16  15.995  -0.836   5.528
  140   2HG   ARG  16          2HG       ARG  16  14.664  -1.422   6.524
  141   1HD   ARG  16          1HD       ARG  16  16.266  -2.692   7.555
  142   2HD   ARG  16          2HD       ARG  16  16.162  -3.720   6.111
  143    HE   ARG  16           HE       ARG  16  17.977  -2.265   5.123
  144   1HH1  ARG  16          1HH1      ARG  16  17.615  -0.388   7.626
  145   2HH1  ARG  16          2HH1      ARG  16  19.111  -0.709   8.435
  146   1HH2  ARG  16          1HH2      ARG  16  19.835  -3.528   6.549
  147   2HH2  ARG  16          2HH2      ARG  16  20.368  -2.486   7.826
  148    H    GLU  17           H        GLU  17  14.190   0.641   3.272
  149    HA   GLU  17           HA       GLU  17  14.136   2.212   5.680
  150   1HB   GLU  17          1HB       GLU  17  14.406   4.081   4.023
  151   2HB   GLU  17          2HB       GLU  17  15.528   2.749   3.749
  152   1HG   GLU  17          1HG       GLU  17  14.577   2.195   1.760
  153   2HG   GLU  17          2HG       GLU  17  12.942   2.466   2.359
  154    H    VAL  18           H        VAL  18  11.666   1.269   3.422
  155    HA   VAL  18           HA       VAL  18   9.832   3.413   4.388
  156    HB   VAL  18           HB       VAL  18   9.685   1.329   2.180
  157   1HG1  VAL  18          1HG1      VAL  18   7.754   3.309   1.741
  158   2HG1  VAL  18          2HG1      VAL  18   7.604   2.919   3.454
  159   3HG1  VAL  18          3HG1      VAL  18   7.451   1.646   2.243
  160   1HG2  VAL  18          1HG2      VAL  18   9.781   3.392   0.741
  161   2HG2  VAL  18          2HG2      VAL  18  11.245   3.125   1.685
  162   3HG2  VAL  18          3HG2      VAL  18  10.074   4.338   2.200
  163    H    LEU  19           H        LEU  19   9.984  -0.148   4.084
  164    HA   LEU  19           HA       LEU  19   7.540  -0.737   5.414
  165   1HB   LEU  19          1HB       LEU  19  10.156  -2.246   5.173
  166   2HB   LEU  19          2HB       LEU  19   8.635  -2.974   5.689
  167    HG   LEU  19           HG       LEU  19   8.978  -1.524   3.052
  168   1HD1  LEU  19          1HD1      LEU  19   9.156  -3.713   2.006
  169   2HD1  LEU  19          2HD1      LEU  19   8.978  -4.513   3.568
  170   3HD1  LEU  19          3HD1      LEU  19  10.425  -3.565   3.223
  171   1HD2  LEU  19          1HD2      LEU  19   6.868  -2.673   2.503
  172   2HD2  LEU  19          2HD2      LEU  19   6.672  -1.685   3.951
  173   3HD2  LEU  19          3HD2      LEU  19   6.859  -3.432   4.094
  174    H    ASP  20           H        ASP  20  10.685   0.139   6.656
  175    HA   ASP  20           HA       ASP  20  10.262  -0.837   9.361
  176   1HB   ASP  20          1HB       ASP  20  12.460  -0.387   8.217
  177   2HB   ASP  20          2HB       ASP  20  12.106   1.337   8.321
  178    H    LEU  21           H        LEU  21   9.616   2.176   7.650
  179    HA   LEU  21           HA       LEU  21   8.955   3.695  10.062
  180   1HB   LEU  21          1HB       LEU  21   9.888   4.705   8.023
  181   2HB   LEU  21          2HB       LEU  21   8.502   4.139   7.093
  182    HG   LEU  21           HG       LEU  21   7.131   5.467   8.927
  183   1HD1  LEU  21          1HD1      LEU  21   8.264   7.351   9.843
  184   2HD1  LEU  21          2HD1      LEU  21   9.681   7.085   8.829
  185   3HD1  LEU  21          3HD1      LEU  21   9.326   5.978  10.156
  186   1HD2  LEU  21          1HD2      LEU  21   7.300   7.483   7.447
  187   2HD2  LEU  21          2HD2      LEU  21   7.074   5.980   6.557
  188   3HD2  LEU  21          3HD2      LEU  21   8.670   6.722   6.639
  189    H    VAL  22           H        VAL  22   7.090   2.262   7.363
  190    HA   VAL  22           HA       VAL  22   4.481   2.963   8.105
  191    HB   VAL  22           HB       VAL  22   5.442   0.286   7.034
  192   1HG1  VAL  22          1HG1      VAL  22   2.945   0.853   7.724
  193   2HG1  VAL  22          2HG1      VAL  22   3.290  -0.038   6.242
  194   3HG1  VAL  22          3HG1      VAL  22   2.941   1.690   6.172
  195   1HG2  VAL  22          1HG2      VAL  22   6.257   1.414   5.256
  196   2HG2  VAL  22          2HG2      VAL  22   5.707   2.949   5.933
  197   3HG2  VAL  22          3HG2      VAL  22   4.621   1.990   4.927
  198    H    ARG  23           H        ARG  23   6.394   0.146   9.158
  199    HA   ARG  23           HA       ARG  23   4.552  -1.196  10.780
  200   1HB   ARG  23          1HB       ARG  23   6.792  -1.982  10.211
  201   2HB   ARG  23          2HB       ARG  23   7.519  -0.662  11.125
  202   1HG   ARG  23          1HG       ARG  23   6.173  -1.635  13.139
  203   2HG   ARG  23          2HG       ARG  23   6.077  -3.094  12.152
  204   1HD   ARG  23          1HD       ARG  23   8.767  -1.855  12.309
  205   2HD   ARG  23          2HD       ARG  23   8.168  -2.583  13.812
  206    HE   ARG  23           HE       ARG  23   8.119  -4.090  11.223
  207   1HH1  ARG  23          1HH1      ARG  23   7.253  -4.649  14.298
  208   2HH1  ARG  23          2HH1      ARG  23   8.389  -5.911  14.635
  209   1HH2  ARG  23          1HH2      ARG  23  10.264  -5.352  11.772
  210   2HH2  ARG  23          2HH2      ARG  23  10.094  -6.310  13.205
  211    H    LYS  24           H        LYS  24   6.984   1.112  12.050
  212    HA   LYS  24           HA       LYS  24   5.979   1.376  14.656
  213   1HB   LYS  24          1HB       LYS  24   7.698   2.841  12.776
  214   2HB   LYS  24          2HB       LYS  24   6.969   3.876  14.005
  215   1HG   LYS  24          1HG       LYS  24   7.756   1.623  15.434
  216   2HG   LYS  24          2HG       LYS  24   9.073   1.870  14.287
  217   1HD   LYS  24          1HD       LYS  24   9.168   4.270  14.983
  218   2HD   LYS  24          2HD       LYS  24   7.950   3.926  16.212
  219   1HE   LYS  24          1HE       LYS  24   9.508   2.149  17.134
  220   2HE   LYS  24          2HE       LYS  24  10.752   2.771  16.031
  221   1HZ   LYS  24          1HZ       LYS  24   9.215   4.487  17.903
  222   2HZ   LYS  24          2HZ       LYS  24  10.571   4.925  16.978
  223   3HZ   LYS  24          3HZ       LYS  24  10.738   3.840  18.275
  224    H    VAL  25           H        VAL  25   4.896   3.014  11.700
  225    HA   VAL  25           HA       VAL  25   3.222   4.978  12.966
  226    HB   VAL  25           HB       VAL  25   3.057   3.630  10.249
  227   1HG1  VAL  25          1HG1      VAL  25   1.669   5.364   9.551
  228   2HG1  VAL  25          2HG1      VAL  25   2.205   6.446  10.837
  229   3HG1  VAL  25          3HG1      VAL  25   1.104   5.118  11.205
  230   1HG2  VAL  25          1HG2      VAL  25   4.774   4.953   9.552
  231   2HG2  VAL  25          2HG2      VAL  25   5.181   5.024  11.267
  232   3HG2  VAL  25          3HG2      VAL  25   4.241   6.321  10.529
  233    H    ALA  26           H        ALA  26   2.628   1.646  11.890
  234    HA   ALA  26           HA       ALA  26  -0.223   1.672  12.251
  235   1HB   ALA  26          1HB       ALA  26   0.497  -0.122  11.001
  236   2HB   ALA  26          2HB       ALA  26   0.488  -0.915  12.576
  237   3HB   ALA  26          3HB       ALA  26   1.996  -0.285  11.913
  238    H    GLU  27           H        GLU  27   2.468   0.657  14.374
  239    HA   GLU  27           HA       GLU  27   0.758  -0.102  16.584
  240   1HB   GLU  27          1HB       GLU  27   3.694   0.579  16.269
  241   2HB   GLU  27          2HB       GLU  27   3.005  -0.005  17.784
  242   1HG   GLU  27          1HG       GLU  27   2.515  -2.113  16.904
  243   2HG   GLU  27          2HG       GLU  27   2.495  -1.524  15.241
  244    H    GLU  28           H        GLU  28   1.812   2.957  15.367
  245    HA   GLU  28           HA       GLU  28   1.785   4.382  17.915
  246   1HB   GLU  28          1HB       GLU  28   2.181   4.884  15.034
  247   2HB   GLU  28          2HB       GLU  28   1.461   6.237  15.910
  248   1HG   GLU  28          1HG       GLU  28   3.443   5.417  17.637
  249   2HG   GLU  28          2HG       GLU  28   4.190   5.151  16.061
  250    H    ASN  29           H        ASN  29  -0.367   4.567  15.047
  251    HA   ASN  29           HA       ASN  29  -2.459   5.988  16.406
  252   1HB   ASN  29          1HB       ASN  29  -2.198   4.353  13.885
  253   2HB   ASN  29          2HB       ASN  29  -3.753   5.042  14.351
  254   1HD2  ASN  29          1HD2      ASN  29  -3.171   6.235  12.143
  255   2HD2  ASN  29          2HD2      ASN  29  -2.350   7.711  12.312
  256    H    GLY  30           H        GLY  30  -1.606   2.610  16.279
  257   1HA   GLY  30          1HA       GLY  30  -2.495   1.050  17.926
  258   2HA   GLY  30          2HA       GLY  30  -3.981   1.998  17.967
  259    H    ARG  31           H        ARG  31  -2.694   1.467  14.823
  260    HA   ARG  31           HA       ARG  31  -4.800  -0.610  14.333
  261   1HB   ARG  31          1HB       ARG  31  -3.533   1.412  12.454
  262   2HB   ARG  31          2HB       ARG  31  -4.906   0.366  12.089
  263   1HG   ARG  31          1HG       ARG  31  -5.870   1.535  14.304
  264   2HG   ARG  31          2HG       ARG  31  -4.792   2.824  13.769
  265   1HD   ARG  31          1HD       ARG  31  -5.891   2.472  11.428
  266   2HD   ARG  31          2HD       ARG  31  -7.178   1.657  12.339
  267    HE   ARG  31           HE       ARG  31  -6.300   4.309  13.333
  268   1HH1  ARG  31          1HH1      ARG  31  -8.846   3.113  14.252
  269   2HH1  ARG  31          2HH1      ARG  31 -10.020   3.911  13.263
  270   1HH2  ARG  31          1HH2      ARG  31  -7.706   5.019  10.933
  271   2HH2  ARG  31          2HH2      ARG  31  -9.378   4.989  11.385
  272    H    SER  32           H        SER  32  -3.824  -1.216  11.707
  273    HA   SER  32           HA       SER  32  -1.333  -2.723  12.399
  274   1HB   SER  32          1HB       SER  32  -3.222  -3.354  10.139
  275   2HB   SER  32          2HB       SER  32  -2.190  -4.451  11.053
  276    HG   SER  32           HG       SER  32  -4.087  -4.790  11.989
  277    H    VAL  33           H        VAL  33   0.030  -3.160  10.341
  278    HA   VAL  33           HA       VAL  33   0.775  -0.645   9.151
  279    HB   VAL  33           HB       VAL  33   1.486  -3.519   8.487
  280   1HG1  VAL  33          1HG1      VAL  33   2.072  -1.568   6.868
  281   2HG1  VAL  33          2HG1      VAL  33   3.356  -2.678   7.347
  282   3HG1  VAL  33          3HG1      VAL  33   3.225  -1.097   8.114
  283   1HG2  VAL  33          1HG2      VAL  33   2.608  -1.508  10.458
  284   2HG2  VAL  33          2HG2      VAL  33   3.467  -2.974   9.981
  285   3HG2  VAL  33          3HG2      VAL  33   1.918  -3.092  10.820
  286    H    ASN  34           H        ASN  34  -1.512  -3.103   8.270
  287    HA   ASN  34           HA       ASN  34  -1.550  -2.480   5.401
  288   1HB   ASN  34          1HB       ASN  34  -2.378  -4.540   7.061
  289   2HB   ASN  34          2HB       ASN  34  -3.899  -3.754   6.639
  290   1HD2  ASN  34          1HD2      ASN  34  -3.233  -2.867   3.996
  291   2HD2  ASN  34          2HD2      ASN  34  -3.020  -4.234   3.012
  292    H    SER  35           H        SER  35  -3.358  -1.559   8.310
  293    HA   SER  35           HA       SER  35  -5.386  -0.039   6.865
  294   1HB   SER  35          1HB       SER  35  -4.474  -0.065   9.763
  295   2HB   SER  35          2HB       SER  35  -5.959   0.683   9.180
  296    HG   SER  35           HG       SER  35  -6.457  -1.368   9.878
  297    H    GLU  36           H        GLU  36  -2.270   0.658   8.413
  298    HA   GLU  36           HA       GLU  36  -2.425   3.510   8.408
  299   1HB   GLU  36          1HB       GLU  36  -0.714   1.525   9.235
  300   2HB   GLU  36          2HB       GLU  36   0.177   2.210   7.876
  301   1HG   GLU  36          1HG       GLU  36   0.752   3.372   9.958
  302   2HG   GLU  36          2HG       GLU  36  -0.079   4.457   8.849
  303    H    ILE  37           H        ILE  37  -0.934   1.241   6.073
  304    HA   ILE  37           HA       ILE  37  -0.319   3.257   4.102
  305    HB   ILE  37           HB       ILE  37  -0.626   0.245   4.073
  306   1HG1  ILE  37          1HG1      ILE  37   1.637   2.223   4.373
  307   2HG1  ILE  37          2HG1      ILE  37   1.222   0.861   5.412
  308   1HG2  ILE  37          1HG2      ILE  37  -1.017   1.228   1.798
  309   2HG2  ILE  37          2HG2      ILE  37   0.457   0.261   1.881
  310   3HG2  ILE  37          3HG2      ILE  37   0.556   2.021   1.909
  311   1HD1  ILE  37          1HD1      ILE  37   3.226   0.344   4.094
  312   2HD1  ILE  37          2HD1      ILE  37   2.345   0.683   2.603
  313   3HD1  ILE  37          3HD1      ILE  37   1.891  -0.698   3.601
  314    H    TYR  38           H        TYR  38  -3.218   1.503   4.937
  315    HA   TYR  38           HA       TYR  38  -4.568   1.790   2.383
  316   1HB   TYR  38          1HB       TYR  38  -5.116   0.046   4.005
  317   2HB   TYR  38          2HB       TYR  38  -5.479   1.262   5.231
  318    HD1  TYR  38           HD1      TYR  38  -7.760   1.454   5.634
  319    HD2  TYR  38           HD2      TYR  38  -6.369   0.819   1.605
  320    HE1  TYR  38           HE1      TYR  38 -10.110   1.596   4.804
  321    HE2  TYR  38           HE2      TYR  38  -8.715   0.959   0.766
  322    HH   TYR  38           HH       TYR  38 -10.880   1.995   1.543
  323    H    GLN  39           H        GLN  39  -4.226   3.725   5.309
  324    HA   GLN  39           HA       GLN  39  -6.376   5.596   4.631
  325   1HB   GLN  39          1HB       GLN  39  -5.221   4.856   6.916
  326   2HB   GLN  39          2HB       GLN  39  -4.135   6.193   6.534
  327   1HG   GLN  39          1HG       GLN  39  -5.686   7.558   7.443
  328   2HG   GLN  39          2HG       GLN  39  -6.679   7.221   6.023
  329   1HE2  GLN  39          1HE2      GLN  39  -8.573   5.973   6.327
  330   2HE2  GLN  39          2HE2      GLN  39  -9.014   5.276   7.810
  331    H    ARG  40           H        ARG  40  -2.801   5.648   4.581
  332    HA   ARG  40           HA       ARG  40  -2.469   8.298   3.573
  333   1HB   ARG  40          1HB       ARG  40  -0.823   5.776   3.152
  334   2HB   ARG  40          2HB       ARG  40  -0.235   7.423   2.933
  335   1HG   ARG  40          1HG       ARG  40  -0.774   7.880   5.339
  336   2HG   ARG  40          2HG       ARG  40  -1.198   6.178   5.526
  337   1HD   ARG  40          1HD       ARG  40   1.110   5.559   4.762
  338   2HD   ARG  40          2HD       ARG  40   1.522   7.284   4.741
  339    HE   ARG  40           HE       ARG  40   1.306   5.667   7.117
  340   1HH1  ARG  40          1HH1      ARG  40   2.199   8.659   6.164
  341   2HH1  ARG  40          2HH1      ARG  40   1.536   9.526   7.510
  342   1HH2  ARG  40          1HH2      ARG  40  -0.266   6.817   8.707
  343   2HH2  ARG  40          2HH2      ARG  40   0.142   8.482   8.950
  344    H    VAL  41           H        VAL  41  -2.746   5.161   1.922
  345    HA   VAL  41           HA       VAL  41  -2.547   6.173  -0.773
  346    HB   VAL  41           HB       VAL  41  -3.666   3.678   0.532
  347   1HG1  VAL  41          1HG1      VAL  41  -3.400   2.670  -1.779
  348   2HG1  VAL  41          2HG1      VAL  41  -3.250   4.315  -2.399
  349   3HG1  VAL  41          3HG1      VAL  41  -4.743   3.801  -1.613
  350   1HG2  VAL  41          1HG2      VAL  41  -1.555   2.772   0.245
  351   2HG2  VAL  41          2HG2      VAL  41  -1.130   4.465   0.492
  352   3HG2  VAL  41          3HG2      VAL  41  -1.189   3.801  -1.140
  353    H    MET  42           H        MET  42  -5.152   5.934   1.540
  354    HA   MET  42           HA       MET  42  -7.361   6.067  -0.320
  355   1HB   MET  42          1HB       MET  42  -6.835   5.914   2.500
  356   2HB   MET  42          2HB       MET  42  -8.016   7.185   2.214
  357   1HG   MET  42          1HG       MET  42  -9.104   5.384   0.613
  358   2HG   MET  42          2HG       MET  42  -8.213   4.252   1.630
  359   1HE   MET  42          1HE       MET  42 -11.790   6.872   2.634
  360   2HE   MET  42          2HE       MET  42 -11.420   6.051   1.119
  361   3HE   MET  42          3HE       MET  42 -10.420   7.397   1.649
  362    H    GLU  43           H        GLU  43  -6.270   8.573   2.002
  363    HA   GLU  43           HA       GLU  43  -7.687  10.739   0.896
  364   1HB   GLU  43          1HB       GLU  43  -6.023  12.088   2.138
  365   2HB   GLU  43          2HB       GLU  43  -6.534  10.685   3.078
  366   1HG   GLU  43          1HG       GLU  43  -4.507   9.470   2.094
  367   2HG   GLU  43          2HG       GLU  43  -3.956  11.053   1.543
  368    H    SER  44           H        SER  44  -4.578   9.367  -0.112
  369    HA   SER  44           HA       SER  44  -3.500  11.407  -1.691
  370   1HB   SER  44          1HB       SER  44  -3.010   8.769  -1.195
  371   2HB   SER  44          2HB       SER  44  -3.532   8.690  -2.875
  372    HG   SER  44           HG       SER  44  -1.686   9.519  -3.406
  373    H    PHE  45           H        PHE  45  -5.731   8.862  -2.889
  374    HA   PHE  45           HA       PHE  45  -6.129   9.975  -5.478
  375   1HB   PHE  45          1HB       PHE  45  -7.726   8.172  -3.649
  376   2HB   PHE  45          2HB       PHE  45  -8.223   8.507  -5.307
  377    HD1  PHE  45           HD1      PHE  45  -6.776   6.042  -3.485
  378    HD2  PHE  45           HD2      PHE  45  -5.847   8.516  -6.899
  379    HE1  PHE  45           HE1      PHE  45  -5.225   4.286  -4.334
  380    HE2  PHE  45           HE2      PHE  45  -4.292   6.761  -7.747
  381    HZ   PHE  45           HZ       PHE  45  -3.988   4.642  -6.470
  382    H    LYS  46           H        LYS  46  -7.917  10.450  -2.428
  383    HA   LYS  46           HA       LYS  46 -10.130  11.905  -3.426
  384   1HB   LYS  46          1HB       LYS  46  -9.874  10.995  -1.145
  385   2HB   LYS  46          2HB       LYS  46  -8.608  12.178  -0.815
  386   1HG   LYS  46          1HG       LYS  46 -10.220  14.010  -1.210
  387   2HG   LYS  46          2HG       LYS  46 -11.480  12.822  -1.513
  388   1HD   LYS  46          1HD       LYS  46 -10.010  12.431   1.015
  389   2HD   LYS  46          2HD       LYS  46 -10.970  13.909   0.940
  390   1HE   LYS  46          1HE       LYS  46 -12.990  12.723   0.604
  391   2HE   LYS  46          2HE       LYS  46 -12.140  11.242   0.123
  392   1HZ   LYS  46          1HZ       LYS  46 -12.950  11.272   2.483
  393   2HZ   LYS  46          2HZ       LYS  46 -11.820  12.502   2.790
  394   3HZ   LYS  46          3HZ       LYS  46 -11.300  10.961   2.300
  395    H    LYS  47           H        LYS  47  -6.805  12.872  -3.165
  396    HA   LYS  47           HA       LYS  47  -7.363  15.749  -3.107
  397   1HB   LYS  47          1HB       LYS  47  -4.963  13.946  -3.330
  398   2HB   LYS  47          2HB       LYS  47  -4.794  15.679  -3.616
  399   1HG   LYS  47          1HG       LYS  47  -6.042  15.979  -1.373
  400   2HG   LYS  47          2HG       LYS  47  -5.677  14.277  -1.094
  401   1HD   LYS  47          1HD       LYS  47  -3.404  14.649  -0.911
  402   2HD   LYS  47          2HD       LYS  47  -3.443  16.058  -1.973
  403   1HE   LYS  47          1HE       LYS  47  -4.433  17.426  -0.227
  404   2HE   LYS  47          2HE       LYS  47  -4.616  16.013   0.831
  405   1HZ   LYS  47          1HZ       LYS  47  -2.330  15.774   1.049
  406   2HZ   LYS  47          2HZ       LYS  47  -2.530  17.459   1.112
  407   3HZ   LYS  47          3HZ       LYS  47  -1.987  16.719  -0.318
  408    H    GLU  48           H        GLU  48  -6.102  13.436  -5.542
  409    HA   GLU  48           HA       GLU  48  -5.774  15.273  -7.682
  410   1HB   GLU  48          1HB       GLU  48  -5.168  12.744  -7.341
  411   2HB   GLU  48          2HB       GLU  48  -6.756  12.451  -8.052
  412   1HG   GLU  48          1HG       GLU  48  -6.068  13.058 -10.124
  413   2HG   GLU  48          2HG       GLU  48  -5.169  14.446  -9.513
  414    H    GLY  49           H        GLY  49  -8.623  13.307  -6.776
  415   1HA   GLY  49          1HA       GLY  49 -10.820  14.543  -6.995
  416   2HA   GLY  49          2HA       GLY  49 -10.250  15.053  -8.582
  417    H    ARG  50           H        ARG  50  -9.285  11.862  -7.883
  418    HA   ARG  50           HA       ARG  50 -10.980  10.775  -9.969
  419   1HB   ARG  50          1HB       ARG  50  -9.092   9.609  -7.908
  420   2HB   ARG  50          2HB       ARG  50  -9.868   8.637  -9.159
  421   1HG   ARG  50          1HG       ARG  50  -8.651  11.053 -10.254
  422   2HG   ARG  50          2HG       ARG  50  -7.472  10.035  -9.427
  423   1HD   ARG  50          1HD       ARG  50  -7.554   8.458 -11.062
  424   2HD   ARG  50          2HD       ARG  50  -9.328   8.485 -11.095
  425    HE   ARG  50           HE       ARG  50  -8.426  10.936 -12.197
  426   1HH1  ARG  50          1HH1      ARG  50 -10.190   8.649 -13.392
  427   2HH1  ARG  50          2HH1      ARG  50  -9.330   8.354 -14.864
  428   1HH2  ARG  50          1HH2      ARG  50  -6.500  10.092 -13.869
  429   2HH2  ARG  50          2HH2      ARG  50  -7.241   9.170 -15.136
  430    H    ILE  51           H        ILE  51 -10.780  10.188  -6.435
  431    HA   ILE  51           HA       ILE  51 -13.530   9.009  -6.546
  432    HB   ILE  51           HB       ILE  51 -12.850   8.087  -4.319
  433   1HG1  ILE  51          1HG1      ILE  51 -10.060   9.063  -4.879
  434   2HG1  ILE  51          2HG1      ILE  51 -11.200  10.118  -4.035
  435   1HG2  ILE  51          1HG2      ILE  51 -12.420   6.773  -6.334
  436   2HG2  ILE  51          2HG2      ILE  51 -11.080   6.576  -5.204
  437   3HG2  ILE  51          3HG2      ILE  51 -10.900   7.640  -6.601
  438   1HD1  ILE  51          1HD1      ILE  51 -10.870   8.980  -2.123
  439   2HD1  ILE  51          2HD1      ILE  51  -9.685   7.972  -2.946
  440   3HD1  ILE  51          3HD1      ILE  51 -11.380   7.483  -2.907
  441    H    GLY  52           H        GLY  52 -14.370   9.426  -3.960
  442   1HA   GLY  52          1HA       GLY  52 -14.020  11.806  -2.630
  443   2HA   GLY  52          2HA       GLY  52 -15.030  12.274  -4.000
  444    H    ALA  53           H        ALA  53 -14.910   9.706  -1.505
  445    HA   ALA  53           HA       ALA  53 -17.710  10.275  -0.768
  446   1HB   ALA  53          1HB       ALA  53 -18.480   8.840  -2.355
  447   2HB   ALA  53          2HB       ALA  53 -17.860   7.565  -1.307
  448   3HB   ALA  53          3HB       ALA  53 -16.870   8.168  -2.641
  449   1H    MET   1          1H        MET   1 -14.880 -23.208  -5.738
  450   2H    MET   1          2H        MET   1 -14.050 -24.460  -6.531
  451   3H    MET   1          3H        MET   1 -14.830 -23.247  -7.433
  452    HA   MET   1           HA       MET   1 -13.250 -21.627  -6.866
  453   1HB   MET   1          1HB       MET   1 -11.710 -22.028  -4.973
  454   2HB   MET   1          2HB       MET   1 -13.390 -22.225  -4.461
  455   1HG   MET   1          1HG       MET   1 -13.170 -24.684  -4.793
  456   2HG   MET   1          2HG       MET   1 -11.470 -24.452  -5.203
  457   1HE   MET   1          1HE       MET   1 -12.090 -26.351  -3.579
  458   2HE   MET   1          2HE       MET   1 -12.330 -26.187  -1.841
  459   3HE   MET   1          3HE       MET   1 -10.700 -26.131  -2.507
  460    H    LYS   2           H        LYS   2 -11.360 -21.517  -8.098
  461    HA   LYS   2           HA       LYS   2  -9.577 -23.774  -8.487
  462   1HB   LYS   2          1HB       LYS   2 -12.000 -23.577 -10.035
  463   2HB   LYS   2          2HB       LYS   2 -10.610 -23.379 -11.106
  464   1HG   LYS   2          1HG       LYS   2  -9.871 -25.518 -10.766
  465   2HG   LYS   2          2HG       LYS   2 -10.390 -25.541  -9.082
  466   1HD   LYS   2          1HD       LYS   2 -12.790 -25.583 -10.003
  467   2HD   LYS   2          2HD       LYS   2 -12.060 -25.974 -11.560
  468   1HE   LYS   2          1HE       LYS   2 -10.810 -27.855 -10.267
  469   2HE   LYS   2          2HE       LYS   2 -12.040 -27.602  -9.017
  470   1HZ   LYS   2          1HZ       LYS   2 -12.700 -27.938 -11.890
  471   2HZ   LYS   2          2HZ       LYS   2 -13.770 -27.989 -10.564
  472   3HZ   LYS   2          3HZ       LYS   2 -12.650 -29.244 -10.810
  473    H    GLY   3           H        GLY   3  -8.430 -21.631  -7.832
  474   1HA   GLY   3          1HA       GLY   3  -6.825 -20.670  -9.907
  475   2HA   GLY   3          2HA       GLY   3  -8.175 -19.537  -9.812
  476    H    MET   4           H        MET   4  -5.905 -18.337  -9.256
  477    HA   MET   4           HA       MET   4  -5.403 -18.485  -6.320
  478   1HB   MET   4          1HB       MET   4  -4.002 -17.105  -8.633
  479   2HB   MET   4          2HB       MET   4  -3.435 -17.075  -6.963
  480   1HG   MET   4          1HG       MET   4  -2.595 -19.173  -7.095
  481   2HG   MET   4          2HG       MET   4  -4.030 -19.782  -7.920
  482   1HE   MET   4          1HE       MET   4  -4.402 -19.460 -10.686
  483   2HE   MET   4          2HE       MET   4  -3.843 -20.865  -9.783
  484   3HE   MET   4          3HE       MET   4  -3.039 -20.417 -11.285
  485    H    SER   5           H        SER   5  -7.842 -17.215  -7.626
  486    HA   SER   5           HA       SER   5  -9.114 -15.236  -7.382
  487   1HB   SER   5          1HB       SER   5  -7.184 -14.599  -5.152
  488   2HB   SER   5          2HB       SER   5  -8.921 -14.310  -5.213
  489    HG   SER   5           HG       SER   5  -8.575 -16.107  -3.953
  490    H    LYS   6           H        LYS   6  -8.728 -12.689  -7.057
  491    HA   LYS   6           HA       LYS   6  -6.471 -11.961  -8.883
  492   1HB   LYS   6          1HB       LYS   6  -9.120 -10.645  -8.202
  493   2HB   LYS   6          2HB       LYS   6  -7.934  -9.966  -9.317
  494   1HG   LYS   6          1HG       LYS   6  -8.097 -12.355 -10.443
  495   2HG   LYS   6          2HG       LYS   6  -9.669 -12.387  -9.641
  496   1HD   LYS   6          1HD       LYS   6 -10.350 -11.312 -11.538
  497   2HD   LYS   6          2HD       LYS   6  -9.726  -9.889 -10.704
  498   1HE   LYS   6          1HE       LYS   6  -7.461 -11.007 -11.900
  499   2HE   LYS   6          2HE       LYS   6  -8.732 -11.177 -13.126
  500   1HZ   LYS   6          1HZ       LYS   6  -9.330  -8.873 -12.811
  501   2HZ   LYS   6          2HZ       LYS   6  -7.680  -8.975 -13.200
  502   3HZ   LYS   6          3HZ       LYS   6  -8.160  -8.694 -11.595
  503    H    MET   7           H        MET   7  -5.686  -9.620  -8.459
  504    HA   MET   7           HA       MET   7  -4.593  -8.102  -7.023
  505   1HB   MET   7          1HB       MET   7  -7.246  -8.726  -5.930
  506   2HB   MET   7          2HB       MET   7  -6.113  -8.149  -4.708
  507   1HG   MET   7          1HG       MET   7  -5.968  -6.063  -5.634
  508   2HG   MET   7          2HG       MET   7  -6.104  -6.676  -7.282
  509   1HE   MET   7          1HE       MET   7  -7.888  -5.699  -8.584
  510   2HE   MET   7          2HE       MET   7  -7.483  -4.381  -7.487
  511   3HE   MET   7          3HE       MET   7  -9.172  -4.730  -7.848
  512    HA   PRO   8           HA       PRO   8  -2.061 -10.462  -4.316
  513   1HB   PRO   8          1HB       PRO   8  -1.102  -8.534  -2.633
  514   2HB   PRO   8          2HB       PRO   8  -0.590  -8.677  -4.325
  515   1HG   PRO   8          1HG       PRO   8  -2.488  -6.771  -3.078
  516   2HG   PRO   8          2HG       PRO   8  -1.368  -6.534  -4.426
  517   1HD   PRO   8          1HD       PRO   8  -4.087  -6.939  -4.679
  518   2HD   PRO   8          2HD       PRO   8  -2.890  -7.214  -5.961
  519    H    GLN   9           H        GLN   9  -1.809 -11.116  -1.985
  520    HA   GLN   9           HA       GLN   9  -4.387 -11.308  -0.651
  521   1HB   GLN   9          1HB       GLN   9  -1.540 -12.144  -0.083
  522   2HB   GLN   9          2HB       GLN   9  -2.826 -12.426   1.092
  523   1HG   GLN   9          1HG       GLN   9  -2.836 -14.414  -0.150
  524   2HG   GLN   9          2HG       GLN   9  -4.108 -13.472  -0.927
  525   1HE2  GLN   9          1HE2      GLN   9  -3.801 -12.865  -3.121
  526   2HE2  GLN   9          2HE2      GLN   9  -2.407 -13.243  -4.011
  527    H    PHE  10           H        PHE  10  -1.835  -8.993  -0.572
  528    HA   PHE  10           HA       PHE  10  -2.236  -8.140   2.200
  529   1HB   PHE  10          1HB       PHE  10  -0.083  -7.935   1.043
  530   2HB   PHE  10          2HB       PHE  10  -0.825  -6.922  -0.197
  531    HD1  PHE  10           HD1      PHE  10  -1.225  -4.581   0.164
  532    HD2  PHE  10           HD2      PHE  10   0.041  -7.114   3.424
  533    HE1  PHE  10           HE1      PHE  10  -0.844  -2.565   1.581
  534    HE2  PHE  10           HE2      PHE  10   0.420  -5.097   4.841
  535    HZ   PHE  10           HZ       PHE  10  -0.021  -2.824   3.920
  536    H    LEU  11           H        LEU  11  -3.493  -7.261  -0.974
  537    HA   LEU  11           HA       LEU  11  -4.799  -4.827   0.101
  538   1HB   LEU  11          1HB       LEU  11  -4.487  -6.142  -2.602
  539   2HB   LEU  11          2HB       LEU  11  -5.539  -4.745  -2.367
  540    HG   LEU  11           HG       LEU  11  -2.599  -4.829  -1.633
  541   1HD1  LEU  11          1HD1      LEU  11  -4.022  -3.527  -3.974
  542   2HD1  LEU  11          2HD1      LEU  11  -2.920  -4.900  -4.070
  543   3HD1  LEU  11          3HD1      LEU  11  -2.316  -3.316  -3.576
  544   1HD2  LEU  11          1HD2      LEU  11  -3.723  -2.206  -1.972
  545   2HD2  LEU  11          2HD2      LEU  11  -3.012  -2.913  -0.521
  546   3HD2  LEU  11          3HD2      LEU  11  -4.733  -3.115  -0.847
  547    H    ASN  12           H        ASN  12  -5.549  -7.885   0.596
  548    HA   ASN  12           HA       ASN  12  -8.201  -8.207  -0.505
  549   1HB   ASN  12          1HB       ASN  12  -6.332  -9.734   0.819
  550   2HB   ASN  12          2HB       ASN  12  -7.555  -9.504   2.069
  551   1HD2  ASN  12          1HD2      ASN  12  -6.847 -11.142  -0.928
  552   2HD2  ASN  12          2HD2      ASN  12  -8.339 -11.939  -1.079
  553    H    ARG  13           H        ARG  13  -6.908  -6.516   2.269
  554    HA   ARG  13           HA       ARG  13  -9.458  -6.299   3.687
  555   1HB   ARG  13          1HB       ARG  13  -6.633  -5.566   3.991
  556   2HB   ARG  13          2HB       ARG  13  -7.733  -4.345   4.631
  557   1HG   ARG  13          1HG       ARG  13  -8.090  -5.623   6.446
  558   2HG   ARG  13          2HG       ARG  13  -8.733  -6.901   5.413
  559   1HD   ARG  13          1HD       ARG  13  -5.978  -7.096   5.032
  560   2HD   ARG  13          2HD       ARG  13  -6.145  -6.761   6.766
  561    HE   ARG  13           HE       ARG  13  -8.122  -8.621   6.317
  562   1HH1  ARG  13          1HH1      ARG  13  -5.366  -9.073   7.680
  563   2HH1  ARG  13          2HH1      ARG  13  -4.846 -10.497   6.845
  564   1HH2  ARG  13          1HH2      ARG  13  -7.202 -10.198   4.318
  565   2HH2  ARG  13          2HH2      ARG  13  -5.884 -11.135   4.941
  566    H    TRP  14           H        TRP  14  -7.800  -4.558   1.185
  567    HA   TRP  14           HA       TRP  14  -9.110  -1.997   1.508
  568   1HB   TRP  14          1HB       TRP  14  -7.634  -3.433  -0.702
  569   2HB   TRP  14          2HB       TRP  14  -8.222  -1.786  -0.867
  570    HD1  TRP  14           HD1      TRP  14  -6.775  -3.095   2.446
  571    HE1  TRP  14           HE1      TRP  14  -4.602  -1.803   2.947
  572    HE3  TRP  14           HE3      TRP  14  -6.341  -0.472  -1.886
  573    HZ2  TRP  14           HZ2      TRP  14  -2.878   0.114   1.660
  574    HZ3  TRP  14           HZ3      TRP  14  -4.422   1.089  -2.254
  575    HH2  TRP  14           HH2      TRP  14  -2.695   1.384  -0.481
  576    HA   PRO  15           HA       PRO  15 -12.990  -3.167  -0.274
  577   1HB   PRO  15          1HB       PRO  15 -13.890  -0.694  -1.029
  578   2HB   PRO  15          2HB       PRO  15 -13.890  -1.256   0.653
  579   1HG   PRO  15          1HG       PRO  15 -11.970   0.547  -0.742
  580   2HG   PRO  15          2HG       PRO  15 -12.610   0.636   0.909
  581   1HD   PRO  15          1HD       PRO  15 -10.120  -0.307   0.310
  582   2HD   PRO  15          2HD       PRO  15 -11.060  -0.839   1.727
  583    H    ARG  16           H        ARG  16 -14.240  -2.658  -2.434
  584    HA   ARG  16           HA       ARG  16 -12.390  -3.123  -4.630
  585   1HB   ARG  16          1HB       ARG  16 -14.230  -4.412  -4.962
  586   2HB   ARG  16          2HB       ARG  16 -15.210  -3.425  -3.896
  587   1HG   ARG  16          1HG       ARG  16 -15.870  -1.992  -5.598
  588   2HG   ARG  16          2HG       ARG  16 -14.500  -2.400  -6.624
  589   1HD   ARG  16          1HD       ARG  16 -15.970  -3.774  -7.714
  590   2HD   ARG  16          2HD       ARG  16 -15.780  -4.846  -6.311
  591    HE   ARG  16           HE       ARG  16 -17.720  -3.597  -5.276
  592   1HH1  ARG  16          1HH1      ARG  16 -17.510  -1.602  -7.709
  593   2HH1  ARG  16          2HH1      ARG  16 -18.980  -2.020  -8.537
  594   1HH2  ARG  16          1HH2      ARG  16 -19.460  -4.955  -6.755
  595   2HH2  ARG  16          2HH2      ARG  16 -20.080  -3.918  -7.996
  596    H    GLU  17           H        GLU  17 -14.200  -0.446  -3.302
  597    HA   GLU  17           HA       GLU  17 -14.280   1.218  -5.647
  598   1HB   GLU  17          1HB       GLU  17 -14.700   2.992  -3.918
  599   2HB   GLU  17          2HB       GLU  17 -15.710   1.561  -3.697
  600   1HG   GLU  17          1HG       GLU  17 -14.700   1.001  -1.734
  601   2HG   GLU  17          2HG       GLU  17 -13.100   1.448  -2.319
  602    H    VAL  18           H        VAL  18 -11.740   0.417  -3.404
  603    HA   VAL  18           HA       VAL  18 -10.100   2.737  -4.289
  604    HB   VAL  18           HB       VAL  18  -9.778   0.590  -2.163
  605   1HG1  VAL  18          1HG1      VAL  18  -8.023   2.708  -1.640
  606   2HG1  VAL  18          2HG1      VAL  18  -7.841   2.399  -3.367
  607   3HG1  VAL  18          3HG1      VAL  18  -7.578   1.098  -2.206
  608   1HG2  VAL  18          1HG2      VAL  18 -10.040   2.583  -0.647
  609   2HG2  VAL  18          2HG2      VAL  18 -11.480   2.225  -1.601
  610   3HG2  VAL  18          3HG2      VAL  18 -10.420   3.552  -2.071
  611    H    LEU  19           H        LEU  19  -9.935  -0.834  -4.116
  612    HA   LEU  19           HA       LEU  19  -7.451  -1.153  -5.464
  613   1HB   LEU  19          1HB       LEU  19  -9.926  -2.895  -5.296
  614   2HB   LEU  19          2HB       LEU  19  -8.347  -3.464  -5.833
  615    HG   LEU  19           HG       LEU  19  -8.819  -2.161  -3.140
  616   1HD1  LEU  19          1HD1      LEU  19  -8.803  -4.401  -2.189
  617   2HD1  LEU  19          2HD1      LEU  19  -8.559  -5.113  -3.785
  618   3HD1  LEU  19          3HD1      LEU  19 -10.080  -4.309  -3.401
  619   1HD2  LEU  19          1HD2      LEU  19  -6.617  -3.130  -2.626
  620   2HD2  LEU  19          2HD2      LEU  19  -6.505  -2.087  -4.043
  621   3HD2  LEU  19          3HD2      LEU  19  -6.539  -3.839  -4.239
  622    H    ASP  20           H        ASP  20 -10.660  -0.513  -6.683
  623    HA   ASP  20           HA       ASP  20 -10.150  -1.337  -9.422
  624   1HB   ASP  20          1HB       ASP  20 -12.380  -1.121  -8.269
  625   2HB   ASP  20          2HB       ASP  20 -12.180   0.631  -8.312
  626    H    LEU  21           H        LEU  21  -9.769   1.652  -7.594
  627    HA   LEU  21           HA       LEU  21  -9.246   3.316  -9.944
  628   1HB   LEU  21          1HB       LEU  21 -10.250   4.154  -7.860
  629   2HB   LEU  21          2HB       LEU  21  -8.818   3.680  -6.959
  630    HG   LEU  21           HG       LEU  21  -7.585   5.199  -8.739
  631   1HD1  LEU  21          1HD1      LEU  21  -8.889   7.004  -9.584
  632   2HD1  LEU  21          2HD1      LEU  21 -10.270   6.571  -8.581
  633   3HD1  LEU  21          3HD1      LEU  21  -9.821   5.552  -9.950
  634   1HD2  LEU  21          1HD2      LEU  21  -7.946   7.135  -7.184
  635   2HD2  LEU  21          2HD2      LEU  21  -7.567   5.627  -6.353
  636   3HD2  LEU  21          3HD2      LEU  21  -9.229   6.210  -6.404
  637    H    VAL  22           H        VAL  22  -7.261   1.964  -7.292
  638    HA   VAL  22           HA       VAL  22  -4.718   2.899  -7.998
  639    HB   VAL  22           HB       VAL  22  -5.458   0.114  -7.034
  640   1HG1  VAL  22          1HG1      VAL  22  -3.013   0.908  -7.683
  641   2HG1  VAL  22          2HG1      VAL  22  -3.290  -0.059  -6.236
  642   3HG1  VAL  22          3HG1      VAL  22  -3.085   1.687  -6.101
  643   1HG2  VAL  22          1HG2      VAL  22  -6.370   1.101  -5.221
  644   2HG2  VAL  22          2HG2      VAL  22  -5.953   2.700  -5.839
  645   3HG2  VAL  22          3HG2      VAL  22  -4.790   1.804  -4.861
  646    H    ARG  23           H        ARG  23  -6.391  -0.020  -9.173
  647    HA   ARG  23           HA       ARG  23  -4.431  -1.141 -10.830
  648   1HB   ARG  23          1HB       ARG  23  -6.589  -2.147 -10.302
  649   2HB   ARG  23          2HB       ARG  23  -7.435  -0.861 -11.162
  650   1HG   ARG  23          1HG       ARG  23  -6.007  -1.628 -13.213
  651   2HG   ARG  23          2HG       ARG  23  -5.786  -3.113 -12.284
  652   1HD   ARG  23          1HD       ARG  23  -8.575  -2.101 -12.407
  653   2HD   ARG  23          2HD       ARG  23  -7.909  -2.720 -13.933
  654    HE   ARG  23           HE       ARG  23  -7.744  -4.313 -11.402
  655   1HH1  ARG  23          1HH1      ARG  23  -6.820  -4.677 -14.489
  656   2HH1  ARG  23          2HH1      ARG  23  -7.841  -6.021 -14.881
  657   1HH2  ARG  23          1HH2      ARG  23  -9.768  -5.736 -12.013
  658   2HH2  ARG  23          2HH2      ARG  23  -9.509  -6.619 -13.480
  659    H    LYS  24           H        LYS  24  -7.053   0.999 -12.018
  660    HA   LYS  24           HA       LYS  24  -6.073   1.444 -14.609
  661   1HB   LYS  24          1HB       LYS  24  -7.913   2.684 -12.682
  662   2HB   LYS  24          2HB       LYS  24  -7.276   3.821 -13.870
  663   1HG   LYS  24          1HG       LYS  24  -7.864   1.563 -15.383
  664   2HG   LYS  24          2HG       LYS  24  -9.199   1.652 -14.233
  665   1HD   LYS  24          1HD       LYS  24  -9.500   4.059 -14.842
  666   2HD   LYS  24          2HD       LYS  24  -8.255   3.866 -16.076
  667   1HE   LYS  24          1HE       LYS  24  -9.650   1.997 -17.072
  668   2HE   LYS  24          2HE       LYS  24 -10.940   2.464 -15.949
  669   1HZ   LYS  24          1HZ       LYS  24  -9.565   4.382 -17.747
  670   2HZ   LYS  24          2HZ       LYS  24 -10.950   4.659 -16.814
  671   3HZ   LYS  24          3HZ       LYS  24 -11.020   3.615 -18.153
  672    H    VAL  25           H        VAL  25  -5.138   3.050 -11.588
  673    HA   VAL  25           HA       VAL  25  -3.639   5.199 -12.770
  674    HB   VAL  25           HB       VAL  25  -3.365   3.769 -10.104
  675   1HG1  VAL  25          1HG1      VAL  25  -2.133   5.587  -9.334
  676   2HG1  VAL  25          2HG1      VAL  25  -2.763   6.669 -10.576
  677   3HG1  VAL  25          3HG1      VAL  25  -1.549   5.459 -10.995
  678   1HG2  VAL  25          1HG2      VAL  25  -5.199   4.903  -9.375
  679   2HG2  VAL  25          2HG2      VAL  25  -5.598   5.019 -11.089
  680   3HG2  VAL  25          3HG2      VAL  25  -4.777   6.355 -10.282
  681    H    ALA  26           H        ALA  26  -2.762   1.889 -11.829
  682    HA   ALA  26           HA       ALA  26   0.079   2.182 -12.174
  683   1HB   ALA  26          1HB       ALA  26  -0.488   0.287 -10.992
  684   2HB   ALA  26          2HB       ALA  26  -0.387  -0.442 -12.594
  685   3HB   ALA  26          3HB       ALA  26  -1.956   0.016 -11.929
  686    H    GLU  27           H        GLU  27  -2.515   1.022 -14.344
  687    HA   GLU  27           HA       GLU  27  -0.745   0.498 -16.574
  688   1HB   GLU  27          1HB       GLU  27  -3.728   0.913 -16.248
  689   2HB   GLU  27          2HB       GLU  27  -2.987   0.448 -17.781
  690   1HG   GLU  27          1HG       GLU  27  -2.326  -1.644 -16.983
  691   2HG   GLU  27          2HG       GLU  27  -2.353  -1.121 -15.299
  692    H    GLU  28           H        GLU  28  -2.071   3.406 -15.249
  693    HA   GLU  28           HA       GLU  28  -2.158   4.925 -17.740
  694   1HB   GLU  28          1HB       GLU  28  -2.592   5.287 -14.841
  695   2HB   GLU  28          2HB       GLU  28  -1.993   6.726 -15.668
  696   1HG   GLU  28          1HG       GLU  28  -3.901   5.808 -17.427
  697   2HG   GLU  28          2HG       GLU  28  -4.617   5.411 -15.864
  698    H    ASN  29           H        ASN  29  -0.036   5.192 -14.857
  699    HA   ASN  29           HA       ASN  29   1.929   6.835 -16.147
  700   1HB   ASN  29          1HB       ASN  29   1.793   5.088 -13.691
  701   2HB   ASN  29          2HB       ASN  29   3.291   5.916 -14.120
  702   1HD2  ASN  29          1HD2      ASN  29   2.606   6.978 -11.876
  703   2HD2  ASN  29          2HD2      ASN  29   1.670   8.388 -11.996
  704    H    GLY  30           H        GLY  30   1.374   3.393 -16.158
  705   1HA   GLY  30          1HA       GLY  30   2.404   1.984 -17.858
  706   2HA   GLY  30          2HA       GLY  30   3.801   3.061 -17.852
  707    H    ARG  31           H        ARG  31   2.554   2.292 -14.740
  708    HA   ARG  31           HA       ARG  31   4.834   0.391 -14.320
  709   1HB   ARG  31          1HB       ARG  31   3.396   2.224 -12.373
  710   2HB   ARG  31          2HB       ARG  31   4.851   1.287 -12.038
  711   1HG   ARG  31          1HG       ARG  31   5.714   2.614 -14.208
  712   2HG   ARG  31          2HG       ARG  31   4.530   3.786 -13.628
  713   1HD   ARG  31          1HD       ARG  31   5.657   3.434 -11.297
  714   2HD   ARG  31          2HD       ARG  31   7.009   2.774 -12.240
  715    HE   ARG  31           HE       ARG  31   5.900   5.378 -13.122
  716   1HH1  ARG  31          1HH1      ARG  31   8.541   4.440 -14.081
  717   2HH1  ARG  31          2HH1      ARG  31   9.645   5.298 -13.058
  718   1HH2  ARG  31          1HH2      ARG  31   7.240   6.111 -10.696
  719   2HH2  ARG  31          2HH2      ARG  31   8.908   6.244 -11.141
  720    H    SER  32           H        SER  32   3.918  -0.404 -11.727
  721    HA   SER  32           HA       SER  32   1.569  -2.096 -12.486
  722   1HB   SER  32          1HB       SER  32   3.495  -2.641 -10.237
  723   2HB   SER  32          2HB       SER  32   2.573  -3.790 -11.201
  724    HG   SER  32           HG       SER  32   4.487  -3.923 -12.143
  725    H    VAL  33           H        VAL  33   0.242  -2.725 -10.456
  726    HA   VAL  33           HA       VAL  33  -0.728  -0.335  -9.176
  727    HB   VAL  33           HB       VAL  33  -1.175  -3.286  -8.623
  728   1HG1  VAL  33          1HG1      VAL  33  -1.935  -1.471  -6.926
  729   2HG1  VAL  33          2HG1      VAL  33  -3.120  -2.661  -7.463
  730   3HG1  VAL  33          3HG1      VAL  33  -3.121  -1.040  -8.157
  731   1HG2  VAL  33          1HG2      VAL  33  -2.476  -1.309 -10.519
  732   2HG2  VAL  33          2HG2      VAL  33  -3.198  -2.864 -10.101
  733   3HG2  VAL  33          3HG2      VAL  33  -1.647  -2.806 -10.941
  734    H    ASN  34           H        ASN  34   1.754  -2.630  -8.370
  735    HA   ASN  34           HA       ASN  34   1.750  -2.105  -5.484
  736   1HB   ASN  34          1HB       ASN  34   2.756  -4.016  -7.223
  737   2HB   ASN  34          2HB       ASN  34   4.201  -3.115  -6.764
  738   1HD2  ASN  34          1HD2      ASN  34   3.453  -2.401  -4.087
  739   2HD2  ASN  34          2HD2      ASN  34   3.366  -3.821  -3.161
  740    H    SER  35           H        SER  35   3.481  -0.927  -8.349
  741    HA   SER  35           HA       SER  35   5.364   0.713  -6.844
  742   1HB   SER  35          1HB       SER  35   4.452   0.711  -9.742
  743   2HB   SER  35          2HB       SER  35   5.857   1.579  -9.130
  744    HG   SER  35           HG       SER  35   6.547  -0.391  -9.904
  745    H    GLU  36           H        GLU  36   2.198   1.200  -8.376
  746    HA   GLU  36           HA       GLU  36   2.104   4.050  -8.256
  747   1HB   GLU  36          1HB       GLU  36   0.577   1.958  -9.171
  748   2HB   GLU  36          2HB       GLU  36  -0.373   2.507  -7.789
  749   1HG   GLU  36          1HG       GLU  36  -1.045   3.697  -9.826
  750   2HG   GLU  36          2HG       GLU  36  -0.316   4.804  -8.668
  751    H    ILE  37           H        ILE  37   0.823   1.569  -6.014
  752    HA   ILE  37           HA       ILE  37   0.027   3.448  -3.973
  753    HB   ILE  37           HB       ILE  37   0.592   0.476  -4.060
  754   1HG1  ILE  37          1HG1      ILE  37  -1.831   2.262  -4.289
  755   2HG1  ILE  37          2HG1      ILE  37  -1.304   0.984  -5.378
  756   1HG2  ILE  37          1HG2      ILE  37   0.898   1.402  -1.747
  757   2HG2  ILE  37          2HG2      ILE  37  -0.478   0.306  -1.872
  758   3HG2  ILE  37          3HG2      ILE  37  -0.741   2.049  -1.831
  759   1HD1  ILE  37          1HD1      ILE  37  -3.257   0.252  -4.086
  760   2HD1  ILE  37          2HD1      ILE  37  -2.401   0.597  -2.582
  761   3HD1  ILE  37          3HD1      ILE  37  -1.838  -0.699  -3.639
  762    H    TYR  38           H        TYR  38   3.067   1.980  -4.857
  763    HA   TYR  38           HA       TYR  38   4.380   2.289  -2.287
  764   1HB   TYR  38          1HB       TYR  38   5.079   0.658  -3.966
  765   2HB   TYR  38          2HB       TYR  38   5.336   1.941  -5.147
  766    HD1  TYR  38           HD1      TYR  38   7.586   2.373  -5.532
  767    HD2  TYR  38           HD2      TYR  38   6.266   1.424  -1.542
  768    HE1  TYR  38           HE1      TYR  38   9.916   2.689  -4.690
  769    HE2  TYR  38           HE2      TYR  38   8.590   1.738  -0.690
  770    HH   TYR  38           HH       TYR  38  10.660   3.002  -1.411
  771    H    GLN  39           H        GLN  39   3.871   4.301  -5.135
  772    HA   GLN  39           HA       GLN  39   5.856   6.319  -4.374
  773   1HB   GLN  39          1HB       GLN  39   4.770   5.578  -6.693
  774   2HB   GLN  39          2HB       GLN  39   3.573   6.800  -6.261
  775   1HG   GLN  39          1HG       GLN  39   5.001   8.329  -7.105
  776   2HG   GLN  39          2HG       GLN  39   6.017   8.021  -5.696
  777   1HE2  GLN  39          1HE2      GLN  39   8.011   6.954  -6.044
  778   2HE2  GLN  39          2HE2      GLN  39   8.514   6.361  -7.553
  779    H    ARG  40           H        ARG  40   2.289   6.066  -4.342
  780    HA   ARG  40           HA       ARG  40   1.731   8.636  -3.229
  781   1HB   ARG  40          1HB       ARG  40   0.303   5.970  -2.910
  782   2HB   ARG  40          2HB       ARG  40  -0.421   7.554  -2.641
  783   1HG   ARG  40          1HG       ARG  40   0.082   8.134  -5.026
  784   2HG   ARG  40          2HG       ARG  40   0.650   6.482  -5.268
  785   1HD   ARG  40          1HD       ARG  40  -1.596   5.641  -4.541
  786   2HD   ARG  40          2HD       ARG  40  -2.155   7.322  -4.454
  787    HE   ARG  40           HE       ARG  40  -1.800   5.822  -6.890
  788   1HH1  ARG  40          1HH1      ARG  40  -2.949   8.686  -5.823
  789   2HH1  ARG  40          2HH1      ARG  40  -2.366   9.660  -7.131
  790   1HH2  ARG  40          1HH2      ARG  40  -0.334   7.167  -8.429
  791   2HH2  ARG  40          2HH2      ARG  40  -0.885   8.800  -8.608
  792    H    VAL  41           H        VAL  41   2.276   5.469  -1.704
  793    HA   VAL  41           HA       VAL  41   1.987   6.351   1.028
  794    HB   VAL  41           HB       VAL  41   3.322   4.017  -0.371
  795   1HG1  VAL  41          1HG1      VAL  41   3.179   2.893   1.883
  796   2HG1  VAL  41          2HG1      VAL  41   2.833   4.475   2.585
  797   3HG1  VAL  41          3HG1      VAL  41   4.381   4.180   1.791
  798   1HG2  VAL  41          1HG2      VAL  41   1.301   2.920  -0.135
  799   2HG2  VAL  41          2HG2      VAL  41   0.720   4.579  -0.289
  800   3HG2  VAL  41          3HG2      VAL  41   0.854   3.837   1.304
  801    H    MET  42           H        MET  42   4.607   6.426  -1.281
  802    HA   MET  42           HA       MET  42   6.794   6.685   0.591
  803   1HB   MET  42          1HB       MET  42   6.284   6.595  -2.236
  804   2HB   MET  42          2HB       MET  42   7.350   7.952  -1.895
  805   1HG   MET  42          1HG       MET  42   8.589   6.192  -0.360
  806   2HG   MET  42          2HG       MET  42   7.803   5.028  -1.429
  807   1HE   MET  42          1HE       MET  42  11.144   7.987  -2.309
  808   2HE   MET  42          2HE       MET  42  10.845   7.080  -0.829
  809   3HE   MET  42          3HE       MET  42   9.728   8.356  -1.314
  810    H    GLU  43           H        GLU  43   5.490   9.174  -1.638
  811    HA   GLU  43           HA       GLU  43   6.713  11.409  -0.447
  812   1HB   GLU  43          1HB       GLU  43   4.933  12.658  -1.634
  813   2HB   GLU  43          2HB       GLU  43   5.568  11.348  -2.631
  814   1HG   GLU  43          1HG       GLU  43   3.657   9.915  -1.709
  815   2HG   GLU  43          2HG       GLU  43   2.965  11.417  -1.093
  816    H    SER  44           H        SER  44   3.739   9.736   0.501
  817    HA   SER  44           HA       SER  44   2.494  11.613   2.159
  818   1HB   SER  44          1HB       SER  44   2.228   8.967   1.553
  819   2HB   SER  44          2HB       SER  44   2.748   8.865   3.233
  820    HG   SER  44           HG       SER  44   0.838   9.518   3.782
  821    H    PHE  45           H        PHE  45   4.934   9.217   3.268
  822    HA   PHE  45           HA       PHE  45   5.229  10.269   5.899
  823   1HB   PHE  45          1HB       PHE  45   6.988   8.678   4.019
  824   2HB   PHE  45          2HB       PHE  45   7.439   8.990   5.694
  825    HD1  PHE  45           HD1      PHE  45   6.211   6.488   3.754
  826    HD2  PHE  45           HD2      PHE  45   5.073   8.727   7.267
  827    HE1  PHE  45           HE1      PHE  45   4.802   4.579   4.514
  828    HE2  PHE  45           HE2      PHE  45   3.660   6.818   8.023
  829    HZ   PHE  45           HZ       PHE  45   3.531   4.741   6.653
  830    H    LYS  46           H        LYS  46   6.962  11.014   2.870
  831    HA   LYS  46           HA       LYS  46   9.047  12.617   3.929
  832   1HB   LYS  46          1HB       LYS  46   8.864  11.777   1.614
  833   2HB   LYS  46          2HB       LYS  46   7.500  12.860   1.329
  834   1HG   LYS  46          1HG       LYS  46   8.949  14.806   1.798
  835   2HG   LYS  46          2HG       LYS  46  10.314  13.721   2.063
  836   1HD   LYS  46          1HD       LYS  46   8.883  13.302  -0.487
  837   2HD   LYS  46          2HD       LYS  46   9.710  14.855  -0.350
  838   1HE   LYS  46          1HE       LYS  46  11.827  13.839  -0.049
  839   2HE   LYS  46          2HE       LYS  46  11.109  12.270   0.370
  840   1HZ   LYS  46          1HZ       LYS  46  11.920  12.470  -1.985
  841   2HZ   LYS  46          2HZ       LYS  46  10.679  13.599  -2.246
  842   3HZ   LYS  46          3HZ       LYS  46  10.300  12.000  -1.820
  843    H    LYS  47           H        LYS  47   5.647  13.301   3.692
  844    HA   LYS  47           HA       LYS  47   5.953  16.215   3.750
  845   1HB   LYS  47          1HB       LYS  47   3.717  14.203   3.893
  846   2HB   LYS  47          2HB       LYS  47   3.399  15.902   4.246
  847   1HG   LYS  47          1HG       LYS  47   4.618  16.399   2.025
  848   2HG   LYS  47          2HG       LYS  47   4.406  14.683   1.676
  849   1HD   LYS  47          1HD       LYS  47   2.110  14.861   1.492
  850   2HD   LYS  47          2HD       LYS  47   2.021  16.223   2.609
  851   1HE   LYS  47          1HE       LYS  47   2.902  17.743   0.927
  852   2HE   LYS  47          2HE       LYS  47   3.198  16.393  -0.188
  853   1HZ   LYS  47          1HZ       LYS  47   0.938  15.977  -0.420
  854   2HZ   LYS  47          2HZ       LYS  47   1.003  17.675  -0.418
  855   3HZ   LYS  47          3HZ       LYS  47   0.523  16.840   0.981
  856    H    GLU  48           H        GLU  48   4.887  13.710   6.088
  857    HA   GLU  48           HA       GLU  48   4.407  15.424   8.299
  858   1HB   GLU  48          1HB       GLU  48   4.027  12.865   7.853
  859   2HB   GLU  48          2HB       GLU  48   5.632  12.687   8.560
  860   1HG   GLU  48          1HG       GLU  48   4.888  13.148  10.651
  861   2HG   GLU  48          2HG       GLU  48   3.870  14.475  10.089
  862    H    GLY  49           H        GLY  49   7.416  13.747   7.326
  863   1HA   GLY  49          1HA       GLY  49   9.502  15.159   7.596
  864   2HA   GLY  49          2HA       GLY  49   8.886  15.561   9.197
  865    H    ARG  50           H        ARG  50   8.206  12.323   8.377
  866    HA   ARG  50           HA       ARG  50   9.992  11.314  10.432
  867   1HB   ARG  50          1HB       ARG  50   8.215  10.062   8.317
  868   2HB   ARG  50          2HB       ARG  50   9.069   9.117   9.537
  869   1HG   ARG  50          1HG       ARG  50   7.644  11.373  10.713
  870   2HG   ARG  50          2HG       ARG  50   6.558  10.292   9.840
  871   1HD   ARG  50          1HD       ARG  50   6.772   8.664  11.412
  872   2HD   ARG  50          2HD       ARG  50   8.538   8.844  11.459
  873    HE   ARG  50           HE       ARG  50   7.418  11.163  12.647
  874   1HH1  ARG  50          1HH1      ARG  50   9.379   8.996  13.761
  875   2HH1  ARG  50          2HH1      ARG  50   8.544   8.568  15.217
  876   1HH2  ARG  50          1HH2      ARG  50   5.573  10.088  14.276
  877   2HH2  ARG  50          2HH2      ARG  50   6.390   9.185  15.509
  878    H    ILE  51           H        ILE  51   9.845  10.837   6.882
  879    HA   ILE  51           HA       ILE  51  12.684   9.905   6.951
  880    HB   ILE  51           HB       ILE  51  12.085   9.015   4.689
  881   1HG1  ILE  51          1HG1      ILE  51   9.223   9.719   5.280
  882   2HG1  ILE  51          2HG1      ILE  51  10.259  10.906   4.487
  883   1HG2  ILE  51          1HG2      ILE  51  11.771   7.591   6.650
  884   2HG2  ILE  51          2HG2      ILE  51  10.448   7.323   5.514
  885   3HG2  ILE  51          3HG2      ILE  51  10.189   8.313   6.951
  886   1HD1  ILE  51          1HD1      ILE  51  10.037   9.829   2.525
  887   2HD1  ILE  51          2HD1      ILE  51   8.936   8.689   3.299
  888   3HD1  ILE  51          3HD1      ILE  51  10.665   8.346   3.248
  889    H    GLY  52           H        GLY  52  13.485  10.494   4.392
  890   1HA   GLY  52          1HA       GLY  52  12.930  12.880   3.146
  891   2HA   GLY  52          2HA       GLY  52  13.888  13.387   4.538
  892    H    ALA  53           H        ALA  53  14.005  10.919   1.944
  893    HA   ALA  53           HA       ALA  53  16.741  11.755   1.251
  894   1HB   ALA  53          1HB       ALA  53  17.629  10.329   2.785
  895   2HB   ALA  53          2HB       ALA  53  17.125   9.048   1.683
  896   3HB   ALA  53          3HB       ALA  53  16.087   9.510   3.032
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  20.071 -16.312   3.235
    2   2H    MET   1          2H        MET   1  20.365 -14.640   3.312
    3   3H    MET   1          3H        MET   1  18.986 -15.226   2.514
    4    HA   MET   1           HA       MET   1  19.530 -15.304   5.438
    5   1HB   MET   1          1HB       MET   1  17.913 -13.716   3.492
    6   2HB   MET   1          2HB       MET   1  17.189 -14.035   5.069
    7   1HG   MET   1          1HG       MET   1  19.090 -13.047   6.206
    8   2HG   MET   1          2HG       MET   1  19.961 -12.869   4.682
    9   1HE   MET   1          1HE       MET   1  15.981 -12.085   5.240
   10   2HE   MET   1          2HE       MET   1  16.294 -10.640   6.199
   11   3HE   MET   1          3HE       MET   1  16.961 -12.189   6.709
   12    H    LYS   2           H        LYS   2  17.415 -16.026   6.569
   13    HA   LYS   2           HA       LYS   2  16.285 -18.388   5.103
   14   1HB   LYS   2          1HB       LYS   2  17.769 -18.329   7.375
   15   2HB   LYS   2          2HB       LYS   2  16.152 -18.178   8.065
   16   1HG   LYS   2          1HG       LYS   2  16.328 -20.488   7.955
   17   2HG   LYS   2          2HG       LYS   2  15.614 -20.156   6.375
   18   1HD   LYS   2          1HD       LYS   2  17.864 -20.144   5.358
   19   2HD   LYS   2          2HD       LYS   2  18.577 -20.485   6.935
   20   1HE   LYS   2          1HE       LYS   2  16.422 -22.321   5.948
   21   2HE   LYS   2          2HE       LYS   2  18.048 -22.475   5.255
   22   1HZ   LYS   2          1HZ       LYS   2  17.621 -22.227   8.172
   23   2HZ   LYS   2          2HZ       LYS   2  18.995 -22.797   7.350
   24   3HZ   LYS   2          3HZ       LYS   2  17.582 -23.739   7.405
   25    H    GLY   3           H        GLY   3  15.556 -15.579   7.112
   26   1HA   GLY   3          1HA       GLY   3  12.997 -15.093   6.091
   27   2HA   GLY   3          2HA       GLY   3  12.750 -16.165   7.471
   28    H    MET   4           H        MET   4  13.027 -15.345   9.554
   29    HA   MET   4           HA       MET   4  13.087 -13.654  11.207
   30   1HB   MET   4          1HB       MET   4  15.336 -13.145   9.287
   31   2HB   MET   4          2HB       MET   4  15.045 -11.979  10.577
   32   1HG   MET   4          1HG       MET   4  16.615 -13.566  11.449
   33   2HG   MET   4          2HG       MET   4  15.062 -13.944  12.196
   34   1HE   MET   4          1HE       MET   4  14.659 -15.815  12.736
   35   2HE   MET   4          2HE       MET   4  16.086 -16.839  12.600
   36   3HE   MET   4          3HE       MET   4  14.582 -17.328  11.823
   37    H    SER   5           H        SER   5  11.290 -13.268   8.823
   38    HA   SER   5           HA       SER   5  11.030 -10.288   9.024
   39   1HB   SER   5          1HB       SER   5  11.108 -12.142   6.665
   40   2HB   SER   5          2HB       SER   5  10.140 -10.674   6.559
   41    HG   SER   5           HG       SER   5  12.890 -11.016   6.699
   42    H    LYS   6           H        LYS   6   8.739  -9.590   8.460
   43    HA   LYS   6           HA       LYS   6   6.647 -11.664   8.670
   44   1HB   LYS   6          1HB       LYS   6   7.517  -9.821  10.866
   45   2HB   LYS   6          2HB       LYS   6   5.798 -10.197  10.725
   46   1HG   LYS   6          1HG       LYS   6   6.810 -12.684  10.458
   47   2HG   LYS   6          2HG       LYS   6   8.071 -11.969  11.464
   48   1HD   LYS   6          1HD       LYS   6   6.668 -11.689  13.265
   49   2HD   LYS   6          2HD       LYS   6   5.246 -11.436  12.253
   50   1HE   LYS   6          1HE       LYS   6   6.521 -14.146  12.195
   51   2HE   LYS   6          2HE       LYS   6   5.546 -13.710  13.612
   52   1HZ   LYS   6          1HZ       LYS   6   4.327 -14.673  11.595
   53   2HZ   LYS   6          2HZ       LYS   6   4.591 -13.159  10.871
   54   3HZ   LYS   6          3HZ       LYS   6   3.688 -13.272  12.305
   55    H    MET   7           H        MET   7   6.558 -10.382   6.477
   56    HA   MET   7           HA       MET   7   4.585  -8.167   6.836
   57   1HB   MET   7          1HB       MET   7   5.825  -6.821   5.211
   58   2HB   MET   7          2HB       MET   7   6.919  -7.297   6.506
   59   1HG   MET   7          1HG       MET   7   7.875  -9.050   5.152
   60   2HG   MET   7          2HG       MET   7   6.654  -8.816   3.900
   61   1HE   MET   7          1HE       MET   7   9.314  -7.030   6.037
   62   2HE   MET   7          2HE       MET   7   8.076  -5.787   5.880
   63   3HE   MET   7          3HE       MET   7   9.652  -5.549   5.132
   64    HA   PRO   8           HA       PRO   8   2.393 -10.183   3.605
   65   1HB   PRO   8          1HB       PRO   8   1.454  -8.101   2.088
   66   2HB   PRO   8          2HB       PRO   8   0.798  -8.515   3.686
   67   1HG   PRO   8          1HG       PRO   8   2.758  -6.394   2.938
   68   2HG   PRO   8          2HG       PRO   8   1.403  -6.326   4.076
   69   1HD   PRO   8          1HD       PRO   8   3.958  -6.620   4.887
   70   2HD   PRO   8          2HD       PRO   8   2.590  -7.335   5.765
   71    H    GLN   9           H        GLN   9   2.626 -10.875   1.401
   72    HA   GLN   9           HA       GLN   9   5.235 -10.579   0.233
   73   1HB   GLN   9          1HB       GLN   9   2.563 -11.615  -0.761
   74   2HB   GLN   9          2HB       GLN   9   4.061 -11.780  -1.679
   75   1HG   GLN   9          1HG       GLN   9   4.921 -12.735   0.680
   76   2HG   GLN   9          2HG       GLN   9   3.213 -13.149   0.828
   77   1HE2  GLN   9          1HE2      GLN   9   6.148 -14.290  -0.389
   78   2HE2  GLN   9          2HE2      GLN   9   5.541 -15.421  -1.501
   79    H    PHE  10           H        PHE  10   2.316  -8.705  -0.037
   80    HA   PHE  10           HA       PHE  10   2.762  -7.548  -2.637
   81   1HB   PHE  10          1HB       PHE  10   0.608  -7.539  -1.476
   82   2HB   PHE  10          2HB       PHE  10   1.295  -6.594  -0.155
   83    HD1  PHE  10           HD1      PHE  10   1.445  -4.221  -0.279
   84    HD2  PHE  10           HD2      PHE  10   0.539  -6.523  -3.818
   85    HE1  PHE  10           HE1      PHE  10   0.937  -2.117  -1.517
   86    HE2  PHE  10           HE2      PHE  10   0.031  -4.419  -5.054
   87    HZ   PHE  10           HZ       PHE  10   0.229  -2.217  -3.904
   88    H    LEU  11           H        LEU  11   4.185  -6.974   0.491
   89    HA   LEU  11           HA       LEU  11   5.282  -4.341  -0.374
   90   1HB   LEU  11          1HB       LEU  11   5.233  -5.852   2.257
   91   2HB   LEU  11          2HB       LEU  11   5.950  -4.253   2.045
   92    HG   LEU  11           HG       LEU  11   3.054  -4.961   1.484
   93   1HD1  LEU  11          1HD1      LEU  11   2.505  -3.847   3.498
   94   2HD1  LEU  11          2HD1      LEU  11   4.106  -3.123   3.633
   95   3HD1  LEU  11          3HD1      LEU  11   3.892  -4.849   3.928
   96   1HD2  LEU  11          1HD2      LEU  11   3.056  -2.307   1.534
   97   2HD2  LEU  11          2HD2      LEU  11   3.475  -3.174   0.056
   98   3HD2  LEU  11          3HD2      LEU  11   4.748  -2.522   1.086
   99    H    ASN  12           H        ASN  12   6.181  -7.189  -1.254
  100    HA   ASN  12           HA       ASN  12   8.831  -7.573  -0.137
  101   1HB   ASN  12          1HB       ASN  12   7.024  -8.970  -1.704
  102   2HB   ASN  12          2HB       ASN  12   8.314  -8.586  -2.846
  103   1HD2  ASN  12          1HD2      ASN  12   7.395 -10.974  -0.755
  104   2HD2  ASN  12          2HD2      ASN  12   8.918 -11.588  -0.326
  105    H    ARG  13           H        ARG  13   7.505  -5.661  -2.770
  106    HA   ARG  13           HA       ARG  13  10.115  -5.143  -4.009
  107   1HB   ARG  13          1HB       ARG  13   7.249  -4.565  -4.447
  108   2HB   ARG  13          2HB       ARG  13   8.349  -3.312  -5.022
  109   1HG   ARG  13          1HG       ARG  13   8.063  -4.846  -6.842
  110   2HG   ARG  13          2HG       ARG  13   9.666  -5.159  -6.172
  111   1HD   ARG  13          1HD       ARG  13   8.003  -6.810  -4.661
  112   2HD   ARG  13          2HD       ARG  13   7.354  -6.941  -6.308
  113    HE   ARG  13           HE       ARG  13  10.177  -7.527  -5.531
  114   1HH1  ARG  13          1HH1      ARG  13   9.637  -6.416  -8.348
  115   2HH1  ARG  13          2HH1      ARG  13   9.537  -7.887  -9.258
  116   1HH2  ARG  13          1HH2      ARG  13   9.166  -9.905  -6.465
  117   2HH2  ARG  13          2HH2      ARG  13   9.270  -9.860  -8.193
  118    H    TRP  14           H        TRP  14   8.102  -3.718  -1.554
  119    HA   TRP  14           HA       TRP  14   9.123  -1.037  -1.600
  120   1HB   TRP  14          1HB       TRP  14   7.844  -2.830   0.468
  121   2HB   TRP  14          2HB       TRP  14   8.226  -1.145   0.783
  122    HD1  TRP  14           HD1      TRP  14   6.920  -2.376  -2.621
  123    HE1  TRP  14           HE1      TRP  14   4.616  -1.298  -3.036
  124    HE3  TRP  14           HE3      TRP  14   6.247  -0.097   1.867
  125    HZ2  TRP  14           HZ2      TRP  14   2.709   0.345  -1.623
  126    HZ3  TRP  14           HZ3      TRP  14   4.176   1.228   2.341
  127    HH2  TRP  14           HH2      TRP  14   2.412   1.449   0.594
  128    HA   PRO  15           HA       PRO  15  13.141  -1.927   0.046
  129   1HB   PRO  15          1HB       PRO  15  13.808   0.587   0.907
  130   2HB   PRO  15          2HB       PRO  15  13.845   0.097  -0.797
  131   1HG   PRO  15          1HG       PRO  15  11.781   1.647   0.681
  132   2HG   PRO  15          2HG       PRO  15  12.389   1.869  -0.966
  133   1HD   PRO  15          1HD       PRO  15  10.011   0.669  -0.402
  134   2HD   PRO  15          2HD       PRO  15  10.981   0.281  -1.840
  135    H    ARG  16           H        ARG  16  14.327  -1.661   2.181
  136    HA   ARG  16           HA       ARG  16  12.540  -2.256   4.380
  137   1HB   ARG  16          1HB       ARG  16  14.428  -3.495   4.634
  138   2HB   ARG  16          2HB       ARG  16  15.355  -2.442   3.587
  139   1HG   ARG  16          1HG       ARG  16  16.047  -1.080   5.326
  140   2HG   ARG  16          2HG       ARG  16  14.691  -1.525   6.363
  141   1HD   ARG  16          1HD       ARG  16  16.826  -2.571   7.139
  142   2HD   ARG  16          2HD       ARG  16  15.647  -3.800   6.637
  143    HE   ARG  16           HE       ARG  16  17.137  -3.051   4.341
  144   1HH1  ARG  16          1HH1      ARG  16  16.940  -5.302   6.846
  145   2HH1  ARG  16          2HH1      ARG  16  18.496  -6.008   6.561
  146   1HH2  ARG  16          1HH2      ARG  16  19.426  -3.648   4.196
  147   2HH2  ARG  16          2HH2      ARG  16  19.902  -5.072   5.062
  148    H    GLU  17           H        GLU  17  14.112   0.592   3.143
  149    HA   GLU  17           HA       GLU  17  14.185   2.106   5.608
  150   1HB   GLU  17          1HB       GLU  17  14.578   2.498   2.692
  151   2HB   GLU  17          2HB       GLU  17  14.136   3.944   3.599
  152   1HG   GLU  17          1HG       GLU  17  16.004   3.591   5.136
  153   2HG   GLU  17          2HG       GLU  17  16.421   2.085   4.319
  154    H    VAL  18           H        VAL  18  11.774   1.491   3.123
  155    HA   VAL  18           HA       VAL  18   9.964   3.606   4.113
  156    HB   VAL  18           HB       VAL  18   9.755   1.418   2.010
  157   1HG1  VAL  18          1HG1      VAL  18   7.788   2.902   1.239
  158   2HG1  VAL  18          2HG1      VAL  18   7.827   3.585   2.864
  159   3HG1  VAL  18          3HG1      VAL  18   7.509   1.865   2.639
  160   1HG2  VAL  18          1HG2      VAL  18  10.091   3.225   0.430
  161   2HG2  VAL  18          2HG2      VAL  18  11.379   3.314   1.629
  162   3HG2  VAL  18          3HG2      VAL  18  10.016   4.428   1.718
  163    H    LEU  19           H        LEU  19  10.059   0.031   4.012
  164    HA   LEU  19           HA       LEU  19   7.590  -0.428   5.371
  165   1HB   LEU  19          1HB       LEU  19  10.169  -1.966   5.017
  166   2HB   LEU  19          2HB       LEU  19   8.776  -2.663   5.844
  167    HG   LEU  19           HG       LEU  19   8.558  -1.441   3.090
  168   1HD1  LEU  19          1HD1      LEU  19   9.264  -3.365   2.087
  169   2HD1  LEU  19          2HD1      LEU  19   8.591  -4.389   3.355
  170   3HD1  LEU  19          3HD1      LEU  19  10.150  -3.598   3.594
  171   1HD2  LEU  19          1HD2      LEU  19   6.429  -2.371   3.063
  172   2HD2  LEU  19          2HD2      LEU  19   6.594  -2.021   4.786
  173   3HD2  LEU  19          3HD2      LEU  19   6.867  -3.658   4.188
  174    H    ASP  20           H        ASP  20  10.833   0.287   6.559
  175    HA   ASP  20           HA       ASP  20  10.429  -0.491   9.298
  176   1HB   ASP  20          1HB       ASP  20  12.603  -0.019   8.126
  177   2HB   ASP  20          2HB       ASP  20  12.185   1.696   8.131
  178    H    LEU  21           H        LEU  21   9.504   2.309   7.433
  179    HA   LEU  21           HA       LEU  21   8.844   3.953   9.785
  180   1HB   LEU  21          1HB       LEU  21   9.784   4.894   7.717
  181   2HB   LEU  21          2HB       LEU  21   8.430   4.245   6.793
  182    HG   LEU  21           HG       LEU  21   6.940   5.624   8.408
  183   1HD1  LEU  21          1HD1      LEU  21   7.918   7.381   9.605
  184   2HD1  LEU  21          2HD1      LEU  21   9.397   7.341   8.645
  185   3HD1  LEU  21          3HD1      LEU  21   9.088   6.083   9.845
  186   1HD2  LEU  21          1HD2      LEU  21   7.387   7.694   7.010
  187   2HD2  LEU  21          2HD2      LEU  21   7.133   6.210   6.091
  188   3HD2  LEU  21          3HD2      LEU  21   8.764   6.837   6.319
  189    H    VAL  22           H        VAL  22   7.099   2.265   7.157
  190    HA   VAL  22           HA       VAL  22   4.440   2.908   7.801
  191    HB   VAL  22           HB       VAL  22   5.593   0.248   6.895
  192   1HG1  VAL  22          1HG1      VAL  22   3.464  -0.180   5.925
  193   2HG1  VAL  22          2HG1      VAL  22   2.933   1.484   6.168
  194   3HG1  VAL  22          3HG1      VAL  22   3.123   0.406   7.552
  195   1HG2  VAL  22          1HG2      VAL  22   4.705   1.644   4.663
  196   2HG2  VAL  22          2HG2      VAL  22   6.389   1.453   5.151
  197   3HG2  VAL  22          3HG2      VAL  22   5.488   2.892   5.634
  198    H    ARG  23           H        ARG  23   6.508   0.323   9.112
  199    HA   ARG  23           HA       ARG  23   4.722  -1.067  10.754
  200   1HB   ARG  23          1HB       ARG  23   7.367  -1.087  10.227
  201   2HB   ARG  23          2HB       ARG  23   7.408  -0.351  11.829
  202   1HG   ARG  23          1HG       ARG  23   6.739  -2.264  12.866
  203   2HG   ARG  23          2HG       ARG  23   5.621  -2.686  11.569
  204   1HD   ARG  23          1HD       ARG  23   8.640  -2.928  11.330
  205   2HD   ARG  23          2HD       ARG  23   7.567  -4.279  11.747
  206    HE   ARG  23           HE       ARG  23   6.832  -2.771   9.319
  207   1HH1  ARG  23          1HH1      ARG  23   9.532  -4.491   9.567
  208   2HH1  ARG  23          2HH1      ARG  23   9.031  -5.876   8.655
  209   1HH2  ARG  23          1HH2      ARG  23   5.680  -4.987   8.646
  210   2HH2  ARG  23          2HH2      ARG  23   6.850  -6.156   8.134
  211    H    LYS  24           H        LYS  24   6.849   1.559  11.894
  212    HA   LYS  24           HA       LYS  24   5.725   1.945  14.442
  213   1HB   LYS  24          1HB       LYS  24   7.561   3.191  12.631
  214   2HB   LYS  24          2HB       LYS  24   6.534   4.449  13.319
  215   1HG   LYS  24          1HG       LYS  24   8.280   4.263  14.882
  216   2HG   LYS  24          2HG       LYS  24   6.996   3.286  15.593
  217   1HD   LYS  24          1HD       LYS  24   8.013   1.248  14.828
  218   2HD   LYS  24          2HD       LYS  24   9.169   2.132  13.829
  219   1HE   LYS  24          1HE       LYS  24  10.384   1.519  15.803
  220   2HE   LYS  24          2HE       LYS  24   9.958   3.225  16.044
  221   1HZ   LYS  24          1HZ       LYS  24   9.302   2.031  17.990
  222   2HZ   LYS  24          2HZ       LYS  24   8.494   0.854  17.069
  223   3HZ   LYS  24          3HZ       LYS  24   7.891   2.439  17.142
  224    H    VAL  25           H        VAL  25   4.498   2.964  11.314
  225    HA   VAL  25           HA       VAL  25   2.652   4.963  12.392
  226    HB   VAL  25           HB       VAL  25   2.761   3.561   9.704
  227   1HG1  VAL  25          1HG1      VAL  25   1.709   6.316  10.377
  228   2HG1  VAL  25          2HG1      VAL  25   0.677   4.887  10.329
  229   3HG1  VAL  25          3HG1      VAL  25   1.509   5.423   8.868
  230   1HG2  VAL  25          1HG2      VAL  25   3.837   6.262   9.815
  231   2HG2  VAL  25          2HG2      VAL  25   4.584   4.792   9.191
  232   3HG2  VAL  25          3HG2      VAL  25   4.709   5.185  10.905
  233    H    ALA  26           H        ALA  26   2.493   1.542  11.543
  234    HA   ALA  26           HA       ALA  26  -0.417   1.374  11.670
  235   1HB   ALA  26          1HB       ALA  26   0.188  -1.100  11.643
  236   2HB   ALA  26          2HB       ALA  26   1.879  -0.601  11.664
  237   3HB   ALA  26          3HB       ALA  26   0.846  -0.159  10.303
  238    H    GLU  27           H        GLU  27   2.262   1.037  13.920
  239    HA   GLU  27           HA       GLU  27   0.567  -0.177  16.009
  240   1HB   GLU  27          1HB       GLU  27   3.370   0.144  15.351
  241   2HB   GLU  27          2HB       GLU  27   3.074   0.623  17.022
  242   1HG   GLU  27          1HG       GLU  27   2.304  -1.490  17.637
  243   2HG   GLU  27          2HG       GLU  27   1.852  -1.916  15.985
  244    H    GLU  28           H        GLU  28   1.458   3.010  14.968
  245    HA   GLU  28           HA       GLU  28   1.057   4.181  17.666
  246   1HB   GLU  28          1HB       GLU  28   1.760   6.231  16.583
  247   2HB   GLU  28          2HB       GLU  28   2.810   4.936  16.015
  248   1HG   GLU  28          1HG       GLU  28   1.551   4.750  13.949
  249   2HG   GLU  28          2HG       GLU  28   0.356   5.910  14.523
  250    H    ASN  29           H        ASN  29  -0.650   3.899  14.579
  251    HA   ASN  29           HA       ASN  29  -2.794   5.739  15.339
  252   1HB   ASN  29          1HB       ASN  29  -2.024   3.959  13.082
  253   2HB   ASN  29          2HB       ASN  29  -3.744   4.319  13.237
  254   1HD2  ASN  29          1HD2      ASN  29  -0.729   5.570  12.141
  255   2HD2  ASN  29          2HD2      ASN  29  -1.244   7.156  11.830
  256    H    GLY  30           H        GLY  30  -2.166   2.294  15.609
  257   1HA   GLY  30          1HA       GLY  30  -3.354   0.972  17.291
  258   2HA   GLY  30          2HA       GLY  30  -4.765   2.002  17.042
  259    H    ARG  31           H        ARG  31  -2.968   0.927  14.267
  260    HA   ARG  31           HA       ARG  31  -5.069  -1.142  13.702
  261   1HB   ARG  31          1HB       ARG  31  -3.882   0.773  11.673
  262   2HB   ARG  31          2HB       ARG  31  -5.304  -0.252  11.483
  263   1HG   ARG  31          1HG       ARG  31  -5.950   1.251  13.707
  264   2HG   ARG  31          2HG       ARG  31  -5.059   2.404  12.711
  265   1HD   ARG  31          1HD       ARG  31  -6.535   1.720  10.761
  266   2HD   ARG  31          2HD       ARG  31  -7.526   0.822  11.928
  267    HE   ARG  31           HE       ARG  31  -6.933   3.703  12.425
  268   1HH1  ARG  31          1HH1      ARG  31  -9.156   2.943  10.419
  269   2HH1  ARG  31          2HH1      ARG  31 -10.540   3.033  11.446
  270   1HH2  ARG  31          1HH2      ARG  31  -8.705   3.031  14.385
  271   2HH2  ARG  31          2HH2      ARG  31 -10.290   3.085  13.693
  272    H    SER  32           H        SER  32  -4.013  -1.816  11.163
  273    HA   SER  32           HA       SER  32  -1.403  -3.057  11.938
  274   1HB   SER  32          1HB       SER  32  -3.846  -3.897  10.495
  275   2HB   SER  32          2HB       SER  32  -2.339  -4.413   9.743
  276    HG   SER  32           HG       SER  32  -1.771  -5.092  11.983
  277    H    VAL  33           H        VAL  33  -0.183  -3.594   9.672
  278    HA   VAL  33           HA       VAL  33   0.462  -1.005   8.528
  279    HB   VAL  33           HB       VAL  33   1.296  -3.862   7.957
  280   1HG1  VAL  33          1HG1      VAL  33   2.026  -1.254   6.746
  281   2HG1  VAL  33          2HG1      VAL  33   2.058  -2.870   6.042
  282   3HG1  VAL  33          3HG1      VAL  33   3.359  -2.347   7.113
  283   1HG2  VAL  33          1HG2      VAL  33   3.004  -3.514   9.506
  284   2HG2  VAL  33          2HG2      VAL  33   1.700  -2.572  10.235
  285   3HG2  VAL  33          3HG2      VAL  33   2.963  -1.759   9.306
  286    H    ASN  34           H        ASN  34  -1.723  -3.581   7.717
  287    HA   ASN  34           HA       ASN  34  -1.882  -3.024   4.850
  288   1HB   ASN  34          1HB       ASN  34  -2.501  -5.153   6.194
  289   2HB   ASN  34          2HB       ASN  34  -3.981  -4.298   6.627
  290   1HD2  ASN  34          1HD2      ASN  34  -4.939  -6.215   5.298
  291   2HD2  ASN  34          2HD2      ASN  34  -5.084  -5.986   3.623
  292    H    SER  35           H        SER  35  -3.439  -1.863   7.787
  293    HA   SER  35           HA       SER  35  -5.500  -0.345   6.339
  294   1HB   SER  35          1HB       SER  35  -4.857  -1.195   9.034
  295   2HB   SER  35          2HB       SER  35  -5.217   0.528   9.018
  296    HG   SER  35           HG       SER  35  -7.148  -0.533   9.213
  297    H    GLU  36           H        GLU  36  -2.399   0.277   7.982
  298    HA   GLU  36           HA       GLU  36  -2.403   3.116   7.887
  299   1HB   GLU  36          1HB       GLU  36  -0.843   1.498   9.073
  300   2HB   GLU  36          2HB       GLU  36  -0.068   1.219   7.513
  301   1HG   GLU  36          1HG       GLU  36  -0.423   4.058   8.188
  302   2HG   GLU  36          2HG       GLU  36   0.654   3.183   9.275
  303    H    ILE  37           H        ILE  37  -1.017   0.750   5.575
  304    HA   ILE  37           HA       ILE  37  -0.216   2.669   3.602
  305    HB   ILE  37           HB       ILE  37  -1.056  -0.248   3.407
  306   1HG1  ILE  37          1HG1      ILE  37   0.790   0.261   5.022
  307   2HG1  ILE  37          2HG1      ILE  37   1.321  -0.732   3.667
  308   1HG2  ILE  37          1HG2      ILE  37   0.162   1.664   1.458
  309   2HG2  ILE  37          2HG2      ILE  37  -0.967   0.340   1.173
  310   3HG2  ILE  37          3HG2      ILE  37   0.741  -0.002   1.454
  311   1HD1  ILE  37          1HD1      ILE  37   1.718   2.257   3.991
  312   2HD1  ILE  37          2HD1      ILE  37   2.108   1.360   2.522
  313   3HD1  ILE  37          3HD1      ILE  37   2.969   1.012   4.021
  314    H    TYR  38           H        TYR  38  -3.286   1.135   4.356
  315    HA   TYR  38           HA       TYR  38  -4.626   1.782   1.869
  316   1HB   TYR  38          1HB       TYR  38  -5.286  -0.043   3.361
  317   2HB   TYR  38          2HB       TYR  38  -5.567   1.100   4.673
  318    HD1  TYR  38           HD1      TYR  38  -7.816   1.468   5.089
  319    HD2  TYR  38           HD2      TYR  38  -6.481   0.939   1.029
  320    HE1  TYR  38           HE1      TYR  38 -10.150   1.823   4.280
  321    HE2  TYR  38           HE2      TYR  38  -8.811   1.293   0.209
  322    HH   TYR  38           HH       TYR  38 -11.010   2.694   1.468
  323    H    GLN  39           H        GLN  39  -3.976   3.478   4.862
  324    HA   GLN  39           HA       GLN  39  -6.038   5.527   4.498
  325   1HB   GLN  39          1HB       GLN  39  -4.471   4.539   6.554
  326   2HB   GLN  39          2HB       GLN  39  -3.711   6.094   6.217
  327   1HG   GLN  39          1HG       GLN  39  -5.345   7.042   7.452
  328   2HG   GLN  39          2HG       GLN  39  -6.456   6.630   6.145
  329   1HE2  GLN  39          1HE2      GLN  39  -6.606   3.837   6.382
  330   2HE2  GLN  39          2HE2      GLN  39  -7.262   3.425   7.892
  331    H    ARG  40           H        ARG  40  -2.456   5.466   4.275
  332    HA   ARG  40           HA       ARG  40  -2.116   8.126   3.294
  333   1HB   ARG  40          1HB       ARG  40  -0.606   5.527   3.262
  334   2HB   ARG  40          2HB       ARG  40   0.013   6.873   2.307
  335   1HG   ARG  40          1HG       ARG  40   1.041   6.975   4.499
  336   2HG   ARG  40          2HG       ARG  40  -0.110   8.306   4.373
  337   1HD   ARG  40          1HD       ARG  40  -1.685   7.238   5.778
  338   2HD   ARG  40          2HD       ARG  40  -0.933   5.648   5.556
  339    HE   ARG  40           HE       ARG  40   0.838   6.306   7.048
  340   1HH1  ARG  40          1HH1      ARG  40   0.577   9.251   5.961
  341   2HH1  ARG  40          2HH1      ARG  40   0.209  10.065   7.444
  342   1HH2  ARG  40          1HH2      ARG  40  -0.530   7.145   9.168
  343   2HH2  ARG  40          2HH2      ARG  40  -0.420   8.872   9.263
  344    H    VAL  41           H        VAL  41  -3.012   5.119   1.739
  345    HA   VAL  41           HA       VAL  41  -2.691   6.130  -1.006
  346    HB   VAL  41           HB       VAL  41  -3.834   3.648   0.309
  347   1HG1  VAL  41          1HG1      VAL  41  -4.383   4.573  -2.300
  348   2HG1  VAL  41          2HG1      VAL  41  -4.671   2.954  -1.662
  349   3HG1  VAL  41          3HG1      VAL  41  -3.157   3.320  -2.487
  350   1HG2  VAL  41          1HG2      VAL  41  -1.781   2.645  -0.150
  351   2HG2  VAL  41          2HG2      VAL  41  -1.285   4.295   0.223
  352   3HG2  VAL  41          3HG2      VAL  41  -1.409   3.770  -1.456
  353    H    MET  42           H        MET  42  -5.159   5.975   1.444
  354    HA   MET  42           HA       MET  42  -7.466   6.203  -0.294
  355   1HB   MET  42          1HB       MET  42  -6.794   5.932   2.481
  356   2HB   MET  42          2HB       MET  42  -7.929   7.262   2.315
  357   1HG   MET  42          1HG       MET  42  -8.772   5.100   0.619
  358   2HG   MET  42          2HG       MET  42  -8.491   4.478   2.244
  359   1HE   MET  42          1HE       MET  42 -10.830   6.211   4.535
  360   2HE   MET  42          2HE       MET  42  -9.218   6.842   4.245
  361   3HE   MET  42          3HE       MET  42  -9.489   5.101   4.252
  362    H    GLU  43           H        GLU  43  -5.774   8.588   1.795
  363    HA   GLU  43           HA       GLU  43  -7.360  10.827   0.918
  364   1HB   GLU  43          1HB       GLU  43  -4.627  10.599   2.213
  365   2HB   GLU  43          2HB       GLU  43  -5.551  12.096   2.093
  366   1HG   GLU  43          1HG       GLU  43  -7.296  11.253   3.482
  367   2HG   GLU  43          2HG       GLU  43  -6.690   9.601   3.361
  368    H    SER  44           H        SER  44  -4.505   9.287  -0.436
  369    HA   SER  44           HA       SER  44  -3.403  11.433  -1.926
  370   1HB   SER  44          1HB       SER  44  -2.598   9.563  -3.402
  371   2HB   SER  44          2HB       SER  44  -2.341   9.255  -1.685
  372    HG   SER  44           HG       SER  44  -3.277   7.461  -2.749
  373    H    PHE  45           H        PHE  45  -5.857   9.036  -2.996
  374    HA   PHE  45           HA       PHE  45  -6.376  10.228  -5.538
  375   1HB   PHE  45          1HB       PHE  45  -8.000   8.518  -3.634
  376   2HB   PHE  45          2HB       PHE  45  -8.505   8.869  -5.287
  377    HD1  PHE  45           HD1      PHE  45  -7.097   6.373  -3.413
  378    HD2  PHE  45           HD2      PHE  45  -6.251   8.668  -6.971
  379    HE1  PHE  45           HE1      PHE  45  -5.652   4.527  -4.261
  380    HE2  PHE  45           HE2      PHE  45  -4.806   6.823  -7.818
  381    HZ   PHE  45           HZ       PHE  45  -4.510   4.750  -6.466
  382    H    LYS  46           H        LYS  46  -7.888  10.699  -2.347
  383    HA   LYS  46           HA       LYS  46 -10.060  12.348  -3.095
  384   1HB   LYS  46          1HB       LYS  46  -9.632  11.323  -0.873
  385   2HB   LYS  46          2HB       LYS  46  -8.298  12.450  -0.626
  386   1HG   LYS  46          1HG       LYS  46  -9.698  14.264  -0.325
  387   2HG   LYS  46          2HG       LYS  46 -10.960  13.587  -1.345
  388   1HD   LYS  46          1HD       LYS  46 -11.620  13.586   1.045
  389   2HD   LYS  46          2HD       LYS  46 -11.520  11.947   0.401
  390   1HE   LYS  46          1HE       LYS  46  -9.331  11.626   1.419
  391   2HE   LYS  46          2HE       LYS  46  -9.301  13.317   1.959
  392   1HZ   LYS  46          1HZ       LYS  46 -10.110  11.764   3.690
  393   2HZ   LYS  46          2HZ       LYS  46 -11.410  11.360   2.683
  394   3HZ   LYS  46          3HZ       LYS  46 -11.250  12.946   3.272
  395    H    LYS  47           H        LYS  47  -6.647  13.068  -3.005
  396    HA   LYS  47           HA       LYS  47  -6.903  15.954  -2.797
  397   1HB   LYS  47          1HB       LYS  47  -4.915  14.354  -2.318
  398   2HB   LYS  47          2HB       LYS  47  -4.625  14.425  -4.055
  399   1HG   LYS  47          1HG       LYS  47  -4.394  16.842  -3.972
  400   2HG   LYS  47          2HG       LYS  47  -4.842  16.862  -2.267
  401   1HD   LYS  47          1HD       LYS  47  -2.807  16.028  -1.575
  402   2HD   LYS  47          2HD       LYS  47  -2.542  15.139  -3.077
  403   1HE   LYS  47          1HE       LYS  47  -1.099  16.841  -3.579
  404   2HE   LYS  47          2HE       LYS  47  -2.571  17.766  -3.947
  405   1HZ   LYS  47          1HZ       LYS  47  -1.274  17.559  -1.279
  406   2HZ   LYS  47          2HZ       LYS  47  -2.700  18.417  -1.619
  407   3HZ   LYS  47          3HZ       LYS  47  -1.224  18.917  -2.296
  408    H    GLU  48           H        GLU  48  -5.865  13.919  -5.570
  409    HA   GLU  48           HA       GLU  48  -6.047  15.919  -7.560
  410   1HB   GLU  48          1HB       GLU  48  -6.413  12.912  -7.580
  411   2HB   GLU  48          2HB       GLU  48  -6.327  13.868  -9.059
  412   1HG   GLU  48          1HG       GLU  48  -4.156  14.826  -7.726
  413   2HG   GLU  48          2HG       GLU  48  -4.183  13.161  -7.143
  414    H    GLY  49           H        GLY  49  -8.573  13.932  -6.098
  415   1HA   GLY  49          1HA       GLY  49 -10.880  14.720  -6.071
  416   2HA   GLY  49          2HA       GLY  49 -10.580  15.534  -7.607
  417    H    ARG  50           H        ARG  50  -9.553  12.228  -6.936
  418    HA   ARG  50           HA       ARG  50 -11.070  11.290  -9.279
  419   1HB   ARG  50          1HB       ARG  50  -9.209   9.952  -7.292
  420   2HB   ARG  50          2HB       ARG  50  -9.826   9.184  -8.755
  421   1HG   ARG  50          1HG       ARG  50  -8.465  11.846  -8.985
  422   2HG   ARG  50          2HG       ARG  50  -7.479  10.399  -8.784
  423   1HD   ARG  50          1HD       ARG  50  -7.655  10.304 -11.076
  424   2HD   ARG  50          2HD       ARG  50  -9.222   9.554 -10.716
  425    HE   ARG  50           HE       ARG  50  -9.461  12.422 -10.638
  426   1HH1  ARG  50          1HH1      ARG  50  -7.955  11.182 -13.196
  427   2HH1  ARG  50          2HH1      ARG  50  -9.255  11.310 -14.334
  428   1HH2  ARG  50          1HH2      ARG  50 -11.650  11.975 -11.917
  429   2HH2  ARG  50          2HH2      ARG  50 -11.350  11.762 -13.609
  430    H    ILE  51           H        ILE  51 -10.980  10.614  -5.764
  431    HA   ILE  51           HA       ILE  51 -13.580   9.151  -6.047
  432    HB   ILE  51           HB       ILE  51 -12.910   8.225  -3.814
  433   1HG1  ILE  51          1HG1      ILE  51 -10.210   9.460  -4.264
  434   2HG1  ILE  51          2HG1      ILE  51 -11.450  10.357  -3.395
  435   1HG2  ILE  51          1HG2      ILE  51 -12.300   7.109  -5.963
  436   2HG2  ILE  51          2HG2      ILE  51 -11.130   6.798  -4.675
  437   3HG2  ILE  51          3HG2      ILE  51 -10.760   7.974  -5.934
  438   1HD1  ILE  51          1HD1      ILE  51  -9.747   8.370  -2.347
  439   2HD1  ILE  51          2HD1      ILE  51 -11.340   7.637  -2.429
  440   3HD1  ILE  51          3HD1      ILE  51 -11.110   9.139  -1.535
  441    H    GLY  52           H        GLY  52 -15.090   9.488  -4.128
  442   1HA   GLY  52          1HA       GLY  52 -15.010  12.356  -3.279
  443   2HA   GLY  52          2HA       GLY  52 -16.500  11.460  -3.560
  444    H    ALA  53           H        ALA  53 -16.110   9.121  -2.224
  445    HA   ALA  53           HA       ALA  53 -15.020   9.547   0.454
  446   1HB   ALA  53          1HB       ALA  53 -17.830  10.137  -0.266
  447   2HB   ALA  53          2HB       ALA  53 -16.870  10.725   1.094
  448   3HB   ALA  53          3HB       ALA  53 -17.630   9.137   1.173
  449   1H    MET   1          1H        MET   1 -18.920 -17.915  -4.429
  450   2H    MET   1          2H        MET   1 -19.360 -16.272  -4.436
  451   3H    MET   1          3H        MET   1 -17.930 -16.770  -3.656
  452    HA   MET   1           HA       MET   1 -18.460 -16.769  -6.583
  453   1HB   MET   1          1HB       MET   1 -16.990 -15.132  -4.562
  454   2HB   MET   1          2HB       MET   1 -16.240 -15.320  -6.148
  455   1HG   MET   1          1HG       MET   1 -18.220 -14.451  -7.249
  456   2HG   MET   1          2HG       MET   1 -19.100 -14.418  -5.724
  457   1HE   MET   1          1HE       MET   1 -15.210 -13.269  -6.229
  458   2HE   MET   1          2HE       MET   1 -15.640 -11.818  -7.127
  459   3HE   MET   1          3HE       MET   1 -16.170 -13.394  -7.704
  460    H    LYS   2           H        LYS   2 -16.290 -17.256  -7.730
  461    HA   LYS   2           HA       LYS   2 -14.970 -19.572  -6.360
  462   1HB   LYS   2          1HB       LYS   2 -16.450 -19.546  -8.630
  463   2HB   LYS   2          2HB       LYS   2 -14.860 -19.224  -9.311
  464   1HG   LYS   2          1HG       LYS   2 -14.830 -21.540  -9.298
  465   2HG   LYS   2          2HG       LYS   2 -14.150 -21.216  -7.702
  466   1HD   LYS   2          1HD       LYS   2 -16.390 -21.446  -6.698
  467   2HD   LYS   2          2HD       LYS   2 -17.070 -21.780  -8.294
  468   1HE   LYS   2          1HE       LYS   2 -14.760 -23.460  -7.377
  469   2HE   LYS   2          2HE       LYS   2 -16.370 -23.789  -6.697
  470   1HZ   LYS   2          1HZ       LYS   2 -15.960 -23.376  -9.597
  471   2HZ   LYS   2          2HZ       LYS   2 -17.280 -24.097  -8.806
  472   3HZ   LYS   2          3HZ       LYS   2 -15.790 -24.911  -8.896
  473    H    GLY   3           H        GLY   3 -14.480 -16.629  -8.246
  474   1HA   GLY   3          1HA       GLY   3 -11.980 -15.967  -7.193
  475   2HA   GLY   3          2HA       GLY   3 -11.640 -16.953  -8.616
  476    H    MET   4           H        MET   4 -11.980 -16.070 -10.663
  477    HA   MET   4           HA       MET   4 -12.180 -14.323 -12.244
  478   1HB   MET   4          1HB       MET   4 -14.470 -14.086 -10.317
  479   2HB   MET   4          2HB       MET   4 -14.280 -12.851 -11.562
  480   1HG   MET   4          1HG       MET   4 -15.710 -14.536 -12.494
  481   2HG   MET   4          2HG       MET   4 -14.130 -14.742 -13.254
  482   1HE   MET   4          1HE       MET   4 -13.560 -16.544 -13.870
  483   2HE   MET   4          2HE       MET   4 -14.900 -17.691 -13.781
  484   3HE   MET   4          3HE       MET   4 -13.350 -18.085 -13.024
  485    H    SER   5           H        SER   5 -10.430 -13.883  -9.836
  486    HA   SER   5           HA       SER   5 -10.430 -10.885  -9.909
  487   1HB   SER   5          1HB       SER   5 -10.340 -12.838  -7.629
  488   2HB   SER   5          2HB       SER   5  -9.511 -11.296  -7.460
  489    HG   SER   5           HG       SER   5 -12.220 -11.872  -7.627
  490    H    LYS   6           H        LYS   6  -8.211 -10.018  -9.306
  491    HA   LYS   6           HA       LYS   6  -5.949 -11.893  -9.588
  492   1HB   LYS   6          1HB       LYS   6  -6.967 -10.039 -11.711
  493   2HB   LYS   6          2HB       LYS   6  -5.223 -10.275 -11.577
  494   1HG   LYS   6          1HG       LYS   6  -6.019 -12.845 -11.417
  495   2HG   LYS   6          2HG       LYS   6  -7.336 -12.201 -12.400
  496   1HD   LYS   6          1HD       LYS   6  -5.961 -11.723 -14.180
  497   2HD   LYS   6          2HD       LYS   6  -4.568 -11.392 -13.151
  498   1HE   LYS   6          1HE       LYS   6  -5.603 -14.203 -13.216
  499   2HE   LYS   6          2HE       LYS   6  -4.669 -13.623 -14.610
  500   1HZ   LYS   6          1HZ       LYS   6  -3.373 -14.567 -12.634
  501   2HZ   LYS   6          2HZ       LYS   6  -3.768 -13.116 -11.842
  502   3HZ   LYS   6          3HZ       LYS   6  -2.858 -13.084 -13.276
  503    H    MET   7           H        MET   7  -5.972 -10.702  -7.344
  504    HA   MET   7           HA       MET   7  -4.198  -8.312  -7.600
  505   1HB   MET   7          1HB       MET   7  -5.547  -7.153  -5.917
  506   2HB   MET   7          2HB       MET   7  -6.594  -7.657  -7.240
  507   1HG   MET   7          1HG       MET   7  -7.397  -9.551  -5.975
  508   2HG   MET   7          2HG       MET   7  -6.208  -9.266  -4.704
  509   1HE   MET   7          1HE       MET   7  -9.007  -7.626  -6.781
  510   2HE   MET   7          2HE       MET   7  -7.881  -6.289  -6.560
  511   3HE   MET   7          3HE       MET   7  -9.474  -6.222  -5.813
  512    HA   PRO   8           HA       PRO   8  -1.845 -10.277  -4.451
  513   1HB   PRO   8          1HB       PRO   8  -1.083  -8.194  -2.839
  514   2HB   PRO   8          2HB       PRO   8  -0.395  -8.477  -4.452
  515   1HG   PRO   8          1HG       PRO   8  -2.526  -6.568  -3.615
  516   2HG   PRO   8          2HG       PRO   8  -1.183  -6.332  -4.744
  517   1HD   PRO   8          1HD       PRO   8  -3.704  -6.805  -5.576
  518   2HD   PRO   8          2HD       PRO   8  -2.280  -7.359  -6.483
  519    H    GLN   9           H        GLN   9  -2.018 -11.076  -2.276
  520    HA   GLN   9           HA       GLN   9  -4.644 -11.056  -1.113
  521   1HB   GLN   9          1HB       GLN   9  -1.895 -11.896  -0.151
  522   2HB   GLN   9          2HB       GLN   9  -3.371 -12.229   0.756
  523   1HG   GLN   9          1HG       GLN   9  -4.151 -13.151  -1.644
  524   2HG   GLN   9          2HG       GLN   9  -2.412 -13.409  -1.807
  525   1HE2  GLN   9          1HE2      GLN   9  -5.235 -14.856  -0.652
  526   2HE2  GLN   9          2HE2      GLN   9  -4.532 -15.973   0.415
  527    H    PHE  10           H        PHE  10  -1.898  -8.950  -0.739
  528    HA   PHE  10           HA       PHE  10  -2.447  -7.943   1.900
  529   1HB   PHE  10          1HB       PHE  10  -0.305  -7.700   0.742
  530   2HB   PHE  10          2HB       PHE  10  -1.075  -6.762  -0.538
  531    HD1  PHE  10           HD1      PHE  10  -1.420  -4.418  -0.312
  532    HD2  PHE  10           HD2      PHE  10  -0.334  -6.787   3.128
  533    HE1  PHE  10           HE1      PHE  10  -1.095  -2.336   1.017
  534    HE2  PHE  10           HE2      PHE  10  -0.011  -4.703   4.459
  535    HZ   PHE  10           HZ       PHE  10  -0.390  -2.479   3.403
  536    H    LEU  11           H        LEU  11  -3.908  -7.360  -1.209
  537    HA   LEU  11           HA       LEU  11  -5.230  -4.871  -0.237
  538   1HB   LEU  11          1HB       LEU  11  -5.046  -6.267  -2.923
  539   2HB   LEU  11          2HB       LEU  11  -5.902  -4.747  -2.654
  540    HG   LEU  11           HG       LEU  11  -2.956  -5.221  -2.107
  541   1HD1  LEU  11          1HD1      LEU  11  -2.504  -3.979  -4.070
  542   2HD1  LEU  11          2HD1      LEU  11  -4.163  -3.391  -4.182
  543   3HD1  LEU  11          3HD1      LEU  11  -3.800  -5.078  -4.547
  544   1HD2  LEU  11          1HD2      LEU  11  -3.188  -2.577  -2.047
  545   2HD2  LEU  11          2HD2      LEU  11  -3.531  -3.536  -0.606
  546   3HD2  LEU  11          3HD2      LEU  11  -4.856  -2.953  -1.613
  547    H    ASN  12           H        ASN  12  -5.883  -7.825   0.513
  548    HA   ASN  12           HA       ASN  12  -8.488  -8.385  -0.629
  549   1HB   ASN  12          1HB       ASN  12  -6.565  -9.687   0.880
  550   2HB   ASN  12          2HB       ASN  12  -7.881  -9.468   2.034
  551   1HD2  ASN  12          1HD2      ASN  12  -6.762 -11.677  -0.149
  552   2HD2  ASN  12          2HD2      ASN  12  -8.225 -12.400  -0.611
  553    H    ARG  13           H        ARG  13  -7.334  -6.481   2.085
  554    HA   ARG  13           HA       ARG  13  -9.981  -6.247   3.335
  555   1HB   ARG  13          1HB       ARG  13  -7.175  -5.450   3.815
  556   2HB   ARG  13          2HB       ARG  13  -8.378  -4.317   4.435
  557   1HG   ARG  13          1HG       ARG  13  -7.975  -5.898   6.191
  558   2HG   ARG  13          2HG       ARG  13  -9.539  -6.318   5.494
  559   1HD   ARG  13          1HD       ARG  13  -7.736  -7.751   3.927
  560   2HD   ARG  13          2HD       ARG  13  -7.082  -7.897   5.571
  561    HE   ARG  13           HE       ARG  13  -9.841  -8.693   4.754
  562   1HH1  ARG  13          1HH1      ARG  13  -9.399  -7.659   7.618
  563   2HH1  ARG  13          2HH1      ARG  13  -9.173  -9.152   8.465
  564   1HH2  ARG  13          1HH2      ARG  13  -8.625 -11.008   5.588
  565   2HH2  ARG  13          2HH2      ARG  13  -8.734 -11.049   7.316
  566    H    TRP  14           H        TRP  14  -8.099  -4.555   0.952
  567    HA   TRP  14           HA       TRP  14  -9.345  -1.974   1.113
  568   1HB   TRP  14          1HB       TRP  14  -7.901  -3.561  -1.015
  569   2HB   TRP  14          2HB       TRP  14  -8.434  -1.907  -1.273
  570    HD1  TRP  14           HD1      TRP  14  -7.044  -3.147   2.093
  571    HE1  TRP  14           HE1      TRP  14  -4.857  -1.877   2.582
  572    HE3  TRP  14           HE3      TRP  14  -6.541  -0.631  -2.292
  573    HZ2  TRP  14           HZ2      TRP  14  -3.098  -0.013   1.268
  574    HZ3  TRP  14           HZ3      TRP  14  -4.596   0.899  -2.680
  575    HH2  TRP  14           HH2      TRP  14  -2.878   1.207  -0.899
  576    HA   PRO  15           HA       PRO  15 -13.260  -3.136  -0.597
  577   1HB   PRO  15          1HB       PRO  15 -14.140  -0.657  -1.351
  578   2HB   PRO  15          2HB       PRO  15 -14.140  -1.223   0.328
  579   1HG   PRO  15          1HG       PRO  15 -12.220   0.568  -1.064
  580   2HG   PRO  15          2HG       PRO  15 -12.850   0.662   0.588
  581   1HD   PRO  15          1HD       PRO  15 -10.370  -0.298  -0.015
  582   2HD   PRO  15          2HD       PRO  15 -11.310  -0.834   1.398
  583    H    ARG  16           H        ARG  16 -14.460  -2.882  -2.718
  584    HA   ARG  16           HA       ARG  16 -12.630  -3.225  -4.937
  585   1HB   ARG  16          1HB       ARG  16 -14.410  -4.611  -5.240
  586   2HB   ARG  16          2HB       ARG  16 -15.430  -3.675  -4.160
  587   1HG   ARG  16          1HG       ARG  16 -16.220  -2.315  -5.854
  588   2HG   ARG  16          2HG       ARG  16 -14.830  -2.607  -6.897
  589   1HD   ARG  16          1HD       ARG  16 -16.870  -3.794  -7.724
  590   2HD   ARG  16          2HD       ARG  16 -15.600  -4.938  -7.270
  591    HE   ARG  16           HE       ARG  16 -17.150  -4.419  -4.951
  592   1HH1  ARG  16          1HH1      ARG  16 -16.750  -6.535  -7.546
  593   2HH1  ARG  16          2HH1      ARG  16 -18.240  -7.382  -7.305
  594   1HH2  ARG  16          1HH2      ARG  16 -19.380  -5.220  -4.843
  595   2HH2  ARG  16          2HH2      ARG  16 -19.730  -6.638  -5.773
  596    H    GLU  17           H        GLU  17 -14.450  -0.580  -3.584
  597    HA   GLU  17           HA       GLU  17 -14.650   1.030  -5.979
  598   1HB   GLU  17          1HB       GLU  17 -15.070   1.257  -3.049
  599   2HB   GLU  17          2HB       GLU  17 -14.760   2.774  -3.891
  600   1HG   GLU  17          1HG       GLU  17 -16.580   2.328  -5.453
  601   2HG   GLU  17          2HG       GLU  17 -16.870   0.759  -4.703
  602    H    VAL  18           H        VAL  18 -12.200   0.517  -3.514
  603    HA   VAL  18           HA       VAL  18 -10.580   2.819  -4.403
  604    HB   VAL  18           HB       VAL  18 -10.180   0.569  -2.397
  605   1HG1  VAL  18          1HG1      VAL  18  -8.354   2.179  -1.557
  606   2HG1  VAL  18          2HG1      VAL  18  -8.450   2.923  -3.155
  607   3HG1  VAL  18          3HG1      VAL  18  -7.990   1.228  -2.997
  608   1HG2  VAL  18          1HG2      VAL  18 -10.670   2.271  -0.743
  609   2HG2  VAL  18          2HG2      VAL  18 -11.960   2.302  -1.943
  610   3HG2  VAL  18          3HG2      VAL  18 -10.700   3.529  -1.977
  611    H    LEU  19           H        LEU  19 -10.360  -0.750  -4.456
  612    HA   LEU  19           HA       LEU  19  -7.868  -0.934  -5.814
  613   1HB   LEU  19          1HB       LEU  19 -10.300  -2.705  -5.542
  614   2HB   LEU  19          2HB       LEU  19  -8.851  -3.240  -6.395
  615    HG   LEU  19           HG       LEU  19  -8.744  -2.126  -3.589
  616   1HD1  LEU  19          1HD1      LEU  19  -9.283  -4.143  -2.673
  617   2HD1  LEU  19          2HD1      LEU  19  -8.522  -5.051  -3.979
  618   3HD1  LEU  19          3HD1      LEU  19 -10.140  -4.388  -4.194
  619   1HD2  LEU  19          1HD2      LEU  19  -6.543  -2.867  -3.594
  620   2HD2  LEU  19          2HD2      LEU  19  -6.734  -2.458  -5.300
  621   3HD2  LEU  19          3HD2      LEU  19  -6.864  -4.138  -4.774
  622    H    ASP  20           H        ASP  20 -11.150  -0.441  -6.991
  623    HA   ASP  20           HA       ASP  20 -10.670  -1.066  -9.759
  624   1HB   ASP  20          1HB       ASP  20 -12.880  -0.841  -8.578
  625   2HB   ASP  20          2HB       ASP  20 -12.620   0.902  -8.509
  626    H    LEU  21           H        LEU  21  -9.997   1.717  -7.767
  627    HA   LEU  21           HA       LEU  21  -9.486   3.518 -10.039
  628   1HB   LEU  21          1HB       LEU  21 -10.490   4.282  -7.928
  629   2HB   LEU  21          2HB       LEU  21  -9.089   3.712  -7.034
  630    HG   LEU  21           HG       LEU  21  -7.724   5.277  -8.587
  631   1HD1  LEU  21          1HD1      LEU  21  -8.849   6.993  -9.713
  632   2HD1  LEU  21          2HD1      LEU  21 -10.320   6.783  -8.761
  633   3HD1  LEU  21          3HD1      LEU  21  -9.901   5.609 -10.010
  634   1HD2  LEU  21          1HD2      LEU  21  -8.395   7.263  -7.114
  635   2HD2  LEU  21          2HD2      LEU  21  -7.920   5.792  -6.268
  636   3HD2  LEU  21          3HD2      LEU  21  -9.626   6.204  -6.427
  637    H    VAL  22           H        VAL  22  -7.607   1.862  -7.485
  638    HA   VAL  22           HA       VAL  22  -5.012   2.760  -8.090
  639    HB   VAL  22           HB       VAL  22  -5.932  -0.025  -7.299
  640   1HG1  VAL  22          1HG1      VAL  22  -3.770  -0.307  -6.347
  641   2HG1  VAL  22          2HG1      VAL  22  -3.391   1.408  -6.511
  642   3HG1  VAL  22          3HG1      VAL  22  -3.484   0.384  -7.943
  643   1HG2  VAL  22          1HG2      VAL  22  -5.170   1.342  -5.008
  644   2HG2  VAL  22          2HG2      VAL  22  -6.833   1.035  -5.510
  645   3HG2  VAL  22          3HG2      VAL  22  -6.053   2.562  -5.926
  646    H    ARG  23           H        ARG  23  -6.847   0.056  -9.519
  647    HA   ARG  23           HA       ARG  23  -4.945  -1.096 -11.213
  648   1HB   ARG  23          1HB       ARG  23  -7.580  -1.370 -10.702
  649   2HB   ARG  23          2HB       ARG  23  -7.680  -0.574 -12.272
  650   1HG   ARG  23          1HG       ARG  23  -6.840  -2.373 -13.386
  651   2HG   ARG  23          2HG       ARG  23  -5.699  -2.756 -12.097
  652   1HD   ARG  23          1HD       ARG  23  -8.687  -3.255 -11.886
  653   2HD   ARG  23          2HD       ARG  23  -7.509  -4.494 -12.360
  654    HE   ARG  23           HE       ARG  23  -6.891  -3.039  -9.872
  655   1HH1  ARG  23          1HH1      ARG  23  -9.443  -4.968 -10.197
  656   2HH1  ARG  23          2HH1      ARG  23  -8.825  -6.340  -9.338
  657   1HH2  ARG  23          1HH2      ARG  23  -5.561  -5.164  -9.282
  658   2HH2  ARG  23          2HH2      ARG  23  -6.625  -6.452  -8.820
  659    H    LYS  24           H        LYS  24  -7.287   1.393 -12.241
  660    HA   LYS  24           HA       LYS  24  -6.199   1.977 -14.768
  661   1HB   LYS  24          1HB       LYS  24  -8.141   2.985 -12.922
  662   2HB   LYS  24          2HB       LYS  24  -7.222   4.354 -13.551
  663   1HG   LYS  24          1HG       LYS  24  -8.943   4.083 -15.133
  664   2HG   LYS  24          2HG       LYS  24  -7.576   3.252 -15.874
  665   1HD   LYS  24          1HD       LYS  24  -8.413   1.103 -15.202
  666   2HD   LYS  24          2HD       LYS  24  -9.641   1.838 -14.169
  667   1HE   LYS  24          1HE       LYS  24 -10.800   1.210 -16.168
  668   2HE   LYS  24          2HE       LYS  24 -10.520   2.956 -16.337
  669   1HZ   LYS  24          1HZ       LYS  24  -9.772   1.900 -18.330
  670   2HZ   LYS  24          2HZ       LYS  24  -8.862   0.761 -17.458
  671   3HZ   LYS  24          3HZ       LYS  24  -8.400   2.396 -17.463
  672    H    VAL  25           H        VAL  25  -5.066   2.962 -11.599
  673    HA   VAL  25           HA       VAL  25  -3.400   5.156 -12.581
  674    HB   VAL  25           HB       VAL  25  -3.390   3.637  -9.954
  675   1HG1  VAL  25          1HG1      VAL  25  -2.585   6.501 -10.507
  676   2HG1  VAL  25          2HG1      VAL  25  -1.429   5.168 -10.512
  677   3HG1  VAL  25          3HG1      VAL  25  -2.312   5.567  -9.035
  678   1HG2  VAL  25          1HG2      VAL  25  -4.702   6.234  -9.959
  679   2HG2  VAL  25          2HG2      VAL  25  -5.315   4.678  -9.403
  680   3HG2  VAL  25          3HG2      VAL  25  -5.471   5.131 -11.099
  681    H    ALA  26           H        ALA  26  -2.948   1.730 -11.872
  682    HA   ALA  26           HA       ALA  26  -0.037   1.819 -11.996
  683   1HB   ALA  26          1HB       ALA  26  -0.422  -0.698 -12.077
  684   2HB   ALA  26          2HB       ALA  26  -2.150  -0.349 -12.083
  685   3HB   ALA  26          3HB       ALA  26  -1.161   0.124 -10.702
  686    H    GLU  27           H        GLU  27  -2.674   1.346 -14.274
  687    HA   GLU  27           HA       GLU  27  -0.876   0.377 -16.405
  688   1HB   GLU  27          1HB       GLU  27  -3.699   0.431 -15.752
  689   2HB   GLU  27          2HB       GLU  27  -3.439   1.004 -17.399
  690   1HG   GLU  27          1HG       GLU  27  -2.490  -1.007 -18.096
  691   2HG   GLU  27          2HG       GLU  27  -2.006  -1.462 -16.462
  692    H    GLU  28           H        GLU  28  -2.035   3.427 -15.234
  693    HA   GLU  28           HA       GLU  28  -1.739   4.742 -17.875
  694   1HB   GLU  28          1HB       GLU  28  -2.623   6.673 -16.710
  695   2HB   GLU  28          2HB       GLU  28  -3.551   5.264 -16.200
  696   1HG   GLU  28          1HG       GLU  28  -2.283   5.106 -14.141
  697   2HG   GLU  28          2HG       GLU  28  -1.192   6.386 -14.662
  698    H    ASN  29           H        ASN  29  -0.017   4.480 -14.797
  699    HA   ASN  29           HA       ASN  29   1.960   6.527 -15.468
  700   1HB   ASN  29          1HB       ASN  29   1.337   4.597 -13.292
  701   2HB   ASN  29          2HB       ASN  29   3.020   5.104 -13.420
  702   1HD2  ASN  29          1HD2      ASN  29  -0.089   6.055 -12.285
  703   2HD2  ASN  29          2HD2      ASN  29   0.295   7.664 -11.907
  704    H    GLY  30           H        GLY  30   1.632   3.057 -15.888
  705   1HA   GLY  30          1HA       GLY  30   2.931   1.915 -17.618
  706   2HA   GLY  30          2HA       GLY  30   4.248   3.050 -17.317
  707    H    ARG  31           H        ARG  31   2.547   1.698 -14.603
  708    HA   ARG  31           HA       ARG  31   4.822  -0.199 -14.116
  709   1HB   ARG  31          1HB       ARG  31   3.473   1.516 -12.012
  710   2HB   ARG  31          2HB       ARG  31   4.980   0.617 -11.863
  711   1HG   ARG  31          1HG       ARG  31   5.488   2.267 -14.016
  712   2HG   ARG  31          2HG       ARG  31   4.500   3.291 -12.973
  713   1HD   ARG  31          1HD       ARG  31   6.029   2.650 -11.049
  714   2HD   ARG  31          2HD       ARG  31   7.097   1.896 -12.250
  715    HE   ARG  31           HE       ARG  31   6.256   4.736 -12.618
  716   1HH1  ARG  31          1HH1      ARG  31   8.535   4.078 -10.640
  717   2HH1  ARG  31          2HH1      ARG  31   9.914   4.334 -11.655
  718   1HH2  ARG  31          1HH2      ARG  31   8.085   4.298 -14.599
  719   2HH2  ARG  31          2HH2      ARG  31   9.660   4.457 -13.898
  720    H    SER  32           H        SER  32   3.825  -1.068 -11.608
  721    HA   SER  32           HA       SER  32   1.333  -2.494 -12.449
  722   1HB   SER  32          1HB       SER  32   3.838  -3.182 -11.033
  723   2HB   SER  32          2HB       SER  32   2.381  -3.857 -10.309
  724    HG   SER  32           HG       SER  32   1.875  -4.485 -12.579
  725    H    VAL  33           H        VAL  33   0.153  -3.227 -10.222
  726    HA   VAL  33           HA       VAL  33  -0.712  -0.759  -8.968
  727    HB   VAL  33           HB       VAL  33  -1.294  -3.701  -8.525
  728   1HG1  VAL  33          1HG1      VAL  33  -2.251  -1.224  -7.197
  729   2HG1  VAL  33          2HG1      VAL  33  -2.150  -2.870  -6.573
  730   3HG1  VAL  33          3HG1      VAL  33  -3.485  -2.408  -7.628
  731   1HG2  VAL  33          1HG2      VAL  33  -3.028  -3.436 -10.059
  732   2HG2  VAL  33          2HG2      VAL  33  -1.813  -2.354 -10.745
  733   3HG2  VAL  33          3HG2      VAL  33  -3.140  -1.694  -9.786
  734    H    ASN  34           H        ASN  34   1.687  -3.172  -8.254
  735    HA   ASN  34           HA       ASN  34   1.801  -2.725  -5.367
  736   1HB   ASN  34          1HB       ASN  34   2.607  -4.729  -6.802
  737   2HB   ASN  34          2HB       ASN  34   4.007  -3.729  -7.184
  738   1HD2  ASN  34          1HD2      ASN  34   5.122  -5.615  -5.936
  739   2HD2  ASN  34          2HD2      ASN  34   5.241  -5.452  -4.251
  740    H    SER  35           H        SER  35   3.235  -1.300  -8.243
  741    HA   SER  35           HA       SER  35   5.164   0.319  -6.722
  742   1HB   SER  35          1HB       SER  35   4.605  -0.470  -9.455
  743   2HB   SER  35          2HB       SER  35   4.816   1.277  -9.366
  744    HG   SER  35           HG       SER  35   6.831   0.395  -9.590
  745    H    GLU  36           H        GLU  36   2.029   0.749  -8.366
  746    HA   GLU  36           HA       GLU  36   1.779   3.568  -8.141
  747   1HB   GLU  36          1HB       GLU  36   0.364   1.866  -9.393
  748   2HB   GLU  36          2HB       GLU  36  -0.381   1.460  -7.845
  749   1HG   GLU  36          1HG       GLU  36  -0.278   4.344  -8.411
  750   2HG   GLU  36          2HG       GLU  36  -1.274   3.418  -9.532
  751    H    ILE  37           H        ILE  37   0.608   0.993  -5.935
  752    HA   ILE  37           HA       ILE  37  -0.352   2.743  -3.877
  753    HB   ILE  37           HB       ILE  37   0.736  -0.097  -3.807
  754   1HG1  ILE  37          1HG1      ILE  37  -1.148   0.313  -5.406
  755   2HG1  ILE  37          2HG1      ILE  37  -1.591  -0.773  -4.091
  756   1HG2  ILE  37          1HG2      ILE  37  -0.645   1.623  -1.790
  757   2HG2  ILE  37          2HG2      ILE  37   0.594   0.391  -1.552
  758   3HG2  ILE  37          3HG2      ILE  37  -1.080  -0.085  -1.854
  759   1HD1  ILE  37          1HD1      ILE  37  -2.241   2.182  -4.293
  760   2HD1  ILE  37          2HD1      ILE  37  -2.561   1.193  -2.868
  761   3HD1  ILE  37          3HD1      ILE  37  -3.383   0.841  -4.388
  762    H    TYR  38           H        TYR  38   2.840   1.527  -4.694
  763    HA   TYR  38           HA       TYR  38   4.116   2.184  -2.174
  764   1HB   TYR  38          1HB       TYR  38   4.934   0.482  -3.734
  765   2HB   TYR  38          2HB       TYR  38   5.118   1.698  -4.997
  766    HD1  TYR  38           HD1      TYR  38   7.332   2.255  -5.390
  767    HD2  TYR  38           HD2      TYR  38   6.036   1.490  -1.355
  768    HE1  TYR  38           HE1      TYR  38   9.629   2.776  -4.560
  769    HE2  TYR  38           HE2      TYR  38   8.327   2.008  -0.513
  770    HH   TYR  38           HH       TYR  38  10.401   3.617  -1.694
  771    H    GLN  39           H        GLN  39   3.322   3.935  -5.099
  772    HA   GLN  39           HA       GLN  39   5.192   6.139  -4.635
  773   1HB   GLN  39          1HB       GLN  39   3.718   5.110  -6.741
  774   2HB   GLN  39          2HB       GLN  39   2.832   6.582  -6.339
  775   1HG   GLN  39          1HG       GLN  39   4.384   7.713  -7.521
  776   2HG   GLN  39          2HG       GLN  39   5.521   7.339  -6.224
  777   1HE2  GLN  39          1HE2      GLN  39   5.909   4.582  -6.578
  778   2HE2  GLN  39          2HE2      GLN  39   6.602   4.291  -8.100
  779    H    ARG  40           H        ARG  40   1.633   5.749  -4.426
  780    HA   ARG  40           HA       ARG  40   1.064   8.327  -3.337
  781   1HB   ARG  40          1HB       ARG  40  -0.225   5.614  -3.420
  782   2HB   ARG  40          2HB       ARG  40  -0.952   6.863  -2.413
  783   1HG   ARG  40          1HG       ARG  40  -1.982   6.970  -4.607
  784   2HG   ARG  40          2HG       ARG  40  -0.945   8.386  -4.419
  785   1HD   ARG  40          1HD       ARG  40   0.715   7.516  -5.858
  786   2HD   ARG  40          2HD       ARG  40   0.102   5.858  -5.704
  787    HE   ARG  40           HE       ARG  40  -1.718   6.424  -7.176
  788   1HH1  ARG  40          1HH1      ARG  40  -1.716   9.335  -5.968
  789   2HH1  ARG  40          2HH1      ARG  40  -1.414  10.238  -7.416
  790   1HH2  ARG  40          1HH2      ARG  40  -0.429   7.470  -9.256
  791   2HH2  ARG  40          2HH2      ARG  40  -0.686   9.184  -9.274
  792    H    VAL  41           H        VAL  41   2.216   5.345  -1.911
  793    HA   VAL  41           HA       VAL  41   1.804   6.210   0.870
  794    HB   VAL  41           HB       VAL  41   3.146   3.888  -0.542
  795   1HG1  VAL  41          1HG1      VAL  41   3.626   4.737   2.107
  796   2HG1  VAL  41          2HG1      VAL  41   4.041   3.177   1.397
  797   3HG1  VAL  41          3HG1      VAL  41   2.505   3.384   2.235
  798   1HG2  VAL  41          1HG2      VAL  41   1.171   2.725  -0.166
  799   2HG2  VAL  41          2HG2      VAL  41   0.549   4.356  -0.408
  800   3HG2  VAL  41          3HG2      VAL  41   0.731   3.714   1.226
  801    H    MET  42           H        MET  42   4.279   6.384  -1.569
  802    HA   MET  42           HA       MET  42   6.557   6.727   0.194
  803   1HB   MET  42          1HB       MET  42   5.912   6.523  -2.596
  804   2HB   MET  42          2HB       MET  42   6.933   7.935  -2.365
  805   1HG   MET  42          1HG       MET  42   7.949   5.775  -0.760
  806   2HG   MET  42          2HG       MET  42   7.726   5.208  -2.414
  807   1HE   MET  42          1HE       MET  42   9.916   7.228  -4.611
  808   2HE   MET  42          2HE       MET  42   8.250   7.702  -4.302
  809   3HE   MET  42          3HE       MET  42   8.671   5.993  -4.379
  810    H    GLU  43           H        GLU  43   4.670   9.044  -1.798
  811    HA   GLU  43           HA       GLU  43   6.049  11.374  -0.821
  812   1HB   GLU  43          1HB       GLU  43   3.349  10.954  -2.134
  813   2HB   GLU  43          2HB       GLU  43   4.135  12.524  -1.950
  814   1HG   GLU  43          1HG       GLU  43   5.953  11.893  -3.360
  815   2HG   GLU  43          2HG       GLU  43   5.493  10.191  -3.313
  816    H    SER  44           H        SER  44   3.331   9.538   0.445
  817    HA   SER  44           HA       SER  44   2.049  11.512   2.024
  818   1HB   SER  44          1HB       SER  44   1.406   9.516   3.412
  819   2HB   SER  44          2HB       SER  44   1.181   9.265   1.682
  820    HG   SER  44           HG       SER  44   2.260   7.511   2.682
  821    H    PHE  45           H        PHE  45   4.702   9.294   3.005
  822    HA   PHE  45           HA       PHE  45   5.114  10.420   5.596
  823   1HB   PHE  45          1HB       PHE  45   6.886   8.950   3.627
  824   2HB   PHE  45          2HB       PHE  45   7.351   9.263   5.299
  825    HD1  PHE  45           HD1      PHE  45   6.169   6.750   3.296
  826    HD2  PHE  45           HD2      PHE  45   5.122   8.787   6.954
  827    HE1  PHE  45           HE1      PHE  45   4.897   4.745   4.048
  828    HE2  PHE  45           HE2      PHE  45   3.852   6.780   7.709
  829    HZ   PHE  45           HZ       PHE  45   3.745   4.757   6.257
  830    H    LYS  46           H        LYS  46   6.590  11.149   2.435
  831    HA   LYS  46           HA       LYS  46   8.607  12.949   3.264
  832   1HB   LYS  46          1HB       LYS  46   8.272  11.987   1.000
  833   2HB   LYS  46          2HB       LYS  46   6.846  13.004   0.792
  834   1HG   LYS  46          1HG       LYS  46   8.088  14.942   0.576
  835   2HG   LYS  46          2HG       LYS  46   9.407  14.333   1.574
  836   1HD   LYS  46          1HD       LYS  46  10.067  14.492  -0.811
  837   2HD   LYS  46          2HD       LYS  46  10.106  12.826  -0.235
  838   1HE   LYS  46          1HE       LYS  46   7.951  12.357  -1.274
  839   2HE   LYS  46          2HE       LYS  46   7.774  14.058  -1.746
  840   1HZ   LYS  46          1HZ       LYS  46   8.714  12.657  -3.536
  841   2HZ   LYS  46          2HZ       LYS  46  10.051  12.322  -2.543
  842   3HZ   LYS  46          3HZ       LYS  46   9.753  13.911  -3.067
  843    H    LYS  47           H        LYS  47   5.144  13.375   3.188
  844    HA   LYS  47           HA       LYS  47   5.148  16.278   3.107
  845   1HB   LYS  47          1HB       LYS  47   3.308  14.531   2.553
  846   2HB   LYS  47          2HB       LYS  47   3.013  14.506   4.293
  847   1HG   LYS  47          1HG       LYS  47   2.570  16.892   4.310
  848   2HG   LYS  47          2HG       LYS  47   3.019  17.024   2.608
  849   1HD   LYS  47          1HD       LYS  47   1.065  16.041   1.871
  850   2HD   LYS  47          2HD       LYS  47   0.878  15.071   3.333
  851   1HE   LYS  47          1HE       LYS  47  -0.711  16.618   3.899
  852   2HE   LYS  47          2HE       LYS  47   0.673  17.649   4.313
  853   1HZ   LYS  47          1HZ       LYS  47  -0.595  17.446   1.633
  854   2HZ   LYS  47          2HZ       LYS  47   0.751  18.408   2.016
  855   3HZ   LYS  47          3HZ       LYS  47  -0.764  18.750   2.704
  856    H    GLU  48           H        GLU  48   4.289  14.041   5.784
  857    HA   GLU  48           HA       GLU  48   4.293  15.964   7.859
  858   1HB   GLU  48          1HB       GLU  48   4.919  13.001   7.758
  859   2HB   GLU  48          2HB       GLU  48   4.745  13.886   9.275
  860   1HG   GLU  48          1HG       GLU  48   2.498  14.697   7.970
  861   2HG   GLU  48          2HG       GLU  48   2.677  13.067   7.321
  862    H    GLY  49           H        GLY  49   6.982  14.265   6.326
  863   1HA   GLY  49          1HA       GLY  49   9.217  15.245   6.345
  864   2HA   GLY  49          2HA       GLY  49   8.846  15.965   7.913
  865    H    ARG  50           H        ARG  50   8.106  12.612   7.099
  866    HA   ARG  50           HA       ARG  50   9.698  11.712   9.408
  867   1HB   ARG  50          1HB       ARG  50   7.957  10.310   7.353
  868   2HB   ARG  50          2HB       ARG  50   8.636   9.532   8.783
  869   1HG   ARG  50          1HG       ARG  50   7.059  12.060   9.123
  870   2HG   ARG  50          2HG       ARG  50   6.194  10.545   8.854
  871   1HD   ARG  50          1HD       ARG  50   6.384  10.354  11.141
  872   2HD   ARG  50          2HD       ARG  50   8.013   9.768  10.750
  873    HE   ARG  50           HE       ARG  50   7.993  12.645  10.803
  874   1HH1  ARG  50          1HH1      ARG  50   6.598  11.165  13.292
  875   2HH1  ARG  50          2HH1      ARG  50   7.880  11.355  14.442
  876   1HH2  ARG  50          1HH2      ARG  50  10.219  12.329  12.074
  877   2HH2  ARG  50          2HH2      ARG  50   9.930  12.012  13.752
  878    H    ILE  51           H        ILE  51   9.672  11.182   5.867
  879    HA   ILE  51           HA       ILE  51  12.390   9.945   6.101
  880    HB   ILE  51           HB       ILE  51  11.812   9.062   3.823
  881   1HG1  ILE  51          1HG1      ILE  51   9.005  10.029   4.316
  882   2HG1  ILE  51          2HG1      ILE  51  10.163  11.072   3.490
  883   1HG2  ILE  51          1HG2      ILE  51  11.294   7.800   5.917
  884   2HG2  ILE  51          2HG2      ILE  51  10.165   7.446   4.609
  885   3HG2  ILE  51          3HG2      ILE  51   9.687   8.526   5.920
  886   1HD1  ILE  51          1HD1      ILE  51   8.640   8.986   2.351
  887   2HD1  ILE  51          2HD1      ILE  51  10.301   8.392   2.413
  888   3HD1  ILE  51          3HD1      ILE  51   9.933   9.904   1.579
  889    H    GLY  52           H        GLY  52  13.864  10.493   4.208
  890   1HA   GLY  52          1HA       GLY  52  13.536  13.375   3.474
  891   2HA   GLY  52          2HA       GLY  52  15.101  12.603   3.730
  892    H    ALA  53           H        ALA  53  14.922  10.292   2.291
  893    HA   ALA  53           HA       ALA  53  13.802  10.739  -0.373
  894   1HB   ALA  53          1HB       ALA  53  16.548  11.535   0.382
  895   2HB   ALA  53          2HB       ALA  53  15.545  12.097  -0.957
  896   3HB   ALA  53          3HB       ALA  53  16.439  10.584  -1.100
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -0.727 -16.441  18.086
    2   2H    MET   1          2H        MET   1  -0.796 -15.102  19.129
    3   3H    MET   1          3H        MET   1   0.280 -15.103  17.815
    4    HA   MET   1           HA       MET   1  -1.433 -14.852  16.244
    5   1HB   MET   1          1HB       MET   1  -2.790 -16.642  17.247
    6   2HB   MET   1          2HB       MET   1  -3.212 -15.585  18.595
    7   1HG   MET   1          1HG       MET   1  -5.068 -15.328  17.205
    8   2HG   MET   1          2HG       MET   1  -4.062 -13.973  16.697
    9   1HE   MET   1          1HE       MET   1  -5.771 -14.010  15.064
   10   2HE   MET   1          2HE       MET   1  -6.390 -15.525  14.411
   11   3HE   MET   1          3HE       MET   1  -5.353 -14.503  13.418
   12    H    LYS   2           H        LYS   2  -0.692 -12.670  16.289
   13    HA   LYS   2           HA       LYS   2  -2.516 -10.722  17.418
   14   1HB   LYS   2          1HB       LYS   2  -0.949 -11.719  19.309
   15   2HB   LYS   2          2HB       LYS   2   0.233 -10.605  18.622
   16   1HG   LYS   2          1HG       LYS   2  -0.916  -8.741  19.309
   17   2HG   LYS   2          2HG       LYS   2  -2.490  -9.514  19.119
   18   1HD   LYS   2          1HD       LYS   2  -2.407  -9.513  21.416
   19   2HD   LYS   2          2HD       LYS   2  -1.532 -11.019  21.132
   20   1HE   LYS   2          1HE       LYS   2   0.340  -8.854  20.921
   21   2HE   LYS   2          2HE       LYS   2  -0.562  -8.678  22.440
   22   1HZ   LYS   2          1HZ       LYS   2   1.126 -10.203  22.937
   23   2HZ   LYS   2          2HZ       LYS   2   0.948 -11.032  21.465
   24   3HZ   LYS   2          3HZ       LYS   2  -0.239 -11.172  22.672
   25    H    GLY   3           H        GLY   3  -2.362  -8.942  16.099
   26   1HA   GLY   3          1HA       GLY   3  -1.310  -7.258  14.794
   27   2HA   GLY   3          2HA       GLY   3   0.238  -8.064  15.055
   28    H    MET   4           H        MET   4  -2.722  -9.560  13.805
   29    HA   MET   4           HA       MET   4  -3.096 -10.702  11.770
   30   1HB   MET   4          1HB       MET   4  -2.217  -8.080  11.317
   31   2HB   MET   4          2HB       MET   4  -1.263  -9.062  10.206
   32   1HG   MET   4          1HG       MET   4  -3.109  -8.862   8.874
   33   2HG   MET   4          2HG       MET   4  -3.705 -10.195   9.863
   34   1HE   MET   4          1HE       MET   4  -6.503  -8.987  11.830
   35   2HE   MET   4          2HE       MET   4  -5.089 -10.037  11.864
   36   3HE   MET   4          3HE       MET   4  -6.147 -10.042  10.455
   37    H    SER   5           H        SER   5  -1.280 -11.055   9.587
   38    HA   SER   5           HA       SER   5   0.513 -13.084  10.769
   39   1HB   SER   5          1HB       SER   5  -0.595 -12.351   8.088
   40   2HB   SER   5          2HB       SER   5   0.880 -13.310   8.135
   41    HG   SER   5           HG       SER   5  -1.683 -13.901   9.156
   42    H    LYS   6           H        LYS   6   2.683 -13.170   9.207
   43    HA   LYS   6           HA       LYS   6   4.317 -10.963  10.086
   44   1HB   LYS   6          1HB       LYS   6   6.024 -12.150   8.709
   45   2HB   LYS   6          2HB       LYS   6   5.126 -13.257   9.749
   46   1HG   LYS   6          1HG       LYS   6   3.848 -14.099   7.957
   47   2HG   LYS   6          2HG       LYS   6   4.226 -12.721   6.923
   48   1HD   LYS   6          1HD       LYS   6   5.648 -14.346   6.047
   49   2HD   LYS   6          2HD       LYS   6   6.706 -13.556   7.217
   50   1HE   LYS   6          1HE       LYS   6   6.990 -15.560   8.234
   51   2HE   LYS   6          2HE       LYS   6   5.261 -15.558   8.638
   52   1HZ   LYS   6          1HZ       LYS   6   5.881 -17.467   7.241
   53   2HZ   LYS   6          2HZ       LYS   6   6.395 -16.401   6.022
   54   3HZ   LYS   6          3HZ       LYS   6   4.757 -16.454   6.474
   55    H    MET   7           H        MET   7   5.915 -10.379   7.869
   56    HA   MET   7           HA       MET   7   4.604  -8.200   6.638
   57   1HB   MET   7          1HB       MET   7   7.029  -9.887   6.085
   58   2HB   MET   7          2HB       MET   7   6.564  -8.644   4.922
   59   1HG   MET   7          1HG       MET   7   6.579  -6.956   6.735
   60   2HG   MET   7          2HG       MET   7   7.089  -8.201   7.875
   61   1HE   MET   7          1HE       MET   7   8.506  -5.358   5.655
   62   2HE   MET   7          2HE       MET   7   9.887  -5.500   6.739
   63   3HE   MET   7          3HE       MET   7   8.254  -5.550   7.396
   64    HA   PRO   8           HA       PRO   8   2.162 -10.306   3.595
   65   1HB   PRO   8          1HB       PRO   8   1.502  -8.154   2.046
   66   2HB   PRO   8          2HB       PRO   8   0.772  -8.456   3.636
   67   1HG   PRO   8          1HG       PRO   8   2.888  -6.530   2.860
   68   2HG   PRO   8          2HG       PRO   8   1.611  -6.381   4.076
   69   1HD   PRO   8          1HD       PRO   8   4.258  -6.958   4.621
   70   2HD   PRO   8          2HD       PRO   8   2.894  -7.308   5.704
   71    H    GLN   9           H        GLN   9   2.278 -10.861   1.291
   72    HA   GLN   9           HA       GLN   9   5.002 -10.748   0.217
   73   1HB   GLN   9          1HB       GLN   9   2.621 -12.326   0.003
   74   2HB   GLN   9          2HB       GLN   9   3.077 -11.803  -1.619
   75   1HG   GLN   9          1HG       GLN   9   4.172 -13.944  -0.998
   76   2HG   GLN   9          2HG       GLN   9   5.348 -12.663  -1.290
   77   1HE2  GLN   9          1HE2      GLN   9   3.354 -13.004   1.664
   78   2HE2  GLN   9          2HE2      GLN   9   4.666 -13.277   2.708
   79    H    PHE  10           H        PHE  10   2.502  -8.538   0.153
   80    HA   PHE  10           HA       PHE  10   2.768  -7.732  -2.675
   81   1HB   PHE  10          1HB       PHE  10   0.597  -7.629  -1.605
   82   2HB   PHE  10          2HB       PHE  10   1.251  -6.705  -0.255
   83    HD1  PHE  10           HD1      PHE  10   1.524  -4.328  -0.375
   84    HD2  PHE  10           HD2      PHE  10   0.501  -6.584  -3.911
   85    HE1  PHE  10           HE1      PHE  10   1.058  -2.206  -1.594
   86    HE2  PHE  10           HE2      PHE  10   0.033  -4.462  -5.129
   87    HZ   PHE  10           HZ       PHE  10   0.311  -2.272  -3.970
   88    H    LEU  11           H        LEU  11   4.092  -6.906   0.454
   89    HA   LEU  11           HA       LEU  11   5.251  -4.370  -0.600
   90   1HB   LEU  11          1HB       LEU  11   5.161  -5.651   2.152
   91   2HB   LEU  11          2HB       LEU  11   5.821  -4.050   1.808
   92    HG   LEU  11           HG       LEU  11   2.992  -4.815   1.067
   93   1HD1  LEU  11          1HD1      LEU  11   3.524  -3.108   3.448
   94   2HD1  LEU  11          2HD1      LEU  11   3.791  -4.841   3.642
   95   3HD1  LEU  11          3HD1      LEU  11   2.206  -4.243   3.149
   96   1HD2  LEU  11          1HD2      LEU  11   4.426  -2.175   1.485
   97   2HD2  LEU  11          2HD2      LEU  11   2.717  -2.342   1.090
   98   3HD2  LEU  11          3HD2      LEU  11   3.943  -2.857  -0.068
   99    H    ASN  12           H        ASN  12   6.174  -7.142  -1.403
  100    HA   ASN  12           HA       ASN  12   8.739  -7.601  -0.105
  101   1HB   ASN  12          1HB       ASN  12   6.970  -8.956  -1.771
  102   2HB   ASN  12          2HB       ASN  12   8.362  -8.659  -2.813
  103   1HD2  ASN  12          1HD2      ASN  12   7.187 -10.576  -0.171
  104   2HD2  ASN  12          2HD2      ASN  12   8.635 -11.404   0.148
  105    H    ARG  13           H        ARG  13   7.613  -5.588  -2.726
  106    HA   ARG  13           HA       ARG  13  10.325  -5.201  -3.839
  107   1HB   ARG  13          1HB       ARG  13   8.074  -5.351  -5.098
  108   2HB   ARG  13          2HB       ARG  13   7.786  -3.711  -4.517
  109   1HG   ARG  13          1HG       ARG  13   9.251  -2.817  -5.991
  110   2HG   ARG  13          2HG       ARG  13  10.459  -4.061  -5.666
  111   1HD   ARG  13          1HD       ARG  13   8.013  -4.836  -7.226
  112   2HD   ARG  13          2HD       ARG  13   9.305  -3.938  -8.050
  113    HE   ARG  13           HE       ARG  13   9.946  -6.388  -6.460
  114   1HH1  ARG  13          1HH1      ARG  13   9.015  -6.793  -9.324
  115   2HH1  ARG  13          2HH1      ARG  13  10.527  -6.840 -10.169
  116   1HH2  ARG  13          1HH2      ARG  13  12.335  -5.457  -7.555
  117   2HH2  ARG  13          2HH2      ARG  13  12.405  -6.085  -9.169
  118    H    TRP  14           H        TRP  14   8.440  -3.861  -1.334
  119    HA   TRP  14           HA       TRP  14   9.307  -1.097  -1.526
  120   1HB   TRP  14          1HB       TRP  14   8.051  -2.874   0.564
  121   2HB   TRP  14          2HB       TRP  14   8.413  -1.181   0.869
  122    HD1  TRP  14           HD1      TRP  14   7.162  -2.433  -2.545
  123    HE1  TRP  14           HE1      TRP  14   4.849  -1.386  -2.992
  124    HE3  TRP  14           HE3      TRP  14   6.388  -0.174   1.938
  125    HZ2  TRP  14           HZ2      TRP  14   2.895   0.225  -1.601
  126    HZ3  TRP  14           HZ3      TRP  14   4.290   1.114   2.384
  127    HH2  TRP  14           HH2      TRP  14   2.550   1.314   0.614
  128    HA   PRO  15           HA       PRO  15  13.333  -1.767   0.209
  129   1HB   PRO  15          1HB       PRO  15  13.875   0.786   1.030
  130   2HB   PRO  15          2HB       PRO  15  13.943   0.278  -0.668
  131   1HG   PRO  15          1HG       PRO  15  11.810   1.761   0.783
  132   2HG   PRO  15          2HG       PRO  15  12.404   1.973  -0.871
  133   1HD   PRO  15          1HD       PRO  15  10.083   0.677  -0.256
  134   2HD   PRO  15          2HD       PRO  15  11.047   0.332  -1.708
  135    H    ARG  16           H        ARG  16  14.505  -1.156   2.381
  136    HA   ARG  16           HA       ARG  16  12.745  -1.925   4.564
  137   1HB   ARG  16          1HB       ARG  16  14.760  -2.948   4.851
  138   2HB   ARG  16          2HB       ARG  16  15.590  -1.786   3.835
  139   1HG   ARG  16          1HG       ARG  16  16.084  -0.379   5.589
  140   2HG   ARG  16          2HG       ARG  16  14.718  -0.920   6.562
  141   1HD   ARG  16          1HD       ARG  16  16.383  -2.054   7.693
  142   2HD   ARG  16          2HD       ARG  16  16.114  -3.244   6.404
  143    HE   ARG  16           HE       ARG  16  18.146  -1.064   6.104
  144   1HH1  ARG  16          1HH1      ARG  16  17.247  -3.303   4.077
  145   2HH1  ARG  16          2HH1      ARG  16  18.637  -4.332   4.162
  146   1HH2  ARG  16          1HH2      ARG  16  19.896  -2.839   7.027
  147   2HH2  ARG  16          2HH2      ARG  16  20.136  -4.071   5.833
  148    H    GLU  17           H        GLU  17  14.127   1.020   3.290
  149    HA   GLU  17           HA       GLU  17  13.968   2.611   5.691
  150   1HB   GLU  17          1HB       GLU  17  13.955   3.260   2.727
  151   2HB   GLU  17          2HB       GLU  17  14.129   4.472   3.996
  152   1HG   GLU  17          1HG       GLU  17  16.144   3.307   4.830
  153   2HG   GLU  17          2HG       GLU  17  15.978   2.112   3.542
  154    H    VAL  18           H        VAL  18  11.669   1.664   3.218
  155    HA   VAL  18           HA       VAL  18   9.651   3.613   4.172
  156    HB   VAL  18           HB       VAL  18   9.652   1.486   2.006
  157   1HG1  VAL  18          1HG1      VAL  18   7.522   2.107   1.447
  158   2HG1  VAL  18          2HG1      VAL  18   7.778   3.785   1.925
  159   3HG1  VAL  18          3HG1      VAL  18   7.437   2.562   3.149
  160   1HG2  VAL  18          1HG2      VAL  18  10.257   3.173   0.496
  161   2HG2  VAL  18          2HG2      VAL  18  11.216   3.592   1.915
  162   3HG2  VAL  18          3HG2      VAL  18   9.721   4.462   1.573
  163    H    LEU  19           H        LEU  19  10.112   0.079   3.952
  164    HA   LEU  19           HA       LEU  19   7.637  -0.679   5.156
  165   1HB   LEU  19          1HB       LEU  19  10.367  -1.915   4.825
  166   2HB   LEU  19          2HB       LEU  19   9.074  -2.783   5.654
  167    HG   LEU  19           HG       LEU  19   8.729  -1.580   2.901
  168   1HD1  LEU  19          1HD1      LEU  19   9.933  -4.170   3.784
  169   2HD1  LEU  19          2HD1      LEU  19  10.316  -3.176   2.378
  170   3HD1  LEU  19          3HD1      LEU  19   8.877  -4.195   2.373
  171   1HD2  LEU  19          1HD2      LEU  19   6.672  -2.619   2.899
  172   2HD2  LEU  19          2HD2      LEU  19   6.836  -2.380   4.639
  173   3HD2  LEU  19          3HD2      LEU  19   7.224  -3.945   3.923
  174    H    ASP  20           H        ASP  20  10.739   0.264   6.530
  175    HA   ASP  20           HA       ASP  20  10.252  -0.639   9.219
  176   1HB   ASP  20          1HB       ASP  20  12.466  -0.076   8.326
  177   2HB   ASP  20          2HB       ASP  20  11.959   1.595   8.072
  178    H    LEU  21           H        LEU  21   9.392   2.277   7.441
  179    HA   LEU  21           HA       LEU  21   8.505   3.762   9.801
  180   1HB   LEU  21          1HB       LEU  21   9.420   4.763   7.717
  181   2HB   LEU  21          2HB       LEU  21   8.033   4.140   6.825
  182    HG   LEU  21           HG       LEU  21   6.517   5.475   8.240
  183   1HD1  LEU  21          1HD1      LEU  21   9.116   6.199   9.581
  184   2HD1  LEU  21          2HD1      LEU  21   7.609   5.665  10.323
  185   3HD1  LEU  21          3HD1      LEU  21   7.732   7.288   9.645
  186   1HD2  LEU  21          1HD2      LEU  21   7.146   7.669   7.360
  187   2HD2  LEU  21          2HD2      LEU  21   7.480   6.425   6.155
  188   3HD2  LEU  21          3HD2      LEU  21   8.798   7.114   7.100
  189    H    VAL  22           H        VAL  22   6.942   1.908   7.183
  190    HA   VAL  22           HA       VAL  22   4.232   2.463   7.721
  191    HB   VAL  22           HB       VAL  22   5.505  -0.180   6.940
  192   1HG1  VAL  22          1HG1      VAL  22   3.002  -0.049   7.509
  193   2HG1  VAL  22          2HG1      VAL  22   3.422  -0.708   5.929
  194   3HG1  VAL  22          3HG1      VAL  22   2.845   0.954   6.066
  195   1HG2  VAL  22          1HG2      VAL  22   4.608   1.205   4.661
  196   2HG2  VAL  22          2HG2      VAL  22   6.284   0.918   5.127
  197   3HG2  VAL  22          3HG2      VAL  22   5.472   2.406   5.619
  198    H    ARG  23           H        ARG  23   6.250  -0.169   9.069
  199    HA   ARG  23           HA       ARG  23   4.314  -1.310  10.799
  200   1HB   ARG  23          1HB       ARG  23   7.320  -1.016  11.124
  201   2HB   ARG  23          2HB       ARG  23   6.316  -2.216  11.937
  202   1HG   ARG  23          1HG       ARG  23   5.846  -2.240   9.072
  203   2HG   ARG  23          2HG       ARG  23   7.554  -2.494   9.435
  204   1HD   ARG  23          1HD       ARG  23   5.700  -3.995  11.187
  205   2HD   ARG  23          2HD       ARG  23   5.697  -4.499   9.485
  206    HE   ARG  23           HE       ARG  23   8.393  -4.165  10.121
  207   1HH1  ARG  23          1HH1      ARG  23   6.102  -6.560  10.044
  208   2HH1  ARG  23          2HH1      ARG  23   6.900  -7.630  11.149
  209   1HH2  ARG  23          1HH2      ARG  23   9.275  -5.298  12.110
  210   2HH2  ARG  23          2HH2      ARG  23   8.692  -6.915  12.320
  211    H    LYS  24           H        LYS  24   6.783   1.186  11.517
  212    HA   LYS  24           HA       LYS  24   6.039   1.617  14.241
  213   1HB   LYS  24          1HB       LYS  24   8.026   2.393  12.580
  214   2HB   LYS  24          2HB       LYS  24   7.062   3.870  12.586
  215   1HG   LYS  24          1HG       LYS  24   7.108   3.097  15.261
  216   2HG   LYS  24          2HG       LYS  24   8.742   2.752  14.694
  217   1HD   LYS  24          1HD       LYS  24   8.384   5.170  13.549
  218   2HD   LYS  24          2HD       LYS  24   7.344   5.362  14.960
  219   1HE   LYS  24          1HE       LYS  24  10.040   4.158  15.423
  220   2HE   LYS  24          2HE       LYS  24   9.965   5.901  15.097
  221   1HZ   LYS  24          1HZ       LYS  24   8.255   6.118  16.781
  222   2HZ   LYS  24          2HZ       LYS  24   9.654   5.432  17.460
  223   3HZ   LYS  24          3HZ       LYS  24   8.312   4.453  17.099
  224    H    VAL  25           H        VAL  25   4.500   2.590  11.284
  225    HA   VAL  25           HA       VAL  25   3.041   4.828  12.537
  226    HB   VAL  25           HB       VAL  25   2.950   3.497   9.810
  227   1HG1  VAL  25          1HG1      VAL  25   1.871   6.233  10.459
  228   2HG1  VAL  25          2HG1      VAL  25   0.858   4.804  10.661
  229   3HG1  VAL  25          3HG1      VAL  25   1.512   5.203   9.073
  230   1HG2  VAL  25          1HG2      VAL  25   3.968   6.260  10.243
  231   2HG2  VAL  25          2HG2      VAL  25   4.541   5.011   9.138
  232   3HG2  VAL  25          3HG2      VAL  25   4.981   4.946  10.844
  233    H    ALA  26           H        ALA  26   2.506   1.454  11.679
  234    HA   ALA  26           HA       ALA  26  -0.397   1.579  12.075
  235   1HB   ALA  26          1HB       ALA  26  -0.207  -0.827  11.677
  236   2HB   ALA  26          2HB       ALA  26   1.535  -0.758  11.938
  237   3HB   ALA  26          3HB       ALA  26   0.822   0.027  10.528
  238    H    GLU  27           H        GLU  27   2.455   0.902  14.000
  239    HA   GLU  27           HA       GLU  27   0.894  -0.257  16.218
  240   1HB   GLU  27          1HB       GLU  27   3.376  -0.680  15.247
  241   2HB   GLU  27          2HB       GLU  27   3.756   0.527  16.477
  242   1HG   GLU  27          1HG       GLU  27   2.402  -0.882  18.106
  243   2HG   GLU  27          2HG       GLU  27   2.378  -2.139  16.870
  244    H    GLU  28           H        GLU  28   1.976   2.877  15.195
  245    HA   GLU  28           HA       GLU  28   1.959   3.965  17.954
  246   1HB   GLU  28          1HB       GLU  28   2.722   5.997  16.856
  247   2HB   GLU  28          2HB       GLU  28   3.608   4.632  16.178
  248   1HG   GLU  28          1HG       GLU  28   2.149   4.590  14.230
  249   2HG   GLU  28          2HG       GLU  28   1.130   5.849  14.926
  250    H    ASN  29           H        ASN  29  -0.119   3.828  15.122
  251    HA   ASN  29           HA       ASN  29  -1.996   5.828  16.234
  252   1HB   ASN  29          1HB       ASN  29  -1.472   4.402  13.691
  253   2HB   ASN  29          2HB       ASN  29  -3.170   4.753  14.014
  254   1HD2  ASN  29          1HD2      ASN  29  -0.258   6.111  12.836
  255   2HD2  ASN  29          2HD2      ASN  29  -0.737   7.739  12.853
  256    H    GLY  30           H        GLY  30  -1.547   2.384  16.222
  257   1HA   GLY  30          1HA       GLY  30  -2.786   0.896  17.657
  258   2HA   GLY  30          2HA       GLY  30  -4.097   2.077  17.703
  259    H    ARG  31           H        ARG  31  -2.649   1.307  14.638
  260    HA   ARG  31           HA       ARG  31  -5.097  -0.281  13.924
  261   1HB   ARG  31          1HB       ARG  31  -3.420   1.626  12.258
  262   2HB   ARG  31          2HB       ARG  31  -4.871   0.790  11.707
  263   1HG   ARG  31          1HG       ARG  31  -5.815   1.968  13.968
  264   2HG   ARG  31          2HG       ARG  31  -4.606   3.153  13.470
  265   1HD   ARG  31          1HD       ARG  31  -5.634   3.086  11.147
  266   2HD   ARG  31          2HD       ARG  31  -6.958   2.133  11.845
  267    HE   ARG  31           HE       ARG  31  -6.214   4.795  12.991
  268   1HH1  ARG  31          1HH1      ARG  31  -8.163   4.763  10.670
  269   2HH1  ARG  31          2HH1      ARG  31  -9.684   4.731  11.498
  270   1HH2  ARG  31          1HH2      ARG  31  -8.310   3.784  14.536
  271   2HH2  ARG  31          2HH2      ARG  31  -9.767   4.176  13.687
  272    H    SER  32           H        SER  32  -4.287  -1.097  11.412
  273    HA   SER  32           HA       SER  32  -1.986  -2.902  12.030
  274   1HB   SER  32          1HB       SER  32  -4.305  -3.054  10.075
  275   2HB   SER  32          2HB       SER  32  -3.040  -4.272  10.203
  276    HG   SER  32           HG       SER  32  -3.748  -4.806  12.195
  277    H    VAL  33           H        VAL  33  -0.639  -3.409   9.986
  278    HA   VAL  33           HA       VAL  33   0.268  -0.925   8.810
  279    HB   VAL  33           HB       VAL  33   0.876  -3.858   8.340
  280   1HG1  VAL  33          1HG1      VAL  33   3.076  -2.259   7.649
  281   2HG1  VAL  33          2HG1      VAL  33   1.684  -1.481   6.898
  282   3HG1  VAL  33          3HG1      VAL  33   2.046  -3.170   6.547
  283   1HG2  VAL  33          1HG2      VAL  33   2.403  -1.715   9.850
  284   2HG2  VAL  33          2HG2      VAL  33   2.759  -3.443   9.808
  285   3HG2  VAL  33          3HG2      VAL  33   1.304  -2.862  10.618
  286    H    ASN  34           H        ASN  34  -2.004  -3.409   7.871
  287    HA   ASN  34           HA       ASN  34  -2.014  -2.786   5.012
  288   1HB   ASN  34          1HB       ASN  34  -3.757  -4.298   6.972
  289   2HB   ASN  34          2HB       ASN  34  -4.258  -4.085   5.294
  290   1HD2  ASN  34          1HD2      ASN  34  -3.605  -5.767   3.961
  291   2HD2  ASN  34          2HD2      ASN  34  -2.227  -6.728   4.202
  292    H    SER  35           H        SER  35  -3.635  -1.624   7.905
  293    HA   SER  35           HA       SER  35  -5.616  -0.045   6.401
  294   1HB   SER  35          1HB       SER  35  -4.855  -0.459   9.297
  295   2HB   SER  35          2HB       SER  35  -6.035   0.763   8.830
  296    HG   SER  35           HG       SER  35  -7.293  -0.954   9.050
  297    H    GLU  36           H        GLU  36  -2.471   0.394   7.922
  298    HA   GLU  36           HA       GLU  36  -2.510   3.276   8.024
  299   1HB   GLU  36          1HB       GLU  36  -0.974   1.200   8.955
  300   2HB   GLU  36          2HB       GLU  36   0.045   1.834   7.660
  301   1HG   GLU  36          1HG       GLU  36   0.598   3.004   9.695
  302   2HG   GLU  36          2HG       GLU  36  -0.260   4.120   8.633
  303    H    ILE  37           H        ILE  37  -1.433   0.857   5.661
  304    HA   ILE  37           HA       ILE  37  -0.384   2.851   3.787
  305    HB   ILE  37           HB       ILE  37  -0.956  -0.128   3.718
  306   1HG1  ILE  37          1HG1      ILE  37   0.917   0.811   5.163
  307   2HG1  ILE  37          2HG1      ILE  37   1.418  -0.377   3.961
  308   1HG2  ILE  37          1HG2      ILE  37   0.806   0.354   1.654
  309   2HG2  ILE  37          2HG2      ILE  37  -0.305   1.720   1.524
  310   3HG2  ILE  37          3HG2      ILE  37  -0.925   0.069   1.459
  311   1HD1  ILE  37          1HD1      ILE  37   2.353   1.273   2.548
  312   2HD1  ILE  37          2HD1      ILE  37   2.827   1.786   4.168
  313   3HD1  ILE  37          3HD1      ILE  37   1.482   2.580   3.351
  314    H    TYR  38           H        TYR  38  -3.427   1.228   4.398
  315    HA   TYR  38           HA       TYR  38  -4.627   1.686   1.805
  316   1HB   TYR  38          1HB       TYR  38  -5.379  -0.055   3.321
  317   2HB   TYR  38          2HB       TYR  38  -5.682   1.125   4.594
  318    HD1  TYR  38           HD1      TYR  38  -7.972   1.322   4.968
  319    HD2  TYR  38           HD2      TYR  38  -6.498   1.054   0.928
  320    HE1  TYR  38           HE1      TYR  38 -10.280   1.670   4.106
  321    HE2  TYR  38           HE2      TYR  38  -8.812   1.402   0.056
  322    HH   TYR  38           HH       TYR  38 -11.140   2.698   1.509
  323    H    GLN  39           H        GLN  39  -4.595   3.462   4.895
  324    HA   GLN  39           HA       GLN  39  -6.498   5.484   4.062
  325   1HB   GLN  39          1HB       GLN  39  -4.989   4.689   6.366
  326   2HB   GLN  39          2HB       GLN  39  -4.705   6.408   6.092
  327   1HG   GLN  39          1HG       GLN  39  -6.709   6.826   7.026
  328   2HG   GLN  39          2HG       GLN  39  -7.464   6.011   5.657
  329   1HE2  GLN  39          1HE2      GLN  39  -8.580   4.094   6.117
  330   2HE2  GLN  39          2HE2      GLN  39  -8.458   3.235   7.576
  331    H    ARG  40           H        ARG  40  -2.930   5.324   4.188
  332    HA   ARG  40           HA       ARG  40  -2.450   8.008   3.282
  333   1HB   ARG  40          1HB       ARG  40  -0.881   5.414   3.120
  334   2HB   ARG  40          2HB       ARG  40  -0.198   6.992   2.728
  335   1HG   ARG  40          1HG       ARG  40  -0.955   7.749   5.045
  336   2HG   ARG  40          2HG       ARG  40  -1.262   6.049   5.398
  337   1HD   ARG  40          1HD       ARG  40   1.170   5.629   4.625
  338   2HD   ARG  40          2HD       ARG  40   1.383   7.383   4.790
  339    HE   ARG  40           HE       ARG  40   1.180   5.537   6.988
  340   1HH1  ARG  40          1HH1      ARG  40   2.348   8.274   7.224
  341   2HH1  ARG  40          2HH1      ARG  40   1.180   9.091   8.208
  342   1HH2  ARG  40          1HH2      ARG  40  -1.304   6.732   7.682
  343   2HH2  ARG  40          2HH2      ARG  40  -0.887   8.218   8.469
  344    H    VAL  41           H        VAL  41  -3.275   5.025   1.654
  345    HA   VAL  41           HA       VAL  41  -2.607   5.990  -1.042
  346    HB   VAL  41           HB       VAL  41  -3.990   3.586   0.183
  347   1HG1  VAL  41          1HG1      VAL  41  -4.989   4.050  -2.050
  348   2HG1  VAL  41          2HG1      VAL  41  -4.033   2.567  -2.041
  349   3HG1  VAL  41          3HG1      VAL  41  -3.371   4.039  -2.755
  350   1HG2  VAL  41          1HG2      VAL  41  -1.540   3.445  -1.509
  351   2HG2  VAL  41          2HG2      VAL  41  -1.969   2.519  -0.071
  352   3HG2  VAL  41          3HG2      VAL  41  -1.373   4.170   0.091
  353    H    MET  42           H        MET  42  -5.361   5.886   1.109
  354    HA   MET  42           HA       MET  42  -7.423   6.364  -0.867
  355   1HB   MET  42          1HB       MET  42  -7.115   5.866   1.925
  356   2HB   MET  42          2HB       MET  42  -8.082   7.328   1.756
  357   1HG   MET  42          1HG       MET  42  -8.670   4.875   0.108
  358   2HG   MET  42          2HG       MET  42  -9.324   5.057   1.735
  359   1HE   MET  42          1HE       MET  42 -11.080   5.938   2.354
  360   2HE   MET  42          2HE       MET  42 -12.240   6.990   1.539
  361   3HE   MET  42          3HE       MET  42 -10.820   7.686   2.317
  362    H    GLU  43           H        GLU  43  -5.533   8.483   1.299
  363    HA   GLU  43           HA       GLU  43  -6.933  10.914   0.582
  364   1HB   GLU  43          1HB       GLU  43  -4.355  10.157   1.949
  365   2HB   GLU  43          2HB       GLU  43  -4.723  11.851   1.623
  366   1HG   GLU  43          1HG       GLU  43  -6.965  10.349   2.800
  367   2HG   GLU  43          2HG       GLU  43  -5.555  10.477   3.854
  368    H    SER  44           H        SER  44  -4.378   9.075  -0.912
  369    HA   SER  44           HA       SER  44  -3.077  11.166  -2.381
  370   1HB   SER  44          1HB       SER  44  -2.463   8.683  -1.944
  371   2HB   SER  44          2HB       SER  44  -3.493   8.329  -3.329
  372    HG   SER  44           HG       SER  44  -1.057   8.881  -3.529
  373    H    PHE  45           H        PHE  45  -5.627   8.866  -3.425
  374    HA   PHE  45           HA       PHE  45  -6.061  10.016  -5.999
  375   1HB   PHE  45          1HB       PHE  45  -7.804   8.445  -4.079
  376   2HB   PHE  45          2HB       PHE  45  -8.241   8.756  -5.759
  377    HD1  PHE  45           HD1      PHE  45  -7.086   6.233  -3.809
  378    HD2  PHE  45           HD2      PHE  45  -5.859   8.449  -7.305
  379    HE1  PHE  45           HE1      PHE  45  -5.694   4.301  -4.547
  380    HE2  PHE  45           HE2      PHE  45  -4.469   6.518  -8.041
  381    HZ   PHE  45           HZ       PHE  45  -4.391   4.444  -6.665
  382    H    LYS  46           H        LYS  46  -7.248  10.927  -2.810
  383    HA   LYS  46           HA       LYS  46  -9.486  12.522  -3.654
  384   1HB   LYS  46          1HB       LYS  46  -8.303  11.654  -1.295
  385   2HB   LYS  46          2HB       LYS  46  -8.065  13.401  -1.246
  386   1HG   LYS  46          1HG       LYS  46 -10.420  13.809  -1.520
  387   2HG   LYS  46          2HG       LYS  46 -10.730  12.107  -1.858
  388   1HD   LYS  46          1HD       LYS  46 -10.310  11.464   0.377
  389   2HD   LYS  46          2HD       LYS  46  -9.491  12.978   0.749
  390   1HE   LYS  46          1HE       LYS  46 -11.520  13.552   1.664
  391   2HE   LYS  46          2HE       LYS  46 -11.960  13.900  -0.021
  392   1HZ   LYS  46          1HZ       LYS  46 -12.250  11.264   1.325
  393   2HZ   LYS  46          2HZ       LYS  46 -12.670  11.614  -0.283
  394   3HZ   LYS  46          3HZ       LYS  46 -13.520  12.341   1.000
  395    H    LYS  47           H        LYS  47  -6.028  13.197  -3.371
  396    HA   LYS  47           HA       LYS  47  -6.006  16.012  -3.363
  397   1HB   LYS  47          1HB       LYS  47  -4.267  13.777  -4.137
  398   2HB   LYS  47          2HB       LYS  47  -3.918  15.263  -5.022
  399   1HG   LYS  47          1HG       LYS  47  -3.902  16.470  -2.794
  400   2HG   LYS  47          2HG       LYS  47  -3.979  14.887  -2.017
  401   1HD   LYS  47          1HD       LYS  47  -1.839  15.690  -4.007
  402   2HD   LYS  47          2HD       LYS  47  -1.639  15.777  -2.256
  403   1HE   LYS  47          1HE       LYS  47  -2.265  13.294  -2.190
  404   2HE   LYS  47          2HE       LYS  47  -2.053  13.301  -3.953
  405   1HZ   LYS  47          1HZ       LYS  47  -0.054  14.074  -1.897
  406   2HZ   LYS  47          2HZ       LYS  47   0.141  14.382  -3.556
  407   3HZ   LYS  47          3HZ       LYS  47   0.049  12.783  -2.993
  408    H    GLU  48           H        GLU  48  -6.717  13.793  -6.016
  409    HA   GLU  48           HA       GLU  48  -6.899  16.104  -7.908
  410   1HB   GLU  48          1HB       GLU  48  -6.896  13.100  -8.357
  411   2HB   GLU  48          2HB       GLU  48  -6.810  14.333  -9.617
  412   1HG   GLU  48          1HG       GLU  48  -4.744  15.178  -8.176
  413   2HG   GLU  48          2HG       GLU  48  -4.726  13.498  -7.638
  414    H    GLY  49           H        GLY  49  -8.847  13.944  -6.051
  415   1HA   GLY  49          1HA       GLY  49 -11.210  14.102  -5.817
  416   2HA   GLY  49          2HA       GLY  49 -11.270  15.068  -7.293
  417    H    ARG  50           H        ARG  50  -9.420  12.143  -7.383
  418    HA   ARG  50           HA       ARG  50 -10.810  11.030  -9.585
  419   1HB   ARG  50          1HB       ARG  50  -9.174   9.700  -7.404
  420   2HB   ARG  50          2HB       ARG  50  -9.507   9.010  -8.992
  421   1HG   ARG  50          1HG       ARG  50  -8.527  11.549  -9.574
  422   2HG   ARG  50          2HG       ARG  50  -7.525  11.015  -8.225
  423   1HD   ARG  50          1HD       ARG  50  -7.219   8.811  -9.498
  424   2HD   ARG  50          2HD       ARG  50  -7.918   9.649 -10.899
  425    HE   ARG  50           HE       ARG  50  -5.715  11.043  -9.503
  426   1HH1  ARG  50          1HH1      ARG  50  -7.124  10.547 -12.448
  427   2HH1  ARG  50          2HH1      ARG  50  -5.658  10.276 -13.330
  428   1HH2  ARG  50          1HH2      ARG  50  -3.673  10.076 -10.494
  429   2HH2  ARG  50          2HH2      ARG  50  -3.705  10.009 -12.225
  430    H    ILE  51           H        ILE  51 -11.120  10.368  -6.091
  431    HA   ILE  51           HA       ILE  51 -13.390   8.527  -6.579
  432    HB   ILE  51           HB       ILE  51 -13.180   8.186  -4.131
  433   1HG1  ILE  51          1HG1      ILE  51 -10.850  10.104  -4.182
  434   2HG1  ILE  51          2HG1      ILE  51 -12.480  10.672  -3.812
  435   1HG2  ILE  51          1HG2      ILE  51 -11.680   6.710  -5.004
  436   2HG2  ILE  51          2HG2      ILE  51 -10.470   7.819  -4.350
  437   3HG2  ILE  51          3HG2      ILE  51 -10.940   7.927  -6.046
  438   1HD1  ILE  51          1HD1      ILE  51 -10.650   8.984  -2.202
  439   2HD1  ILE  51          2HD1      ILE  51 -12.340   8.486  -2.200
  440   3HD1  ILE  51          3HD1      ILE  51 -11.900  10.111  -1.676
  441    H    GLY  52           H        GLY  52 -15.380   8.907  -5.143
  442   1HA   GLY  52          1HA       GLY  52 -15.960  11.835  -4.920
  443   2HA   GLY  52          2HA       GLY  52 -17.140  10.705  -5.582
  444    H    ALA  53           H        ALA  53 -15.140  11.093  -2.636
  445    HA   ALA  53           HA       ALA  53 -16.880   9.482  -0.987
  446   1HB   ALA  53          1HB       ALA  53 -15.250  11.583   0.290
  447   2HB   ALA  53          2HB       ALA  53 -14.360  10.568  -0.841
  448   3HB   ALA  53          3HB       ALA  53 -15.210   9.836   0.520
  449   1H    MET   1          1H        MET   1   1.766 -15.565 -19.162
  450   2H    MET   1          2H        MET   1   1.710 -14.181 -20.147
  451   3H    MET   1          3H        MET   1   0.649 -14.332 -18.830
  452    HA   MET   1           HA       MET   1   2.344 -13.999 -17.257
  453   1HB   MET   1          1HB       MET   1   3.845 -15.619 -18.341
  454   2HB   MET   1          2HB       MET   1   4.166 -14.469 -19.639
  455   1HG   MET   1          1HG       MET   1   6.000 -14.118 -18.235
  456   2HG   MET   1          2HG       MET   1   4.880 -12.877 -17.674
  457   1HE   MET   1          1HE       MET   1   6.588 -12.833 -16.045
  458   2HE   MET   1          2HE       MET   1   7.339 -14.313 -15.454
  459   3HE   MET   1          3HE       MET   1   6.221 -13.427 -14.420
  460    H    LYS   2           H        LYS   2   1.412 -11.889 -17.208
  461    HA   LYS   2           HA       LYS   2   3.052  -9.744 -18.259
  462   1HB   LYS   2          1HB       LYS   2   1.573 -10.797 -20.186
  463   2HB   LYS   2          2HB       LYS   2   0.297  -9.824 -19.452
  464   1HG   LYS   2          1HG       LYS   2   1.271  -7.836 -20.064
  465   2HG   LYS   2          2HG       LYS   2   2.908  -8.471 -19.906
  466   1HD   LYS   2          1HD       LYS   2   2.817  -8.385 -22.199
  467   2HD   LYS   2          2HD       LYS   2   2.079  -9.972 -21.980
  468   1HE   LYS   2          1HE       LYS   2   0.027  -7.987 -21.680
  469   2HE   LYS   2          2HE       LYS   2   0.904  -7.673 -23.191
  470   1HZ   LYS   2          1HZ       LYS   2  -0.656  -9.316 -23.743
  471   2HZ   LYS   2          2HZ       LYS   2  -0.388 -10.189 -22.311
  472   3HZ   LYS   2          3HZ       LYS   2   0.794 -10.170 -23.532
  473    H    GLY   3           H        GLY   3   2.749  -8.039 -16.867
  474   1HA   GLY   3          1HA       GLY   3   1.563  -6.510 -15.490
  475   2HA   GLY   3          2HA       GLY   3   0.088  -7.433 -15.788
  476    H    MET   4           H        MET   4   3.168  -8.722 -14.596
  477    HA   MET   4           HA       MET   4   3.648  -9.911 -12.612
  478   1HB   MET   4          1HB       MET   4   2.548  -7.393 -12.049
  479   2HB   MET   4          2HB       MET   4   1.687  -8.502 -10.978
  480   1HG   MET   4          1HG       MET   4   3.517  -8.206  -9.643
  481   2HG   MET   4          2HG       MET   4   4.219  -9.437 -10.691
  482   1HE   MET   4          1HE       MET   4   6.894  -7.901 -12.604
  483   2HE   MET   4          2HE       MET   4   5.581  -9.074 -12.681
  484   3HE   MET   4          3HE       MET   4   6.643  -9.043 -11.277
  485    H    SER   5           H        SER   5   1.883 -10.514 -10.442
  486    HA   SER   5           HA       SER   5   0.269 -12.640 -11.707
  487   1HB   SER   5          1HB       SER   5   1.313 -11.922  -8.994
  488   2HB   SER   5          2HB       SER   5  -0.072 -13.006  -9.085
  489    HG   SER   5           HG       SER   5   2.530 -13.324 -10.135
  490    H    LYS   6           H        LYS   6  -1.877 -12.980 -10.147
  491    HA   LYS   6           HA       LYS   6  -3.702 -10.893 -10.935
  492   1HB   LYS   6          1HB       LYS   6  -5.295 -12.284  -9.610
  493   2HB   LYS   6          2HB       LYS   6  -4.307 -13.260 -10.698
  494   1HG   LYS   6          1HG       LYS   6  -2.952 -14.066  -8.947
  495   2HG   LYS   6          2HG       LYS   6  -3.441 -12.771  -7.852
  496   1HD   LYS   6          1HD       LYS   6  -4.712 -14.549  -7.044
  497   2HD   LYS   6          2HD       LYS   6  -5.842 -13.807  -8.175
  498   1HE   LYS   6          1HE       LYS   6  -5.956 -15.783  -9.277
  499   2HE   LYS   6          2HE       LYS   6  -4.237 -15.614  -9.683
  500   1HZ   LYS   6          1HZ       LYS   6  -4.678 -17.626  -8.367
  501   2HZ   LYS   6          2HZ       LYS   6  -5.281 -16.661  -7.104
  502   3HZ   LYS   6          3HZ       LYS   6  -3.646 -16.550  -7.557
  503    H    MET   7           H        MET   7  -5.341 -10.550  -8.691
  504    HA   MET   7           HA       MET   7  -4.218  -8.311  -7.375
  505   1HB   MET   7          1HB       MET   7  -6.487 -10.221  -6.887
  506   2HB   MET   7          2HB       MET   7  -6.125  -8.989  -5.678
  507   1HG   MET   7          1HG       MET   7  -6.297  -7.240  -7.422
  508   2HG   MET   7          2HG       MET   7  -6.698  -8.477  -8.612
  509   1HE   MET   7          1HE       MET   7  -8.355  -5.864  -6.270
  510   2HE   MET   7          2HE       MET   7  -9.723  -6.077  -7.359
  511   3HE   MET   7          3HE       MET   7  -8.094  -5.953  -8.018
  512    HA   PRO   8           HA       PRO   8  -1.584 -10.317  -4.420
  513   1HB   PRO   8          1HB       PRO   8  -1.112  -8.178  -2.786
  514   2HB   PRO   8          2HB       PRO   8  -0.363  -8.351  -4.386
  515   1HG   PRO   8          1HG       PRO   8  -2.638  -6.651  -3.535
  516   2HG   PRO   8          2HG       PRO   8  -1.384  -6.342  -4.742
  517   1HD   PRO   8          1HD       PRO   8  -3.971  -7.126  -5.312
  518   2HD   PRO   8          2HD       PRO   8  -2.585  -7.315  -6.406
  519    H    GLN   9           H        GLN   9  -1.644 -10.985  -2.150
  520    HA   GLN   9           HA       GLN   9  -4.359 -11.149  -1.064
  521   1HB   GLN   9          1HB       GLN   9  -1.850 -12.520  -0.914
  522   2HB   GLN   9          2HB       GLN   9  -2.346 -12.106   0.726
  523   1HG   GLN   9          1HG       GLN   9  -3.247 -14.309   0.015
  524   2HG   GLN   9          2HG       GLN   9  -4.530 -13.152   0.364
  525   1HE2  GLN   9          1HE2      GLN   9  -2.529 -13.193  -2.604
  526   2HE2  GLN   9          2HE2      GLN   9  -3.815 -13.532  -3.658
  527    H    PHE  10           H        PHE  10  -2.069  -8.731  -0.913
  528    HA   PHE  10           HA       PHE  10  -2.389  -8.076   1.947
  529   1HB   PHE  10          1HB       PHE  10  -0.239  -7.736   0.885
  530   2HB   PHE  10          2HB       PHE  10  -0.976  -6.819  -0.427
  531    HD1  PHE  10           HD1      PHE  10  -1.449  -4.480  -0.213
  532    HD2  PHE  10           HD2      PHE  10  -0.240  -6.782   3.234
  533    HE1  PHE  10           HE1      PHE  10  -1.171  -2.377   1.095
  534    HE2  PHE  10           HE2      PHE  10   0.039  -4.678   4.540
  535    HZ   PHE  10           HZ       PHE  10  -0.427  -2.475   3.471
  536    H    LEU  11           H        LEU  11  -3.790  -7.233  -1.142
  537    HA   LEU  11           HA       LEU  11  -5.164  -4.856   0.017
  538   1HB   LEU  11          1HB       LEU  11  -4.977  -6.011  -2.785
  539   2HB   LEU  11          2HB       LEU  11  -5.770  -4.491  -2.373
  540    HG   LEU  11           HG       LEU  11  -2.882  -5.038  -1.672
  541   1HD1  LEU  11          1HD1      LEU  11  -3.577  -3.287  -3.977
  542   2HD1  LEU  11          2HD1      LEU  11  -3.692  -5.027  -4.240
  543   3HD1  LEU  11          3HD1      LEU  11  -2.163  -4.311  -3.728
  544   1HD2  LEU  11          1HD2      LEU  11  -4.543  -2.516  -1.970
  545   2HD2  LEU  11          2HD2      LEU  11  -2.823  -2.550  -1.589
  546   3HD2  LEU  11          3HD2      LEU  11  -3.991  -3.219  -0.451
  547    H    ASN  12           H        ASN  12  -5.838  -7.733   0.707
  548    HA   ASN  12           HA       ASN  12  -8.358  -8.357  -0.608
  549   1HB   ASN  12          1HB       ASN  12  -6.473  -9.626   0.994
  550   2HB   ASN  12          2HB       ASN  12  -7.880  -9.497   2.049
  551   1HD2  ASN  12          1HD2      ASN  12  -6.555 -11.191  -0.674
  552   2HD2  ASN  12          2HD2      ASN  12  -7.927 -12.125  -1.028
  553    H    ARG  13           H        ARG  13  -7.402  -6.364   2.090
  554    HA   ARG  13           HA       ARG  13 -10.130  -6.267   3.222
  555   1HB   ARG  13          1HB       ARG  13  -7.874  -6.272   4.473
  556   2HB   ARG  13          2HB       ARG  13  -7.732  -4.590   3.963
  557   1HG   ARG  13          1HG       ARG  13  -9.263  -3.890   5.475
  558   2HG   ARG  13          2HG       ARG  13 -10.360  -5.220   5.099
  559   1HD   ARG  13          1HD       ARG  13  -7.849  -5.844   6.620
  560   2HD   ARG  13          2HD       ARG  13  -9.210  -5.098   7.484
  561    HE   ARG  13           HE       ARG  13  -9.642  -7.525   5.792
  562   1HH1  ARG  13          1HH1      ARG  13  -8.664  -7.965   8.634
  563   2HH1  ARG  13          2HH1      ARG  13 -10.160  -8.182   9.478
  564   1HH2  ARG  13          1HH2      ARG  13 -12.090  -6.855   6.926
  565   2HH2  ARG  13          2HH2      ARG  13 -12.100  -7.552   8.512
  566    H    TRP  14           H        TRP  14  -8.381  -4.659   0.777
  567    HA   TRP  14           HA       TRP  14  -9.491  -1.994   1.087
  568   1HB   TRP  14          1HB       TRP  14  -8.090  -3.563  -1.078
  569   2HB   TRP  14          2HB       TRP  14  -8.600  -1.898  -1.311
  570    HD1  TRP  14           HD1      TRP  14  -7.233  -3.185   2.044
  571    HE1  TRP  14           HE1      TRP  14  -5.021  -1.956   2.542
  572    HE3  TRP  14           HE3      TRP  14  -6.674  -0.668  -2.333
  573    HZ2  TRP  14           HZ2      TRP  14  -3.222  -0.118   1.227
  574    HZ3  TRP  14           HZ3      TRP  14  -4.700   0.820  -2.718
  575    HH2  TRP  14           HH2      TRP  14  -2.980   1.095  -0.937
  576    HA   PRO  15           HA       PRO  15 -13.440  -2.950  -0.675
  577   1HB   PRO  15          1HB       PRO  15 -14.220  -0.424  -1.379
  578   2HB   PRO  15          2HB       PRO  15 -14.230  -1.010   0.294
  579   1HG   PRO  15          1HG       PRO  15 -12.250   0.726  -1.092
  580   2HG   PRO  15          2HG       PRO  15 -12.850   0.806   0.571
  581   1HD   PRO  15          1HD       PRO  15 -10.430  -0.243  -0.106
  582   2HD   PRO  15          2HD       PRO  15 -11.350  -0.737   1.331
  583    H    ARG  16           H        ARG  16 -14.670  -2.351  -2.818
  584    HA   ARG  16           HA       ARG  16 -12.860  -2.864  -5.035
  585   1HB   ARG  16          1HB       ARG  16 -14.780  -4.052  -5.362
  586   2HB   ARG  16          2HB       ARG  16 -15.710  -3.011  -4.297
  587   1HG   ARG  16          1HG       ARG  16 -16.330  -1.583  -5.990
  588   2HG   ARG  16          2HG       ARG  16 -14.930  -1.961  -6.986
  589   1HD   ARG  16          1HD       ARG  16 -16.490  -3.190  -8.162
  590   2HD   ARG  16          2HD       ARG  16 -16.110  -4.403  -6.923
  591    HE   ARG  16           HE       ARG  16 -18.320  -2.422  -6.531
  592   1HH1  ARG  16          1HH1      ARG  16 -17.230  -4.656  -4.601
  593   2HH1  ARG  16          2HH1      ARG  16 -18.520  -5.799  -4.728
  594   1HH2  ARG  16          1HH2      ARG  16 -19.920  -4.304  -7.528
  595   2HH2  ARG  16          2HH2      ARG  16 -20.050  -5.598  -6.385
  596    H    GLU  17           H        GLU  17 -14.490  -0.107  -3.634
  597    HA   GLU  17           HA       GLU  17 -14.480   1.587  -5.971
  598   1HB   GLU  17          1HB       GLU  17 -14.520   2.113  -2.981
  599   2HB   GLU  17          2HB       GLU  17 -14.800   3.356  -4.199
  600   1HG   GLU  17          1HG       GLU  17 -16.710   2.055  -5.077
  601   2HG   GLU  17          2HG       GLU  17 -16.440   0.825  -3.844
  602    H    VAL  18           H        VAL  18 -12.100   0.743  -3.542
  603    HA   VAL  18           HA       VAL  18 -10.260   2.900  -4.418
  604    HB   VAL  18           HB       VAL  18 -10.070   0.697  -2.335
  605   1HG1  VAL  18          1HG1      VAL  18  -8.004   1.469  -1.758
  606   2HG1  VAL  18          2HG1      VAL  18  -8.404   3.139  -2.159
  607   3HG1  VAL  18          3HG1      VAL  18  -7.966   2.005  -3.437
  608   1HG2  VAL  18          1HG2      VAL  18 -10.810   2.268  -0.763
  609   2HG2  VAL  18          2HG2      VAL  18 -11.810   2.658  -2.163
  610   3HG2  VAL  18          3HG2      VAL  18 -10.390   3.638  -1.789
  611    H    LEU  19           H        LEU  19 -10.410  -0.670  -4.336
  612    HA   LEU  19           HA       LEU  19  -7.888  -1.157  -5.577
  613   1HB   LEU  19          1HB       LEU  19 -10.490  -2.641  -5.301
  614   2HB   LEU  19          2HB       LEU  19  -9.137  -3.357  -6.163
  615    HG   LEU  19           HG       LEU  19  -8.891  -2.245  -3.361
  616   1HD1  LEU  19          1HD1      LEU  19  -9.865  -4.892  -4.351
  617   2HD1  LEU  19          2HD1      LEU  19 -10.330  -3.994  -2.907
  618   3HD1  LEU  19          3HD1      LEU  19  -8.806  -4.880  -2.940
  619   1HD2  LEU  19          1HD2      LEU  19  -6.751  -3.097  -3.402
  620   2HD2  LEU  19          2HD2      LEU  19  -6.942  -2.803  -5.130
  621   3HD2  LEU  19          3HD2      LEU  19  -7.188  -4.423  -4.479
  622    H    ASP  20           H        ASP  20 -11.070  -0.438  -6.907
  623    HA   ASP  20           HA       ASP  20 -10.520  -1.174  -9.634
  624   1HB   ASP  20          1HB       ASP  20 -12.770  -0.835  -8.708
  625   2HB   ASP  20          2HB       ASP  20 -12.400   0.861  -8.389
  626    H    LEU  21           H        LEU  21  -9.908   1.731  -7.737
  627    HA   LEU  21           HA       LEU  21  -9.166   3.385 -10.032
  628   1HB   LEU  21          1HB       LEU  21 -10.150   4.214  -7.906
  629   2HB   LEU  21          2HB       LEU  21  -8.713   3.676  -7.043
  630    HG   LEU  21           HG       LEU  21  -7.325   5.194  -8.405
  631   1HD1  LEU  21          1HD1      LEU  21  -9.988   5.747  -9.704
  632   2HD1  LEU  21          2HD1      LEU  21  -8.443   5.381 -10.472
  633   3HD1  LEU  21          3HD1      LEU  21  -8.704   6.957  -9.724
  634   1HD2  LEU  21          1HD2      LEU  21  -8.134   7.289  -7.428
  635   2HD2  LEU  21          2HD2      LEU  21  -8.347   5.972  -6.275
  636   3HD2  LEU  21          3HD2      LEU  21  -9.729   6.583  -7.184
  637    H    VAL  22           H        VAL  22  -7.434   1.566  -7.497
  638    HA   VAL  22           HA       VAL  22  -4.786   2.379  -8.011
  639    HB   VAL  22           HB       VAL  22  -5.822  -0.396  -7.339
  640   1HG1  VAL  22          1HG1      VAL  22  -3.344  -0.032  -7.901
  641   2HG1  VAL  22          2HG1      VAL  22  -3.698  -0.782  -6.345
  642   3HG1  VAL  22          3HG1      VAL  22  -3.265   0.926  -6.422
  643   1HG2  VAL  22          1HG2      VAL  22  -5.041   0.961  -5.002
  644   2HG2  VAL  22          2HG2      VAL  22  -6.689   0.553  -5.484
  645   3HG2  VAL  22          3HG2      VAL  22  -6.006   2.125  -5.907
  646    H    ARG  23           H        ARG  23  -6.574  -0.360  -9.463
  647    HA   ARG  23           HA       ARG  23  -4.555  -1.256 -11.240
  648   1HB   ARG  23          1HB       ARG  23  -7.577  -1.208 -11.550
  649   2HB   ARG  23          2HB       ARG  23  -6.476  -2.281 -12.415
  650   1HG   ARG  23          1HG       ARG  23  -5.995  -2.388  -9.553
  651   2HG   ARG  23          2HG       ARG  23  -7.674  -2.776  -9.929
  652   1HD   ARG  23          1HD       ARG  23  -5.701  -4.030 -11.743
  653   2HD   ARG  23          2HD       ARG  23  -5.645  -4.605 -10.064
  654    HE   ARG  23           HE       ARG  23  -8.364  -4.486 -10.684
  655   1HH1  ARG  23          1HH1      ARG  23  -5.869  -6.670 -10.706
  656   2HH1  ARG  23          2HH1      ARG  23  -6.569  -7.757 -11.859
  657   1HH2  ARG  23          1HH2      ARG  23  -9.151  -5.606 -12.715
  658   2HH2  ARG  23          2HH2      ARG  23  -8.428  -7.155 -12.996
  659    H    LYS  24           H        LYS  24  -7.237   1.037 -11.858
  660    HA   LYS  24           HA       LYS  24  -6.542   1.650 -14.558
  661   1HB   LYS  24          1HB       LYS  24  -8.576   2.186 -12.858
  662   2HB   LYS  24          2HB       LYS  24  -7.742   3.738 -12.812
  663   1HG   LYS  24          1HG       LYS  24  -7.744   3.073 -15.514
  664   2HG   LYS  24          2HG       LYS  24  -9.336   2.561 -14.954
  665   1HD   LYS  24          1HD       LYS  24  -9.188   4.949 -13.712
  666   2HD   LYS  24          2HD       LYS  24  -8.173   5.292 -15.114
  667   1HE   LYS  24          1HE       LYS  24 -10.750   3.881 -15.626
  668   2HE   LYS  24          2HE       LYS  24 -10.830   5.609 -15.225
  669   1HZ   LYS  24          1HZ       LYS  24  -9.154   6.043 -16.901
  670   2HZ   LYS  24          2HZ       LYS  24 -10.490   5.266 -17.607
  671   3HZ   LYS  24          3HZ       LYS  24  -9.068   4.393 -17.288
  672    H    VAL  25           H        VAL  25  -5.088   2.636 -11.559
  673    HA   VAL  25           HA       VAL  25  -3.829   5.038 -12.720
  674    HB   VAL  25           HB       VAL  25  -3.614   3.611 -10.052
  675   1HG1  VAL  25          1HG1      VAL  25  -2.773   6.453 -10.592
  676   2HG1  VAL  25          2HG1      VAL  25  -1.644   5.125 -10.847
  677   3HG1  VAL  25          3HG1      VAL  25  -2.326   5.405  -9.246
  678   1HG2  VAL  25          1HG2      VAL  25  -4.863   6.291 -10.369
  679   2HG2  VAL  25          2HG2      VAL  25  -5.324   4.953  -9.317
  680   3HG2  VAL  25          3HG2      VAL  25  -5.763   4.924 -11.026
  681    H    ALA  26           H        ALA  26  -3.001   1.691 -12.014
  682    HA   ALA  26           HA       ALA  26  -0.120   2.090 -12.401
  683   1HB   ALA  26          1HB       ALA  26  -0.095  -0.339 -12.104
  684   2HB   ALA  26          2HB       ALA  26  -1.839  -0.410 -12.357
  685   3HB   ALA  26          3HB       ALA  26  -1.187   0.376 -10.916
  686    H    GLU  27           H        GLU  27  -2.909   1.251 -14.351
  687    HA   GLU  27           HA       GLU  27  -1.261   0.322 -16.615
  688   1HB   GLU  27          1HB       GLU  27  -3.693  -0.355 -15.664
  689   2HB   GLU  27          2HB       GLU  27  -4.181   0.863 -16.842
  690   1HG   GLU  27          1HG       GLU  27  -2.716  -0.350 -18.529
  691   2HG   GLU  27          2HG       GLU  27  -2.574  -1.649 -17.346
  692    H    GLU  28           H        GLU  28  -2.610   3.302 -15.461
  693    HA   GLU  28           HA       GLU  28  -2.704   4.506 -18.171
  694   1HB   GLU  28          1HB       GLU  28  -3.633   6.412 -16.981
  695   2HB   GLU  28          2HB       GLU  28  -4.394   4.947 -16.366
  696   1HG   GLU  28          1HG       GLU  28  -2.935   4.943 -14.423
  697   2HG   GLU  28          2HG       GLU  28  -2.021   6.310 -15.062
  698    H    ASN  29           H        ASN  29  -0.608   4.422 -15.354
  699    HA   ASN  29           HA       ASN  29   1.081   6.630 -16.375
  700   1HB   ASN  29          1HB       ASN  29   0.687   5.060 -13.896
  701   2HB   ASN  29          2HB       ASN  29   2.350   5.567 -14.202
  702   1HD2  ASN  29          1HD2      ASN  29  -0.660   6.620 -12.967
  703   2HD2  ASN  29          2HD2      ASN  29  -0.324   8.284 -12.919
  704    H    GLY  30           H        GLY  30   0.934   3.164 -16.511
  705   1HA   GLY  30          1HA       GLY  30   2.298   1.854 -18.004
  706   2HA   GLY  30          2HA       GLY  30   3.498   3.146 -18.001
  707    H    ARG  31           H        ARG  31   2.137   2.121 -14.970
  708    HA   ARG  31           HA       ARG  31   4.720   0.725 -14.331
  709   1HB   ARG  31          1HB       ARG  31   2.893   2.406 -12.579
  710   2HB   ARG  31          2HB       ARG  31   4.415   1.675 -12.070
  711   1HG   ARG  31          1HG       ARG  31   5.242   3.026 -14.278
  712   2HG   ARG  31          2HG       ARG  31   3.935   4.079 -13.731
  713   1HD   ARG  31          1HD       ARG  31   4.975   4.002 -11.411
  714   2HD   ARG  31          2HD       ARG  31   6.376   3.205 -12.154
  715    HE   ARG  31           HE       ARG  31   5.389   5.835 -13.182
  716   1HH1  ARG  31          1HH1      ARG  31   7.345   5.877 -10.865
  717   2HH1  ARG  31          2HH1      ARG  31   8.858   6.016 -11.694
  718   1HH2  ARG  31          1HH2      ARG  31   7.559   5.075 -14.769
  719   2HH2  ARG  31          2HH2      ARG  31   8.980   5.563 -13.907
  720    H    SER  32           H        SER  32   3.997  -0.264 -11.854
  721    HA   SER  32           HA       SER  32   1.859  -2.236 -12.546
  722   1HB   SER  32          1HB       SER  32   4.193  -2.270 -10.601
  723   2HB   SER  32          2HB       SER  32   3.037  -3.587 -10.780
  724    HG   SER  32           HG       SER  32   3.779  -3.973 -12.792
  725    H    VAL  33           H        VAL  33   0.569  -2.943 -10.525
  726    HA   VAL  33           HA       VAL  33  -0.543  -0.601  -9.247
  727    HB   VAL  33           HB       VAL  33  -0.886  -3.591  -8.897
  728   1HG1  VAL  33          1HG1      VAL  33  -3.216  -2.226  -8.135
  729   2HG1  VAL  33          2HG1      VAL  33  -1.895  -1.358  -7.352
  730   3HG1  VAL  33          3HG1      VAL  33  -2.102  -3.086  -7.074
  731   1HG2  VAL  33          1HG2      VAL  33  -2.606  -1.531 -10.313
  732   2HG2  VAL  33          2HG2      VAL  33  -2.807  -3.285 -10.343
  733   3HG2  VAL  33          3HG2      VAL  33  -1.413  -2.542 -11.131
  734    H    ASN  34           H        ASN  34   1.940  -2.910  -8.412
  735    HA   ASN  34           HA       ASN  34   1.907  -2.408  -5.532
  736   1HB   ASN  34          1HB       ASN  34   3.768  -3.681  -7.549
  737   2HB   ASN  34          2HB       ASN  34   4.254  -3.491  -5.865
  738   1HD2  ASN  34          1HD2      ASN  34   3.755  -5.277  -4.603
  739   2HD2  ASN  34          2HD2      ASN  34   2.464  -6.343  -4.880
  740    H    SER  35           H        SER  35   3.406  -0.988  -8.374
  741    HA   SER  35           HA       SER  35   5.249   0.690  -6.804
  742   1HB   SER  35          1HB       SER  35   4.521   0.334  -9.715
  743   2HB   SER  35          2HB       SER  35   5.587   1.635  -9.196
  744    HG   SER  35           HG       SER  35   6.992   0.045  -9.488
  745    H    GLU  36           H        GLU  36   2.072   0.920  -8.305
  746    HA   GLU  36           HA       GLU  36   1.857   3.797  -8.281
  747   1HB   GLU  36          1HB       GLU  36   0.508   1.631  -9.298
  748   2HB   GLU  36          2HB       GLU  36  -0.557   2.118  -7.978
  749   1HG   GLU  36          1HG       GLU  36  -1.221   3.316  -9.964
  750   2HG   GLU  36          2HG       GLU  36  -0.466   4.459  -8.856
  751    H    ILE  37           H        ILE  37   1.006   1.191  -6.017
  752    HA   ILE  37           HA       ILE  37  -0.206   3.006  -4.062
  753    HB   ILE  37           HB       ILE  37   0.625   0.089  -4.116
  754   1HG1  ILE  37          1HG1      ILE  37  -1.329   0.914  -5.520
  755   2HG1  ILE  37          2HG1      ILE  37  -1.720  -0.357  -4.364
  756   1HG2  ILE  37          1HG2      ILE  37  -1.165   0.336  -2.032
  757   2HG2  ILE  37          2HG2      ILE  37  -0.171   1.782  -1.848
  758   3HG2  ILE  37          3HG2      ILE  37   0.586   0.188  -1.851
  759   1HD1  ILE  37          1HD1      ILE  37  -2.784   1.153  -2.883
  760   2HD1  ILE  37          2HD1      ILE  37  -3.315   1.674  -4.482
  761   3HD1  ILE  37          3HD1      ILE  37  -2.040   2.559  -3.648
  762    H    TYR  38           H        TYR  38   2.965   1.684  -4.745
  763    HA   TYR  38           HA       TYR  38   4.131   2.140  -2.136
  764   1HB   TYR  38          1HB       TYR  38   5.025   0.532  -3.720
  765   2HB   TYR  38          2HB       TYR  38   5.220   1.784  -4.945
  766    HD1  TYR  38           HD1      TYR  38   7.481   2.199  -5.312
  767    HD2  TYR  38           HD2      TYR  38   6.057   1.634  -1.284
  768    HE1  TYR  38           HE1      TYR  38   9.762   2.712  -4.438
  769    HE2  TYR  38           HE2      TYR  38   8.334   2.146  -0.402
  770    HH   TYR  38           HH       TYR  38  10.542   3.703  -1.803
  771    H    GLN  39           H        GLN  39   3.924   4.031  -5.148
  772    HA   GLN  39           HA       GLN  39   5.651   6.176  -4.232
  773   1HB   GLN  39          1HB       GLN  39   4.209   5.351  -6.568
  774   2HB   GLN  39          2HB       GLN  39   3.780   7.025  -6.223
  775   1HG   GLN  39          1HG       GLN  39   5.739   7.654  -7.135
  776   2HG   GLN  39          2HG       GLN  39   6.564   6.848  -5.800
  777   1HE2  GLN  39          1HE2      GLN  39   7.842   5.060  -6.347
  778   2HE2  GLN  39          2HE2      GLN  39   7.787   4.255  -7.840
  779    H    ARG  40           H        ARG  40   2.110   5.710  -4.362
  780    HA   ARG  40           HA       ARG  40   1.403   8.304  -3.348
  781   1HB   ARG  40          1HB       ARG  40   0.061   5.580  -3.288
  782   2HB   ARG  40          2HB       ARG  40  -0.753   7.079  -2.834
  783   1HG   ARG  40          1HG       ARG  40  -0.081   7.989  -5.118
  784   2HG   ARG  40          2HG       ARG  40   0.382   6.341  -5.539
  785   1HD   ARG  40          1HD       ARG  40  -1.998   5.663  -4.786
  786   2HD   ARG  40          2HD       ARG  40  -2.375   7.394  -4.875
  787    HE   ARG  40           HE       ARG  40  -2.016   5.676  -7.152
  788   1HH1  ARG  40          1HH1      ARG  40  -3.417   8.311  -7.269
  789   2HH1  ARG  40          2HH1      ARG  40  -2.326   9.265  -8.218
  790   1HH2  ARG  40          1HH2      ARG  40   0.356   7.109  -7.790
  791   2HH2  ARG  40          2HH2      ARG  40  -0.190   8.586  -8.513
  792    H    VAL  41           H        VAL  41   2.488   5.340  -1.845
  793    HA   VAL  41           HA       VAL  41   1.749   6.132   0.887
  794    HB   VAL  41           HB       VAL  41   3.330   3.908  -0.436
  795   1HG1  VAL  41          1HG1      VAL  41   4.302   4.355   1.806
  796   2HG1  VAL  41          2HG1      VAL  41   3.459   2.806   1.751
  797   3HG1  VAL  41          3HG1      VAL  41   2.696   4.198   2.517
  798   1HG2  VAL  41          1HG2      VAL  41   0.909   3.485   1.249
  799   2HG2  VAL  41          2HG2      VAL  41   1.413   2.658  -0.225
  800   3HG2  VAL  41          3HG2      VAL  41   0.674   4.257  -0.319
  801    H    MET  42           H        MET  42   4.495   6.358  -1.268
  802    HA   MET  42           HA       MET  42   6.513   6.928   0.729
  803   1HB   MET  42          1HB       MET  42   6.245   6.514  -2.080
  804   2HB   MET  42          2HB       MET  42   7.080   8.049  -1.854
  805   1HG   MET  42          1HG       MET  42   7.885   5.597  -0.299
  806   2HG   MET  42          2HG       MET  42   8.516   5.896  -1.918
  807   1HE   MET  42          1HE       MET  42  10.193   6.956  -2.506
  808   2HE   MET  42          2HE       MET  42  11.251   8.076  -1.651
  809   3HE   MET  42          3HE       MET  42   9.771   8.669  -2.400
  810    H    GLU  43           H        GLU  43   4.432   8.961  -1.342
  811    HA   GLU  43           HA       GLU  43   5.624  11.472  -0.530
  812   1HB   GLU  43          1HB       GLU  43   3.117  10.550  -1.926
  813   2HB   GLU  43          2HB       GLU  43   3.336  12.256  -1.529
  814   1HG   GLU  43          1HG       GLU  43   5.697  11.007  -2.767
  815   2HG   GLU  43          2HG       GLU  43   4.278  11.055  -3.815
  816    H    SER  44           H        SER  44   3.240   9.359   0.885
  817    HA   SER  44           HA       SER  44   1.772  11.262   2.446
  818   1HB   SER  44          1HB       SER  44   1.370   8.758   1.907
  819   2HB   SER  44          2HB       SER  44   2.445   8.432   3.263
  820    HG   SER  44           HG       SER  44  -0.032   8.770   3.505
  821    H    PHE  45           H        PHE  45   4.519   9.153   3.393
  822    HA   PHE  45           HA       PHE  45   4.860  10.231   6.011
  823   1HB   PHE  45          1HB       PHE  45   6.726   8.899   4.030
  824   2HB   PHE  45          2HB       PHE  45   7.140   9.175   5.722
  825    HD1  PHE  45           HD1      PHE  45   6.214   6.642   3.667
  826    HD2  PHE  45           HD2      PHE  45   4.792   8.594   7.247
  827    HE1  PHE  45           HE1      PHE  45   5.005   4.564   4.321
  828    HE2  PHE  45           HE2      PHE  45   3.582   6.516   7.899
  829    HZ   PHE  45           HZ       PHE  45   3.693   4.501   6.440
  830    H    LYS  46           H        LYS  46   5.954  11.371   2.862
  831    HA   LYS  46           HA       LYS  46   8.048  13.123   3.772
  832   1HB   LYS  46          1HB       LYS  46   6.936  12.249   1.382
  833   2HB   LYS  46          2HB       LYS  46   6.544  13.969   1.402
  834   1HG   LYS  46          1HG       LYS  46   8.858  14.572   1.691
  835   2HG   LYS  46          2HG       LYS  46   9.318  12.892   1.956
  836   1HD   LYS  46          1HD       LYS  46   8.947  12.308  -0.303
  837   2HD   LYS  46          2HD       LYS  46   7.991  13.759  -0.609
  838   1HE   LYS  46          1HE       LYS  46   9.958  14.544  -1.503
  839   2HE   LYS  46          2HE       LYS  46  10.373  14.861   0.193
  840   1HZ   LYS  46          1HZ       LYS  46  10.892  12.318  -1.260
  841   2HZ   LYS  46          2HZ       LYS  46  11.290  12.637   0.361
  842   3HZ   LYS  46          3HZ       LYS  46  12.063  13.488  -0.890
  843    H    LYS  47           H        LYS  47   4.542  13.503   3.518
  844    HA   LYS  47           HA       LYS  47   4.272  16.302   3.630
  845   1HB   LYS  47          1HB       LYS  47   2.741  13.892   4.316
  846   2HB   LYS  47          2HB       LYS  47   2.268  15.305   5.256
  847   1HG   LYS  47          1HG       LYS  47   2.134  16.590   3.078
  848   2HG   LYS  47          2HG       LYS  47   2.344  15.051   2.241
  849   1HD   LYS  47          1HD       LYS  47   0.158  15.576   4.275
  850   2HD   LYS  47          2HD       LYS  47  -0.066  15.730   2.531
  851   1HE   LYS  47          1HE       LYS  47   0.781  13.315   2.348
  852   2HE   LYS  47          2HE       LYS  47   0.573  13.224   4.108
  853   1HZ   LYS  47          1HZ       LYS  47  -1.490  13.904   2.086
  854   2HZ   LYS  47          2HZ       LYS  47  -1.709  14.131   3.755
  855   3HZ   LYS  47          3HZ       LYS  47  -1.479  12.568   3.130
  856    H    GLU  48           H        GLU  48   5.187  14.044   6.183
  857    HA   GLU  48           HA       GLU  48   5.170  16.278   8.170
  858   1HB   GLU  48          1HB       GLU  48   5.428  13.270   8.494
  859   2HB   GLU  48          2HB       GLU  48   5.238  14.435   9.805
  860   1HG   GLU  48          1HG       GLU  48   3.105  15.158   8.397
  861   2HG   GLU  48          2HG       GLU  48   3.230  13.507   7.789
  862    H    GLY  49           H        GLY  49   7.292  14.378   6.226
  863   1HA   GLY  49          1HA       GLY  49   9.638  14.758   5.998
  864   2HA   GLY  49          2HA       GLY  49   9.614  15.659   7.513
  865    H    ARG  50           H        ARG  50   8.028  12.580   7.483
  866    HA   ARG  50           HA       ARG  50   9.533  11.504   9.633
  867   1HB   ARG  50          1HB       ARG  50   8.007  10.116   7.403
  868   2HB   ARG  50          2HB       ARG  50   8.403   9.404   8.968
  869   1HG   ARG  50          1HG       ARG  50   7.200  11.817   9.643
  870   2HG   ARG  50          2HG       ARG  50   6.252  11.253   8.268
  871   1HD   ARG  50          1HD       ARG  50   6.127   8.984   9.441
  872   2HD   ARG  50          2HD       ARG  50   6.766   9.807  10.880
  873    HE   ARG  50           HE       ARG  50   4.452  11.090   9.562
  874   1HH1  ARG  50          1HH1      ARG  50   5.904  10.594  12.477
  875   2HH1  ARG  50          2HH1      ARG  50   4.474  10.146  13.347
  876   1HH2  ARG  50          1HH2      ARG  50   2.510   9.869  10.502
  877   2HH2  ARG  50          2HH2      ARG  50   2.552   9.735  12.228
  878    H    ILE  51           H        ILE  51   9.881  11.017   6.115
  879    HA   ILE  51           HA       ILE  51  12.302   9.362   6.523
  880    HB   ILE  51           HB       ILE  51  12.111   9.110   4.062
  881   1HG1  ILE  51          1HG1      ILE  51   9.625  10.817   4.203
  882   2HG1  ILE  51          2HG1      ILE  51  11.197  11.534   3.849
  883   1HG2  ILE  51          1HG2      ILE  51  10.756   7.469   4.872
  884   2HG2  ILE  51          2HG2      ILE  51   9.451   8.492   4.267
  885   3HG2  ILE  51          3HG2      ILE  51   9.917   8.570   5.966
  886   1HD1  ILE  51          1HD1      ILE  51   9.507   9.766   2.178
  887   2HD1  ILE  51          2HD1      ILE  51  11.234   9.415   2.148
  888   3HD1  ILE  51          3HD1      ILE  51  10.653  11.016   1.693
  889    H    GLY  52           H        GLY  52  14.248   9.974   5.098
  890   1HA   GLY  52          1HA       GLY  52  14.568  12.947   5.001
  891   2HA   GLY  52          2HA       GLY  52  15.846  11.900   5.617
  892    H    ALA  53           H        ALA  53  13.806  12.237   2.691
  893    HA   ALA  53           HA       ALA  53  15.672  10.854   0.972
  894   1HB   ALA  53          1HB       ALA  53  13.854  12.857  -0.208
  895   2HB   ALA  53          2HB       ALA  53  13.064  11.720   0.885
  896   3HB   ALA  53          3HB       ALA  53  13.959  11.123  -0.512
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   7.900 -21.148  20.357
    2   2H    MET   1          2H        MET   1   6.574 -21.733  21.245
    3   3H    MET   1          3H        MET   1   7.414 -20.356  21.776
    4    HA   MET   1           HA       MET   1   5.385 -19.613  20.771
    5   1HB   MET   1          1HB       MET   1   8.087 -19.140  19.751
    6   2HB   MET   1          2HB       MET   1   6.845 -18.720  18.572
    7   1HG   MET   1          1HG       MET   1   6.752 -16.754  19.717
    8   2HG   MET   1          2HG       MET   1   5.770 -17.674  20.856
    9   1HE   MET   1          1HE       MET   1   7.475 -16.435  23.828
   10   2HE   MET   1          2HE       MET   1   6.094 -17.273  23.128
   11   3HE   MET   1          3HE       MET   1   6.530 -15.668  22.546
   12    H    LYS   2           H        LYS   2   3.740 -20.703  19.753
   13    HA   LYS   2           HA       LYS   2   4.373 -22.395  17.377
   14   1HB   LYS   2          1HB       LYS   2   1.876 -22.132  19.084
   15   2HB   LYS   2          2HB       LYS   2   2.168 -23.370  17.865
   16   1HG   LYS   2          1HG       LYS   2   4.318 -23.886  19.254
   17   2HG   LYS   2          2HG       LYS   2   3.488 -23.019  20.546
   18   1HD   LYS   2          1HD       LYS   2   1.537 -24.533  20.285
   19   2HD   LYS   2          2HD       LYS   2   2.414 -25.425  19.043
   20   1HE   LYS   2          1HE       LYS   2   4.041 -25.120  21.440
   21   2HE   LYS   2          2HE       LYS   2   2.504 -25.936  21.794
   22   1HZ   LYS   2          1HZ       LYS   2   4.359 -26.622  19.574
   23   2HZ   LYS   2          2HZ       LYS   2   2.874 -27.382  19.890
   24   3HZ   LYS   2          3HZ       LYS   2   4.154 -27.520  20.998
   25    H    GLY   3           H        GLY   3   4.313 -19.460  17.151
   26   1HA   GLY   3          1HA       GLY   3   2.463 -19.263  14.910
   27   2HA   GLY   3          2HA       GLY   3   1.972 -18.274  16.285
   28    H    MET   4           H        MET   4   3.659 -18.151  13.455
   29    HA   MET   4           HA       MET   4   5.515 -16.021  14.466
   30   1HB   MET   4          1HB       MET   4   5.614 -18.093  12.292
   31   2HB   MET   4          2HB       MET   4   6.550 -16.609  12.099
   32   1HG   MET   4          1HG       MET   4   7.147 -17.282  14.684
   33   2HG   MET   4          2HG       MET   4   6.975 -18.874  13.944
   34   1HE   MET   4          1HE       MET   4  10.693 -16.875  14.222
   35   2HE   MET   4          2HE       MET   4   9.848 -18.171  15.065
   36   3HE   MET   4          3HE       MET   4   9.178 -16.541  15.071
   37    H    SER   5           H        SER   5   5.896 -14.284  12.696
   38    HA   SER   5           HA       SER   5   3.667 -13.863  10.815
   39   1HB   SER   5          1HB       SER   5   3.905 -12.588  13.493
   40   2HB   SER   5          2HB       SER   5   3.441 -11.528  12.164
   41    HG   SER   5           HG       SER   5   1.962 -13.319  13.475
   42    H    LYS   6           H        LYS   6   4.134 -12.147   9.322
   43    HA   LYS   6           HA       LYS   6   6.620 -10.581   9.671
   44   1HB   LYS   6          1HB       LYS   6   6.270 -12.973   7.936
   45   2HB   LYS   6          2HB       LYS   6   7.118 -11.606   7.214
   46   1HG   LYS   6          1HG       LYS   6   8.446 -11.588   9.481
   47   2HG   LYS   6          2HG       LYS   6   7.887 -13.258   9.601
   48   1HD   LYS   6          1HD       LYS   6   9.348 -12.116   7.201
   49   2HD   LYS   6          2HD       LYS   6  10.118 -13.053   8.482
   50   1HE   LYS   6          1HE       LYS   6   7.767 -14.455   7.550
   51   2HE   LYS   6          2HE       LYS   6   8.835 -14.081   6.182
   52   1HZ   LYS   6          1HZ       LYS   6   9.542 -16.120   7.270
   53   2HZ   LYS   6          2HZ       LYS   6   9.668 -15.310   8.759
   54   3HZ   LYS   6          3HZ       LYS   6  10.712 -14.908   7.479
   55    H    MET   7           H        MET   7   6.939  -9.408   7.318
   56    HA   MET   7           HA       MET   7   4.609  -7.751   6.960
   57   1HB   MET   7          1HB       MET   7   5.999  -6.708   5.243
   58   2HB   MET   7          2HB       MET   7   7.012  -7.115   6.627
   59   1HG   MET   7          1HG       MET   7   7.035  -9.416   5.020
   60   2HG   MET   7          2HG       MET   7   7.175  -8.073   3.887
   61   1HE   MET   7          1HE       MET   7   8.864  -6.422   3.747
   62   2HE   MET   7          2HE       MET   7  10.288  -6.211   4.761
   63   3HE   MET   7          3HE       MET   7   8.696  -5.794   5.392
   64    HA   PRO   8           HA       PRO   8   2.413  -9.953   3.847
   65   1HB   PRO   8          1HB       PRO   8   1.515  -7.944   2.220
   66   2HB   PRO   8          2HB       PRO   8   0.853  -8.241   3.840
   67   1HG   PRO   8          1HG       PRO   8   2.814  -6.192   2.944
   68   2HG   PRO   8          2HG       PRO   8   1.503  -6.061   4.126
   69   1HD   PRO   8          1HD       PRO   8   4.130  -6.361   4.807
   70   2HD   PRO   8          2HD       PRO   8   2.779  -6.897   5.829
   71    H    GLN   9           H        GLN   9   2.532 -10.616   1.572
   72    HA   GLN   9           HA       GLN   9   5.207 -10.398   0.441
   73   1HB   GLN   9          1HB       GLN   9   3.033 -12.138   0.361
   74   2HB   GLN   9          2HB       GLN   9   3.092 -11.473  -1.271
   75   1HG   GLN   9          1HG       GLN   9   5.543 -12.550   0.137
   76   2HG   GLN   9          2HG       GLN   9   4.511 -13.557  -0.879
   77   1HE2  GLN   9          1HE2      GLN   9   7.381 -12.485  -1.278
   78   2HE2  GLN   9          2HE2      GLN   9   7.334 -11.763  -2.814
   79    H    PHE  10           H        PHE  10   2.402  -8.451   0.200
   80    HA   PHE  10           HA       PHE  10   2.686  -7.601  -2.565
   81   1HB   PHE  10          1HB       PHE  10   0.573  -7.459  -1.379
   82   2HB   PHE  10          2HB       PHE  10   1.302  -6.479  -0.108
   83    HD1  PHE  10           HD1      PHE  10   1.322  -4.124  -0.272
   84    HD2  PHE  10           HD2      PHE  10   0.615  -6.508  -3.801
   85    HE1  PHE  10           HE1      PHE  10   0.808  -2.057  -1.564
   86    HE2  PHE  10           HE2      PHE  10   0.102  -4.440  -5.094
   87    HZ   PHE  10           HZ       PHE  10   0.197  -2.214  -3.975
   88    H    LEU  11           H        LEU  11   4.072  -6.600   0.514
   89    HA   LEU  11           HA       LEU  11   5.220  -4.140  -0.699
   90   1HB   LEU  11          1HB       LEU  11   5.445  -5.263   2.112
   91   2HB   LEU  11          2HB       LEU  11   5.790  -3.610   1.605
   92    HG   LEU  11           HG       LEU  11   3.068  -4.922   1.365
   93   1HD1  LEU  11          1HD1      LEU  11   2.442  -3.537   3.302
   94   2HD1  LEU  11          2HD1      LEU  11   4.099  -2.944   3.422
   95   3HD1  LEU  11          3HD1      LEU  11   3.747  -4.646   3.730
   96   1HD2  LEU  11          1HD2      LEU  11   3.513  -3.082  -0.228
   97   2HD2  LEU  11          2HD2      LEU  11   3.985  -2.039   1.113
   98   3HD2  LEU  11          3HD2      LEU  11   2.319  -2.601   0.977
   99    H    ASN  12           H        ASN  12   6.087  -7.037  -1.311
  100    HA   ASN  12           HA       ASN  12   8.723  -7.375  -0.150
  101   1HB   ASN  12          1HB       ASN  12   6.922  -8.936  -1.441
  102   2HB   ASN  12          2HB       ASN  12   8.029  -8.592  -2.771
  103   1HD2  ASN  12          1HD2      ASN  12   7.683 -10.305   0.271
  104   2HD2  ASN  12          2HD2      ASN  12   9.203 -11.060   0.241
  105    H    ARG  13           H        ARG  13   7.485  -5.470  -2.775
  106    HA   ARG  13           HA       ARG  13  10.168  -5.224  -4.037
  107   1HB   ARG  13          1HB       ARG  13   7.323  -4.718  -4.735
  108   2HB   ARG  13          2HB       ARG  13   8.507  -3.641  -5.476
  109   1HG   ARG  13          1HG       ARG  13   9.075  -6.579  -5.487
  110   2HG   ARG  13          2HG       ARG  13   7.867  -5.961  -6.614
  111   1HD   ARG  13          1HD       ARG  13   9.480  -4.394  -7.564
  112   2HD   ARG  13          2HD       ARG  13  10.696  -4.874  -6.363
  113    HE   ARG  13           HE       ARG  13  10.539  -7.198  -7.350
  114   1HH1  ARG  13          1HH1      ARG  13  11.474  -4.852  -9.262
  115   2HH1  ARG  13          2HH1      ARG  13  10.765  -5.408 -10.740
  116   1HH2  ARG  13          1HH2      ARG  13   8.739  -7.760  -9.194
  117   2HH2  ARG  13          2HH2      ARG  13   9.218  -7.055 -10.702
  118    H    TRP  14           H        TRP  14   8.611  -3.771  -1.474
  119    HA   TRP  14           HA       TRP  14   9.227  -0.972  -2.064
  120   1HB   TRP  14          1HB       TRP  14   8.254  -2.586   0.290
  121   2HB   TRP  14          2HB       TRP  14   8.563  -0.861   0.409
  122    HD1  TRP  14           HD1      TRP  14   7.062  -2.490  -2.737
  123    HE1  TRP  14           HE1      TRP  14   4.671  -1.566  -3.060
  124    HE3  TRP  14           HE3      TRP  14   6.621   0.190   1.549
  125    HZ2  TRP  14           HZ2      TRP  14   2.795   0.118  -1.650
  126    HZ3  TRP  14           HZ3      TRP  14   4.528   1.447   2.073
  127    HH2  TRP  14           HH2      TRP  14   2.618   1.417   0.473
  128    HA   PRO  15           HA       PRO  15  13.385  -1.085  -0.589
  129   1HB   PRO  15          1HB       PRO  15  13.641   1.425   0.451
  130   2HB   PRO  15          2HB       PRO  15  13.624   1.089  -1.289
  131   1HG   PRO  15          1HG       PRO  15  11.440   2.084   0.470
  132   2HG   PRO  15          2HG       PRO  15  11.859   2.560  -1.181
  133   1HD   PRO  15          1HD       PRO  15   9.797   0.883  -0.595
  134   2HD   PRO  15          2HD       PRO  15  10.709   0.803  -2.118
  135    H    ARG  16           H        ARG  16  14.663  -0.961   1.376
  136    HA   ARG  16           HA       ARG  16  13.423  -2.093   3.671
  137   1HB   ARG  16          1HB       ARG  16  15.969  -1.576   2.607
  138   2HB   ARG  16          2HB       ARG  16  15.938  -0.710   4.138
  139   1HG   ARG  16          1HG       ARG  16  14.997  -2.818   5.166
  140   2HG   ARG  16          2HG       ARG  16  15.391  -3.621   3.648
  141   1HD   ARG  16          1HD       ARG  16  17.712  -3.360   3.961
  142   2HD   ARG  16          2HD       ARG  16  17.496  -2.032   5.119
  143    HE   ARG  16           HE       ARG  16  16.263  -4.528   6.000
  144   1HH1  ARG  16          1HH1      ARG  16  19.382  -4.542   5.331
  145   2HH1  ARG  16          2HH1      ARG  16  19.995  -4.428   6.946
  146   1HH2  ARG  16          1HH2      ARG  16  16.937  -3.557   8.330
  147   2HH2  ARG  16          2HH2      ARG  16  18.611  -3.870   8.645
  148    H    GLU  17           H        GLU  17  14.509   1.185   2.942
  149    HA   GLU  17           HA       GLU  17  14.106   2.363   5.497
  150   1HB   GLU  17          1HB       GLU  17  14.557   3.146   2.720
  151   2HB   GLU  17          2HB       GLU  17  13.559   4.319   3.580
  152   1HG   GLU  17          1HG       GLU  17  15.608   3.588   5.380
  153   2HG   GLU  17          2HG       GLU  17  16.399   3.837   3.824
  154    H    VAL  18           H        VAL  18  11.880   2.423   2.673
  155    HA   VAL  18           HA       VAL  18   9.730   3.730   4.005
  156    HB   VAL  18           HB       VAL  18   9.823   1.755   1.699
  157   1HG1  VAL  18          1HG1      VAL  18   7.641   2.982   1.087
  158   2HG1  VAL  18          2HG1      VAL  18   7.610   3.518   2.767
  159   3HG1  VAL  18          3HG1      VAL  18   7.547   1.796   2.388
  160   1HG2  VAL  18          1HG2      VAL  18   9.791   3.780   0.320
  161   2HG2  VAL  18          2HG2      VAL  18  11.146   3.858   1.447
  162   3HG2  VAL  18          3HG2      VAL  18   9.680   4.789   1.763
  163    H    LEU  19           H        LEU  19  10.374   0.236   3.577
  164    HA   LEU  19           HA       LEU  19   8.011  -0.721   4.849
  165   1HB   LEU  19          1HB       LEU  19  10.808  -1.810   4.466
  166   2HB   LEU  19          2HB       LEU  19   9.500  -2.780   5.143
  167    HG   LEU  19           HG       LEU  19   9.422  -1.395   2.446
  168   1HD1  LEU  19          1HD1      LEU  19  10.195  -3.307   1.493
  169   2HD1  LEU  19          2HD1      LEU  19   9.275  -4.333   2.595
  170   3HD1  LEU  19          3HD1      LEU  19  10.829  -3.668   3.099
  171   1HD2  LEU  19          1HD2      LEU  19   7.201  -1.761   2.541
  172   2HD2  LEU  19          2HD2      LEU  19   7.374  -2.435   4.162
  173   3HD2  LEU  19          3HD2      LEU  19   7.501  -3.486   2.753
  174    H    ASP  20           H        ASP  20  11.088   0.387   6.174
  175    HA   ASP  20           HA       ASP  20  10.683  -0.679   8.837
  176   1HB   ASP  20          1HB       ASP  20  12.817   0.125   7.580
  177   2HB   ASP  20          2HB       ASP  20  12.338   1.737   8.117
  178    H    LEU  21           H        LEU  21   9.583   2.170   7.152
  179    HA   LEU  21           HA       LEU  21   8.879   3.621   9.620
  180   1HB   LEU  21          1HB       LEU  21   9.703   4.536   7.348
  181   2HB   LEU  21          2HB       LEU  21   8.065   4.226   6.774
  182    HG   LEU  21           HG       LEU  21   7.577   5.529   9.137
  183   1HD1  LEU  21          1HD1      LEU  21   9.266   6.900   9.734
  184   2HD1  LEU  21          2HD1      LEU  21   9.512   7.428   8.068
  185   3HD1  LEU  21          3HD1      LEU  21  10.297   5.960   8.654
  186   1HD2  LEU  21          1HD2      LEU  21   6.494   5.995   6.999
  187   2HD2  LEU  21          2HD2      LEU  21   7.986   6.688   6.364
  188   3HD2  LEU  21          3HD2      LEU  21   7.122   7.500   7.670
  189    H    VAL  22           H        VAL  22   7.241   1.803   7.036
  190    HA   VAL  22           HA       VAL  22   4.548   2.377   7.675
  191    HB   VAL  22           HB       VAL  22   5.749  -0.255   6.750
  192   1HG1  VAL  22          1HG1      VAL  22   3.076   1.029   6.123
  193   2HG1  VAL  22          2HG1      VAL  22   3.310  -0.206   7.361
  194   3HG1  VAL  22          3HG1      VAL  22   3.610  -0.589   5.666
  195   1HG2  VAL  22          1HG2      VAL  22   4.844   1.224   4.539
  196   2HG2  VAL  22          2HG2      VAL  22   6.525   0.907   4.969
  197   3HG2  VAL  22          3HG2      VAL  22   5.738   2.385   5.520
  198    H    ARG  23           H        ARG  23   6.672  -0.213   8.951
  199    HA   ARG  23           HA       ARG  23   4.704  -1.394  10.670
  200   1HB   ARG  23          1HB       ARG  23   6.757  -2.377  11.746
  201   2HB   ARG  23          2HB       ARG  23   6.731  -2.544   9.992
  202   1HG   ARG  23          1HG       ARG  23   8.352  -0.871   9.681
  203   2HG   ARG  23          2HG       ARG  23   8.075  -0.175  11.276
  204   1HD   ARG  23          1HD       ARG  23  10.207  -1.474  11.188
  205   2HD   ARG  23          2HD       ARG  23   9.053  -2.190  12.332
  206    HE   ARG  23           HE       ARG  23   8.726  -3.240   9.639
  207   1HH1  ARG  23          1HH1      ARG  23   8.526  -4.635  12.391
  208   2HH1  ARG  23          2HH1      ARG  23   9.834  -5.764  12.263
  209   1HH2  ARG  23          1HH2      ARG  23  11.281  -4.180   9.538
  210   2HH2  ARG  23          2HH2      ARG  23  11.395  -5.505  10.646
  211    H    LYS  24           H        LYS  24   6.877   1.363  11.099
  212    HA   LYS  24           HA       LYS  24   6.386   1.548  13.989
  213   1HB   LYS  24          1HB       LYS  24   8.379   2.296  12.313
  214   2HB   LYS  24          2HB       LYS  24   7.482   3.812  12.402
  215   1HG   LYS  24          1HG       LYS  24   7.594   2.827  15.044
  216   2HG   LYS  24          2HG       LYS  24   9.213   2.611  14.381
  217   1HD   LYS  24          1HD       LYS  24   8.207   5.177  13.559
  218   2HD   LYS  24          2HD       LYS  24   8.027   5.023  15.307
  219   1HE   LYS  24          1HE       LYS  24  10.612   4.341  13.870
  220   2HE   LYS  24          2HE       LYS  24  10.279   5.945  14.550
  221   1HZ   LYS  24          1HZ       LYS  24  11.395   4.404  16.131
  222   2HZ   LYS  24          2HZ       LYS  24  10.018   3.411  16.077
  223   3HZ   LYS  24          3HZ       LYS  24   9.907   4.993  16.689
  224    H    VAL  25           H        VAL  25   4.698   2.481  11.169
  225    HA   VAL  25           HA       VAL  25   3.381   4.803  12.489
  226    HB   VAL  25           HB       VAL  25   3.393   3.633   9.690
  227   1HG1  VAL  25          1HG1      VAL  25   2.111   5.570   8.987
  228   2HG1  VAL  25          2HG1      VAL  25   2.123   6.221  10.627
  229   3HG1  VAL  25          3HG1      VAL  25   1.221   4.748  10.269
  230   1HG2  VAL  25          1HG2      VAL  25   4.871   5.361   9.131
  231   2HG2  VAL  25          2HG2      VAL  25   5.413   4.915  10.750
  232   3HG2  VAL  25          3HG2      VAL  25   4.403   6.341  10.520
  233    H    ALA  26           H        ALA  26   2.768   1.504  11.426
  234    HA   ALA  26           HA       ALA  26  -0.132   1.663  11.644
  235   1HB   ALA  26          1HB       ALA  26   0.854  -0.993  11.933
  236   2HB   ALA  26          2HB       ALA  26   1.932  -0.159  10.815
  237   3HB   ALA  26          3HB       ALA  26   0.203  -0.241  10.477
  238    H    GLU  27           H        GLU  27   2.546   0.856  13.791
  239    HA   GLU  27           HA       GLU  27   0.814  -0.228  15.890
  240   1HB   GLU  27          1HB       GLU  27   2.963  -0.336  17.112
  241   2HB   GLU  27          2HB       GLU  27   3.132  -0.988  15.483
  242   1HG   GLU  27          1HG       GLU  27   4.292   0.908  14.709
  243   2HG   GLU  27          2HG       GLU  27   3.718   1.915  16.037
  244    H    GLU  28           H        GLU  28   1.723   2.922  14.854
  245    HA   GLU  28           HA       GLU  28   1.565   4.144  17.536
  246   1HB   GLU  28          1HB       GLU  28   1.942   5.101  14.694
  247   2HB   GLU  28          2HB       GLU  28   1.767   6.234  16.034
  248   1HG   GLU  28          1HG       GLU  28   3.832   4.015  15.952
  249   2HG   GLU  28          2HG       GLU  28   4.160   5.686  15.488
  250    H    ASN  29           H        ASN  29  -0.300   4.450  14.480
  251    HA   ASN  29           HA       ASN  29  -2.420   6.019  15.554
  252   1HB   ASN  29          1HB       ASN  29  -2.066   4.135  13.226
  253   2HB   ASN  29          2HB       ASN  29  -3.624   4.912  13.517
  254   1HD2  ASN  29          1HD2      ASN  29  -1.865   5.462  11.218
  255   2HD2  ASN  29          2HD2      ASN  29  -1.419   7.098  11.327
  256    H    GLY  30           H        GLY  30  -1.749   2.601  15.819
  257   1HA   GLY  30          1HA       GLY  30  -2.817   1.219  17.497
  258   2HA   GLY  30          2HA       GLY  30  -4.209   2.301  17.459
  259    H    ARG  31           H        ARG  31  -2.582   0.925  14.638
  260    HA   ARG  31           HA       ARG  31  -4.924  -0.868  14.158
  261   1HB   ARG  31          1HB       ARG  31  -3.757   1.067  12.131
  262   2HB   ARG  31          2HB       ARG  31  -5.191   0.064  11.931
  263   1HG   ARG  31          1HG       ARG  31  -6.326   1.296  13.731
  264   2HG   ARG  31          2HG       ARG  31  -4.885   2.286  13.973
  265   1HD   ARG  31          1HD       ARG  31  -5.133   2.844  11.428
  266   2HD   ARG  31          2HD       ARG  31  -6.805   2.291  11.649
  267    HE   ARG  31           HE       ARG  31  -5.647   4.715  12.801
  268   1HH1  ARG  31          1HH1      ARG  31  -8.516   4.268  11.874
  269   2HH1  ARG  31          2HH1      ARG  31  -9.365   4.298  13.384
  270   1HH2  ARG  31          1HH2      ARG  31  -6.504   3.871  15.300
  271   2HH2  ARG  31          2HH2      ARG  31  -8.225   4.074  15.324
  272    H    SER  32           H        SER  32  -4.055  -1.469  11.481
  273    HA   SER  32           HA       SER  32  -1.518  -2.956  12.059
  274   1HB   SER  32          1HB       SER  32  -2.574  -4.365  10.087
  275   2HB   SER  32          2HB       SER  32  -3.199  -4.550  11.723
  276    HG   SER  32           HG       SER  32  -4.846  -4.200  10.141
  277    H    VAL  33           H        VAL  33  -0.289  -3.414   9.907
  278    HA   VAL  33           HA       VAL  33   0.296  -0.889   8.632
  279    HB   VAL  33           HB       VAL  33   1.106  -3.772   8.171
  280   1HG1  VAL  33          1HG1      VAL  33   1.701  -1.301   6.683
  281   2HG1  VAL  33          2HG1      VAL  33   1.877  -2.984   6.187
  282   3HG1  VAL  33          3HG1      VAL  33   3.125  -2.217   7.170
  283   1HG2  VAL  33          1HG2      VAL  33   2.871  -3.329   9.619
  284   2HG2  VAL  33          2HG2      VAL  33   1.610  -2.321  10.331
  285   3HG2  VAL  33          3HG2      VAL  33   2.838  -1.595   9.292
  286    H    ASN  34           H        ASN  34  -1.838  -3.558   7.887
  287    HA   ASN  34           HA       ASN  34  -2.083  -3.065   5.034
  288   1HB   ASN  34          1HB       ASN  34  -2.752  -5.086   6.602
  289   2HB   ASN  34          2HB       ASN  34  -4.259  -4.189   6.787
  290   1HD2  ASN  34          1HD2      ASN  34  -4.715  -6.509   5.545
  291   2HD2  ASN  34          2HD2      ASN  34  -4.845  -6.340   3.861
  292    H    SER  35           H        SER  35  -3.558  -1.742   7.941
  293    HA   SER  35           HA       SER  35  -5.588  -0.235   6.416
  294   1HB   SER  35          1HB       SER  35  -5.075  -1.101   9.129
  295   2HB   SER  35          2HB       SER  35  -5.396   0.630   9.107
  296    HG   SER  35           HG       SER  35  -7.395   0.233   8.588
  297    H    GLU  36           H        GLU  36  -2.438   0.256   7.923
  298    HA   GLU  36           HA       GLU  36  -2.419   3.118   7.980
  299   1HB   GLU  36          1HB       GLU  36  -0.868   1.381   9.059
  300   2HB   GLU  36          2HB       GLU  36  -0.091   1.246   7.482
  301   1HG   GLU  36          1HG       GLU  36  -0.165   3.944   7.775
  302   2HG   GLU  36          2HG       GLU  36   0.020   3.438   9.453
  303    H    ILE  37           H        ILE  37  -0.874   0.888   5.636
  304    HA   ILE  37           HA       ILE  37  -0.250   2.860   3.669
  305    HB   ILE  37           HB       ILE  37  -0.853  -0.114   3.523
  306   1HG1  ILE  37          1HG1      ILE  37   1.041   0.677   5.005
  307   2HG1  ILE  37          2HG1      ILE  37   1.532  -0.411   3.707
  308   1HG2  ILE  37          1HG2      ILE  37  -0.690   0.054   1.288
  309   2HG2  ILE  37          2HG2      ILE  37   0.962   0.651   1.489
  310   3HG2  ILE  37          3HG2      ILE  37  -0.387   1.788   1.405
  311   1HD1  ILE  37          1HD1      ILE  37   1.559   2.501   3.089
  312   2HD1  ILE  37          2HD1      ILE  37   2.663   1.229   2.572
  313   3HD1  ILE  37          3HD1      ILE  37   2.801   1.913   4.193
  314    H    TYR  38           H        TYR  38  -3.239   1.263   4.511
  315    HA   TYR  38           HA       TYR  38  -4.626   1.687   2.005
  316   1HB   TYR  38          1HB       TYR  38  -5.297  -0.038   3.546
  317   2HB   TYR  38          2HB       TYR  38  -5.416   1.112   4.874
  318    HD1  TYR  38           HD1      TYR  38  -7.621   1.442   5.517
  319    HD2  TYR  38           HD2      TYR  38  -6.677   1.075   1.331
  320    HE1  TYR  38           HE1      TYR  38 -10.010   1.871   4.946
  321    HE2  TYR  38           HE2      TYR  38  -9.062   1.503   0.747
  322    HH   TYR  38           HH       TYR  38 -11.260   2.802   2.871
  323    H    GLN  39           H        GLN  39  -4.205   3.549   4.992
  324    HA   GLN  39           HA       GLN  39  -6.207   5.568   4.312
  325   1HB   GLN  39          1HB       GLN  39  -4.992   4.719   6.577
  326   2HB   GLN  39          2HB       GLN  39  -3.970   6.108   6.208
  327   1HG   GLN  39          1HG       GLN  39  -5.559   7.379   7.189
  328   2HG   GLN  39          2HG       GLN  39  -6.556   7.051   5.772
  329   1HE2  GLN  39          1HE2      GLN  39  -8.573   6.242   6.334
  330   2HE2  GLN  39          2HE2      GLN  39  -8.894   5.261   7.682
  331    H    ARG  40           H        ARG  40  -2.635   5.425   4.296
  332    HA   ARG  40           HA       ARG  40  -2.150   8.055   3.299
  333   1HB   ARG  40          1HB       ARG  40  -0.593   5.489   2.831
  334   2HB   ARG  40          2HB       ARG  40   0.058   7.127   2.800
  335   1HG   ARG  40          1HG       ARG  40  -1.000   7.199   5.249
  336   2HG   ARG  40          2HG       ARG  40  -0.761   5.455   5.137
  337   1HD   ARG  40          1HD       ARG  40   1.590   5.684   4.843
  338   2HD   ARG  40          2HD       ARG  40   1.454   7.414   4.471
  339    HE   ARG  40           HE       ARG  40   1.324   6.220   7.156
  340   1HH1  ARG  40          1HH1      ARG  40   2.464   8.909   5.895
  341   2HH1  ARG  40          2HH1      ARG  40   1.541  10.047   6.816
  342   1HH2  ARG  40          1HH2      ARG  40  -0.687   7.672   8.012
  343   2HH2  ARG  40          2HH2      ARG  40  -0.243   9.346   8.017
  344    H    VAL  41           H        VAL  41  -3.169   5.098   1.739
  345    HA   VAL  41           HA       VAL  41  -2.613   6.089  -0.986
  346    HB   VAL  41           HB       VAL  41  -3.843   3.606   0.245
  347   1HG1  VAL  41          1HG1      VAL  41  -3.891   2.620  -1.966
  348   2HG1  VAL  41          2HG1      VAL  41  -3.216   4.084  -2.682
  349   3HG1  VAL  41          3HG1      VAL  41  -4.845   4.102  -2.000
  350   1HG2  VAL  41          1HG2      VAL  41  -1.782   2.569  -0.263
  351   2HG2  VAL  41          2HG2      VAL  41  -1.318   4.159   0.344
  352   3HG2  VAL  41          3HG2      VAL  41  -1.320   3.843  -1.392
  353    H    MET  42           H        MET  42  -5.324   5.743   1.238
  354    HA   MET  42           HA       MET  42  -7.469   6.085  -0.628
  355   1HB   MET  42          1HB       MET  42  -7.046   5.729   2.136
  356   2HB   MET  42          2HB       MET  42  -7.953   7.235   1.991
  357   1HG   MET  42          1HG       MET  42  -8.795   4.839   0.392
  358   2HG   MET  42          2HG       MET  42  -9.248   4.952   2.093
  359   1HE   MET  42          1HE       MET  42 -10.200   7.695   2.940
  360   2HE   MET  42          2HE       MET  42 -10.890   6.077   3.035
  361   3HE   MET  42          3HE       MET  42 -11.870   7.411   2.433
  362    H    GLU  43           H        GLU  43  -6.347   8.523   1.748
  363    HA   GLU  43           HA       GLU  43  -7.582  10.756   0.538
  364   1HB   GLU  43          1HB       GLU  43  -5.947  12.029   1.900
  365   2HB   GLU  43          2HB       GLU  43  -6.610  10.668   2.806
  366   1HG   GLU  43          1HG       GLU  43  -4.606   9.319   2.139
  367   2HG   GLU  43          2HG       GLU  43  -3.927  10.769   1.398
  368    H    SER  44           H        SER  44  -4.730   9.010  -0.444
  369    HA   SER  44           HA       SER  44  -3.327  11.032  -1.879
  370   1HB   SER  44          1HB       SER  44  -2.595   8.685  -1.310
  371   2HB   SER  44          2HB       SER  44  -3.669   8.098  -2.577
  372    HG   SER  44           HG       SER  44  -1.646  10.043  -2.992
  373    H    PHE  45           H        PHE  45  -5.728   8.659  -3.105
  374    HA   PHE  45           HA       PHE  45  -5.912   9.689  -5.751
  375   1HB   PHE  45          1HB       PHE  45  -7.787   8.195  -3.904
  376   2HB   PHE  45          2HB       PHE  45  -8.187   8.513  -5.590
  377    HD1  PHE  45           HD1      PHE  45  -7.327   5.889  -3.755
  378    HD2  PHE  45           HD2      PHE  45  -5.596   8.207  -6.959
  379    HE1  PHE  45           HE1      PHE  45  -5.994   3.909  -4.466
  380    HE2  PHE  45           HE2      PHE  45  -4.262   6.225  -7.671
  381    HZ   PHE  45           HZ       PHE  45  -4.468   4.075  -6.427
  382    H    LYS  46           H        LYS  46  -7.443  10.675  -2.735
  383    HA   LYS  46           HA       LYS  46  -9.497  12.347  -3.874
  384   1HB   LYS  46          1HB       LYS  46  -9.537  11.456  -1.594
  385   2HB   LYS  46          2HB       LYS  46  -8.064  12.340  -1.198
  386   1HG   LYS  46          1HG       LYS  46  -9.169  14.455  -1.423
  387   2HG   LYS  46          2HG       LYS  46 -10.590  13.703  -2.136
  388   1HD   LYS  46          1HD       LYS  46  -9.772  12.711   0.544
  389   2HD   LYS  46          2HD       LYS  46 -10.450  14.338   0.479
  390   1HE   LYS  46          1HE       LYS  46 -12.540  13.551   0.078
  391   2HE   LYS  46          2HE       LYS  46 -11.960  12.399  -1.139
  392   1HZ   LYS  46          1HZ       LYS  46 -12.840  11.464   1.067
  393   2HZ   LYS  46          2HZ       LYS  46 -11.370  12.005   1.731
  394   3HZ   LYS  46          3HZ       LYS  46 -11.370  10.858   0.477
  395    H    LYS  47           H        LYS  47  -6.099  12.885  -3.061
  396    HA   LYS  47           HA       LYS  47  -6.133  15.757  -3.136
  397   1HB   LYS  47          1HB       LYS  47  -4.271  13.547  -2.934
  398   2HB   LYS  47          2HB       LYS  47  -3.623  14.793  -4.001
  399   1HG   LYS  47          1HG       LYS  47  -4.902  15.820  -1.544
  400   2HG   LYS  47          2HG       LYS  47  -3.440  14.870  -1.274
  401   1HD   LYS  47          1HD       LYS  47  -2.086  16.396  -2.325
  402   2HD   LYS  47          2HD       LYS  47  -3.338  16.871  -3.473
  403   1HE   LYS  47          1HE       LYS  47  -4.019  17.564  -0.701
  404   2HE   LYS  47          2HE       LYS  47  -2.559  18.382  -1.293
  405   1HZ   LYS  47          1HZ       LYS  47  -3.812  18.883  -3.359
  406   2HZ   LYS  47          2HZ       LYS  47  -4.442  19.656  -1.984
  407   3HZ   LYS  47          3HZ       LYS  47  -5.215  18.282  -2.620
  408    H    GLU  48           H        GLU  48  -5.920  13.292  -5.649
  409    HA   GLU  48           HA       GLU  48  -5.306  15.332  -7.720
  410   1HB   GLU  48          1HB       GLU  48  -4.183  13.085  -7.573
  411   2HB   GLU  48          2HB       GLU  48  -5.742  12.336  -7.924
  412   1HG   GLU  48          1HG       GLU  48  -5.800  13.161 -10.108
  413   2HG   GLU  48          2HG       GLU  48  -4.683  14.477  -9.745
  414    H    GLY  49           H        GLY  49  -8.022  13.647  -6.377
  415   1HA   GLY  49          1HA       GLY  49 -10.310  14.107  -6.854
  416   2HA   GLY  49          2HA       GLY  49  -9.806  14.985  -8.298
  417    H    ARG  50           H        ARG  50  -8.375  11.876  -7.889
  418    HA   ARG  50           HA       ARG  50  -9.345  10.847 -10.355
  419   1HB   ARG  50          1HB       ARG  50  -7.370  10.191  -8.776
  420   2HB   ARG  50          2HB       ARG  50  -8.555   9.148  -7.992
  421   1HG   ARG  50          1HG       ARG  50  -7.465   7.815  -9.665
  422   2HG   ARG  50          2HG       ARG  50  -9.072   8.193 -10.288
  423   1HD   ARG  50          1HD       ARG  50  -7.883   8.833 -12.154
  424   2HD   ARG  50          2HD       ARG  50  -7.656  10.333 -11.230
  425    HE   ARG  50           HE       ARG  50  -5.687   8.446 -10.388
  426   1HH1  ARG  50          1HH1      ARG  50  -6.132  11.216 -12.191
  427   2HH1  ARG  50          2HH1      ARG  50  -4.734  11.012 -13.195
  428   1HH2  ARG  50          1HH2      ARG  50  -4.072   7.797 -12.074
  429   2HH2  ARG  50          2HH2      ARG  50  -3.568   9.075 -13.127
  430    H    ILE  51           H        ILE  51 -10.620  10.601  -7.061
  431    HA   ILE  51           HA       ILE  51 -12.750   8.730  -7.906
  432    HB   ILE  51           HB       ILE  51 -12.100  10.106  -5.276
  433   1HG1  ILE  51          1HG1      ILE  51 -11.630   7.203  -5.910
  434   2HG1  ILE  51          2HG1      ILE  51 -10.450   8.410  -6.412
  435   1HG2  ILE  51          1HG2      ILE  51 -14.490   9.212  -5.708
  436   2HG2  ILE  51          2HG2      ILE  51 -13.670   8.667  -4.248
  437   3HG2  ILE  51          3HG2      ILE  51 -13.760   7.611  -5.658
  438   1HD1  ILE  51          1HD1      ILE  51  -9.814   8.876  -4.260
  439   2HD1  ILE  51          2HD1      ILE  51 -10.390   7.234  -3.981
  440   3HD1  ILE  51          3HD1      ILE  51 -11.430   8.612  -3.614
  441    H    GLY  52           H        GLY  52 -12.750  11.843  -6.119
  442   1HA   GLY  52          1HA       GLY  52 -14.070  13.697  -7.317
  443   2HA   GLY  52          2HA       GLY  52 -15.340  12.480  -7.476
  444    H    ALA  53           H        ALA  53 -14.990  11.288  -4.881
  445    HA   ALA  53           HA       ALA  53 -15.430  13.489  -2.940
  446   1HB   ALA  53          1HB       ALA  53 -17.520  12.366  -4.394
  447   2HB   ALA  53          2HB       ALA  53 -17.690  13.234  -2.867
  448   3HB   ALA  53          3HB       ALA  53 -17.560  11.475  -2.872
  449   1H    MET   1          1H        MET   1  -6.343 -20.938 -21.592
  450   2H    MET   1          2H        MET   1  -4.970 -21.376 -22.493
  451   3H    MET   1          3H        MET   1  -5.920 -20.053 -22.976
  452    HA   MET   1           HA       MET   1  -3.965 -19.181 -21.930
  453   1HB   MET   1          1HB       MET   1  -6.700 -18.982 -20.909
  454   2HB   MET   1          2HB       MET   1  -5.502 -18.503 -19.707
  455   1HG   MET   1          1HG       MET   1  -5.577 -16.492 -20.773
  456   2HG   MET   1          2HG       MET   1  -4.514 -17.279 -21.940
  457   1HE   MET   1          1HE       MET   1  -6.309 -16.081 -24.877
  458   2HE   MET   1          2HE       MET   1  -4.862 -16.820 -24.197
  459   3HE   MET   1          3HE       MET   1  -5.440 -15.282 -23.560
  460    H    LYS   2           H        LYS   2  -2.234 -20.168 -20.945
  461    HA   LYS   2           HA       LYS   2  -2.727 -21.998 -18.639
  462   1HB   LYS   2          1HB       LYS   2  -0.254 -21.449 -20.317
  463   2HB   LYS   2          2HB       LYS   2  -0.442 -22.756 -19.147
  464   1HG   LYS   2          1HG       LYS   2  -2.536 -23.400 -20.571
  465   2HG   LYS   2          2HG       LYS   2  -1.776 -22.416 -21.822
  466   1HD   LYS   2          1HD       LYS   2   0.295 -23.767 -21.604
  467   2HD   LYS   2          2HD       LYS   2  -0.511 -24.779 -20.405
  468   1HE   LYS   2          1HE       LYS   2  -2.146 -24.518 -22.801
  469   2HE   LYS   2          2HE       LYS   2  -0.545 -25.186 -23.177
  470   1HZ   LYS   2          1HZ       LYS   2  -2.342 -26.114 -20.998
  471   2HZ   LYS   2          2HZ       LYS   2  -0.796 -26.732 -21.333
  472   3HZ   LYS   2          3HZ       LYS   2  -2.056 -26.935 -22.454
  473    H    GLY   3           H        GLY   3  -2.925 -19.076 -18.299
  474   1HA   GLY   3          1HA       GLY   3  -1.106 -18.807 -16.038
  475   2HA   GLY   3          2HA       GLY   3  -0.695 -17.728 -17.371
  476    H    MET   4           H        MET   4  -2.400 -17.861 -14.552
  477    HA   MET   4           HA       MET   4  -4.428 -15.858 -15.492
  478   1HB   MET   4          1HB       MET   4  -4.349 -18.014 -13.402
  479   2HB   MET   4          2HB       MET   4  -5.410 -16.627 -13.153
  480   1HG   MET   4          1HG       MET   4  -5.942 -17.246 -15.767
  481   2HG   MET   4          2HG       MET   4  -5.633 -18.845 -15.089
  482   1HE   MET   4          1HE       MET   4  -9.509 -17.169 -15.317
  483   2HE   MET   4          2HE       MET   4  -8.548 -18.348 -16.205
  484   3HE   MET   4          3HE       MET   4  -8.026 -16.668 -16.139
  485    H    SER   5           H        SER   5  -4.958 -14.228 -13.659
  486    HA   SER   5           HA       SER   5  -2.782 -13.693 -11.749
  487   1HB   SER   5          1HB       SER   5  -3.119 -12.341 -14.377
  488   2HB   SER   5          2HB       SER   5  -2.753 -11.296 -13.006
  489    HG   SER   5           HG       SER   5  -1.119 -12.897 -14.374
  490    H    LYS   6           H        LYS   6  -3.400 -12.077 -10.198
  491    HA   LYS   6           HA       LYS   6  -6.011 -10.724 -10.499
  492   1HB   LYS   6          1HB       LYS   6  -5.459 -13.143  -8.859
  493   2HB   LYS   6          2HB       LYS   6  -6.424 -11.885  -8.085
  494   1HG   LYS   6          1HG       LYS   6  -7.744 -11.893 -10.360
  495   2HG   LYS   6          2HG       LYS   6  -7.042 -13.502 -10.540
  496   1HD   LYS   6          1HD       LYS   6  -8.600 -12.585  -8.107
  497   2HD   LYS   6          2HD       LYS   6  -9.285 -13.535  -9.427
  498   1HE   LYS   6          1HE       LYS   6  -6.824 -14.764  -8.537
  499   2HE   LYS   6          2HE       LYS   6  -7.923 -14.536  -7.161
  500   1HZ   LYS   6          1HZ       LYS   6  -8.448 -16.584  -8.333
  501   2HZ   LYS   6          2HZ       LYS   6  -8.643 -15.730  -9.788
  502   3HZ   LYS   6          3HZ       LYS   6  -9.717 -15.471  -8.498
  503    H    MET   7           H        MET   7  -6.436  -9.676  -8.105
  504    HA   MET   7           HA       MET   7  -4.257  -7.840  -7.666
  505   1HB   MET   7          1HB       MET   7  -5.739  -6.988  -5.922
  506   2HB   MET   7          2HB       MET   7  -6.707  -7.429  -7.328
  507   1HG   MET   7          1HG       MET   7  -6.539  -9.783  -5.810
  508   2HG   MET   7          2HG       MET   7  -6.798  -8.502  -4.627
  509   1HE   MET   7          1HE       MET   7  -8.617  -7.004  -4.441
  510   2HE   MET   7          2HE       MET   7 -10.050  -6.881  -5.448
  511   3HE   MET   7          3HE       MET   7  -8.510  -6.303  -6.062
  512    HA   PRO   8           HA       PRO   8  -1.890  -9.964  -4.625
  513   1HB   PRO   8          1HB       PRO   8  -1.176  -7.949  -2.917
  514   2HB   PRO   8          2HB       PRO   8  -0.486  -8.126  -4.543
  515   1HG   PRO   8          1HG       PRO   8  -2.618  -6.289  -3.584
  516   2HG   PRO   8          2HG       PRO   8  -1.319  -6.001  -4.751
  517   1HD   PRO   8          1HD       PRO   8  -3.909  -6.500  -5.458
  518   2HD   PRO   8          2HD       PRO   8  -2.514  -6.877  -6.491
  519    H    GLN   9           H        GLN   9  -1.958 -10.722  -2.382
  520    HA   GLN   9           HA       GLN   9  -4.644 -10.779  -1.259
  521   1HB   GLN   9          1HB       GLN   9  -2.326 -12.324  -1.230
  522   2HB   GLN   9          2HB       GLN   9  -2.452 -11.731   0.427
  523   1HG   GLN   9          1HG       GLN   9  -4.793 -12.958  -1.045
  524   2HG   GLN   9          2HG       GLN   9  -3.683 -13.914  -0.060
  525   1HE2  GLN   9          1HE2      GLN   9  -6.634 -13.106   0.362
  526   2HE2  GLN   9          2HE2      GLN   9  -6.653 -12.443   1.925
  527    H    PHE  10           H        PHE  10  -2.019  -8.607  -0.927
  528    HA   PHE  10           HA       PHE  10  -2.384  -7.894   1.866
  529   1HB   PHE  10          1HB       PHE  10  -0.289  -7.524   0.701
  530   2HB   PHE  10          2HB       PHE  10  -1.094  -6.562  -0.538
  531    HD1  PHE  10           HD1      PHE  10  -1.319  -4.227  -0.283
  532    HD2  PHE  10           HD2      PHE  10  -0.421  -6.675   3.156
  533    HE1  PHE  10           HE1      PHE  10  -0.990  -2.175   1.090
  534    HE2  PHE  10           HE2      PHE  10  -0.092  -4.622   4.531
  535    HZ   PHE  10           HZ       PHE  10  -0.377  -2.371   3.498
  536    H    LEU  11           H        LEU  11  -3.841  -6.895  -1.181
  537    HA   LEU  11           HA       LEU  11  -5.202  -4.591   0.117
  538   1HB   LEU  11          1HB       LEU  11  -5.318  -5.623  -2.736
  539   2HB   LEU  11          2HB       LEU  11  -5.808  -4.027  -2.170
  540    HG   LEU  11           HG       LEU  11  -2.983  -5.107  -1.959
  541   1HD1  LEU  11          1HD1      LEU  11  -2.472  -3.597  -3.837
  542   2HD1  LEU  11          2HD1      LEU  11  -4.175  -3.147  -3.946
  543   3HD1  LEU  11          3HD1      LEU  11  -3.673  -4.798  -4.317
  544   1HD2  LEU  11          1HD2      LEU  11  -3.591  -3.376  -0.299
  545   2HD2  LEU  11          2HD2      LEU  11  -4.146  -2.324  -1.602
  546   3HD2  LEU  11          3HD2      LEU  11  -2.438  -2.745  -1.476
  547    H    ASN  12           H        ASN  12  -5.820  -7.577   0.610
  548    HA   ASN  12           HA       ASN  12  -8.415  -8.094  -0.577
  549   1HB   ASN  12          1HB       ASN  12  -6.488  -9.541   0.663
  550   2HB   ASN  12          2HB       ASN  12  -7.624  -9.348   1.998
  551   1HD2  ASN  12          1HD2      ASN  12  -7.119 -10.906  -1.106
  552   2HD2  ASN  12          2HD2      ASN  12  -8.567 -11.791  -1.113
  553    H    ARG  13           H        ARG  13  -7.352  -6.194   2.129
  554    HA   ARG  13           HA       ARG  13 -10.040  -6.229   3.383
  555   1HB   ARG  13          1HB       ARG  13  -7.259  -5.512   4.116
  556   2HB   ARG  13          2HB       ARG  13  -8.531  -4.568   4.891
  557   1HG   ARG  13          1HG       ARG  13  -8.847  -7.540   4.786
  558   2HG   ARG  13          2HG       ARG  13  -7.701  -6.865   5.945
  559   1HD   ARG  13          1HD       ARG  13  -9.448  -5.477   6.941
  560   2HD   ARG  13          2HD       ARG  13 -10.610  -6.014   5.712
  561    HE   ARG  13           HE       ARG  13 -10.260  -8.351   6.614
  562   1HH1  ARG  13          1HH1      ARG  13 -11.390  -6.169   8.611
  563   2HH1  ARG  13          2HH1      ARG  13 -10.640  -6.719  10.070
  564   1HH2  ARG  13          1HH2      ARG  13  -8.423  -8.826   8.444
  565   2HH2  ARG  13          2HH2      ARG  13  -8.962  -8.225   9.976
  566    H    TRP  14           H        TRP  14  -8.615  -4.553   0.888
  567    HA   TRP  14           HA       TRP  14  -9.467  -1.841   1.580
  568   1HB   TRP  14          1HB       TRP  14  -8.356  -3.277  -0.828
  569   2HB   TRP  14          2HB       TRP  14  -8.814  -1.581  -0.885
  570    HD1  TRP  14           HD1      TRP  14  -7.184  -3.187   2.206
  571    HE1  TRP  14           HE1      TRP  14  -4.885  -2.071   2.577
  572    HE3  TRP  14           HE3      TRP  14  -6.965  -0.325  -1.978
  573    HZ2  TRP  14           HZ2      TRP  14  -3.157  -0.181   1.240
  574    HZ3  TRP  14           HZ3      TRP  14  -4.986   1.128  -2.441
  575    HH2  TRP  14           HH2      TRP  14  -3.089   1.205  -0.831
  576    HA   PRO  15           HA       PRO  15 -13.590  -2.241   0.080
  577   1HB   PRO  15          1HB       PRO  15 -14.050   0.283  -0.857
  578   2HB   PRO  15          2HB       PRO  15 -14.010  -0.125   0.868
  579   1HG   PRO  15          1HG       PRO  15 -11.920   1.123  -0.832
  580   2HG   PRO  15          2HG       PRO  15 -12.370   1.487   0.838
  581   1HD   PRO  15          1HD       PRO  15 -10.180   0.014   0.177
  582   2HD   PRO  15          2HD       PRO  15 -11.080  -0.205   1.697
  583    H    ARG  16           H        ARG  16 -14.870  -2.156  -1.888
  584    HA   ARG  16           HA       ARG  16 -13.530  -3.091  -4.215
  585   1HB   ARG  16          1HB       ARG  16 -16.110  -2.847  -3.148
  586   2HB   ARG  16          2HB       ARG  16 -16.160  -1.909  -4.636
  587   1HG   ARG  16          1HG       ARG  16 -15.040  -3.873  -5.762
  588   2HG   ARG  16          2HG       ARG  16 -15.350  -4.781  -4.286
  589   1HD   ARG  16          1HD       ARG  16 -17.690  -4.706  -4.588
  590   2HD   ARG  16          2HD       ARG  16 -17.590  -3.320  -5.693
  591    HE   ARG  16           HE       ARG  16 -16.150  -5.668  -6.661
  592   1HH1  ARG  16          1HH1      ARG  16 -19.250  -5.975  -6.013
  593   2HH1  ARG  16          2HH1      ARG  16 -19.870  -5.851  -7.627
  594   1HH2  ARG  16          1HH2      ARG  16 -16.890  -4.665  -8.956
  595   2HH2  ARG  16          2HH2      ARG  16 -18.530  -5.111  -9.293
  596    H    GLU  17           H        GLU  17 -14.890   0.052  -3.370
  597    HA   GLU  17           HA       GLU  17 -14.590   1.353  -5.879
  598   1HB   GLU  17          1HB       GLU  17 -15.120   1.987  -3.081
  599   2HB   GLU  17          2HB       GLU  17 -14.220   3.274  -3.884
  600   1HG   GLU  17          1HG       GLU  17 -16.190   2.442  -5.730
  601   2HG   GLU  17          2HG       GLU  17 -17.010   2.562  -4.172
  602    H    VAL  18           H        VAL  18 -12.390   1.502  -3.039
  603    HA   VAL  18           HA       VAL  18 -10.360   3.036  -4.308
  604    HB   VAL  18           HB       VAL  18 -10.280   0.976  -2.079
  605   1HG1  VAL  18          1HG1      VAL  18  -8.222   2.357  -1.408
  606   2HG1  VAL  18          2HG1      VAL  18  -8.232   2.962  -3.064
  607   3HG1  VAL  18          3HG1      VAL  18  -8.023   1.238  -2.755
  608   1HG2  VAL  18          1HG2      VAL  18 -10.430   2.943  -0.629
  609   2HG2  VAL  18          2HG2      VAL  18 -11.780   2.949  -1.763
  610   3HG2  VAL  18          3HG2      VAL  18 -10.400   4.011  -2.032
  611    H    LEU  19           H        LEU  19 -10.690  -0.515  -4.019
  612    HA   LEU  19           HA       LEU  19  -8.260  -1.215  -5.313
  613   1HB   LEU  19          1HB       LEU  19 -10.950  -2.551  -4.988
  614   2HB   LEU  19          2HB       LEU  19  -9.566  -3.380  -5.693
  615    HG   LEU  19           HG       LEU  19  -9.616  -2.098  -2.945
  616   1HD1  LEU  19          1HD1      LEU  19 -10.220  -4.105  -2.075
  617   2HD1  LEU  19          2HD1      LEU  19  -9.217  -5.004  -3.206
  618   3HD1  LEU  19          3HD1      LEU  19 -10.810  -4.455  -3.698
  619   1HD2  LEU  19          1HD2      LEU  19  -7.372  -2.267  -3.041
  620   2HD2  LEU  19          2HD2      LEU  19  -7.479  -2.891  -4.688
  621   3HD2  LEU  19          3HD2      LEU  19  -7.521  -4.003  -3.318
  622    H    ASP  20           H        ASP  20 -11.410  -0.322  -6.614
  623    HA   ASP  20           HA       ASP  20 -10.910  -1.251  -9.313
  624   1HB   ASP  20          1HB       ASP  20 -13.110  -0.685  -8.040
  625   2HB   ASP  20          2HB       ASP  20 -12.770   0.982  -8.510
  626    H    LEU  21           H        LEU  21 -10.060   1.615  -7.514
  627    HA   LEU  21           HA       LEU  21  -9.483   3.216  -9.919
  628   1HB   LEU  21          1HB       LEU  21 -10.390   3.968  -7.621
  629   2HB   LEU  21          2HB       LEU  21  -8.739   3.779  -7.045
  630    HG   LEU  21           HG       LEU  21  -8.356   5.209  -9.355
  631   1HD1  LEU  21          1HD1      LEU  21 -10.150   6.453  -9.907
  632   2HD1  LEU  21          2HD1      LEU  21 -10.440   6.895  -8.223
  633   3HD1  LEU  21          3HD1      LEU  21 -11.100   5.390  -8.867
  634   1HD2  LEU  21          1HD2      LEU  21  -7.331   5.663  -7.180
  635   2HD2  LEU  21          2HD2      LEU  21  -8.875   6.233  -6.548
  636   3HD2  LEU  21          3HD2      LEU  21  -8.051   7.142  -7.816
  637    H    VAL  22           H        VAL  22  -7.703   1.450  -7.393
  638    HA   VAL  22           HA       VAL  22  -5.069   2.278  -7.994
  639    HB   VAL  22           HB       VAL  22  -6.039  -0.481  -7.178
  640   1HG1  VAL  22          1HG1      VAL  22  -3.490   1.004  -6.486
  641   2HG1  VAL  22          2HG1      VAL  22  -3.613  -0.198  -7.771
  642   3HG1  VAL  22          3HG1      VAL  22  -3.883  -0.670  -6.094
  643   1HG2  VAL  22          1HG2      VAL  22  -5.273   0.982  -4.905
  644   2HG2  VAL  22          2HG2      VAL  22  -6.921   0.541  -5.359
  645   3HG2  VAL  22          3HG2      VAL  22  -6.257   2.102  -5.849
  646    H    ARG  23           H        ARG  23  -6.956  -0.432  -9.383
  647    HA   ARG  23           HA       ARG  23  -4.886  -1.373 -11.132
  648   1HB   ARG  23          1HB       ARG  23  -6.841  -2.491 -12.256
  649   2HB   ARG  23          2HB       ARG  23  -6.808  -2.721 -10.509
  650   1HG   ARG  23          1HG       ARG  23  -8.569  -1.206 -10.149
  651   2HG   ARG  23          2HG       ARG  23  -8.346  -0.428 -11.715
  652   1HD   ARG  23          1HD       ARG  23 -10.360  -1.907 -11.689
  653   2HD   ARG  23          2HD       ARG  23  -9.147  -2.476 -12.852
  654    HE   ARG  23           HE       ARG  23  -8.738  -3.598 -10.200
  655   1HH1  ARG  23          1HH1      ARG  23  -8.413  -4.865 -13.003
  656   2HH1  ARG  23          2HH1      ARG  23  -9.620  -6.105 -12.925
  657   1HH2  ARG  23          1HH2      ARG  23 -11.200  -4.758 -10.151
  658   2HH2  ARG  23          2HH2      ARG  23 -11.200  -6.044 -11.313
  659    H    LYS  24           H        LYS  24  -7.286   1.201 -11.466
  660    HA   LYS  24           HA       LYS  24  -6.808   1.539 -14.346
  661   1HB   LYS  24          1HB       LYS  24  -8.862   2.050 -12.655
  662   2HB   LYS  24          2HB       LYS  24  -8.097   3.639 -12.681
  663   1HG   LYS  24          1HG       LYS  24  -8.113   2.752 -15.358
  664   2HG   LYS  24          2HG       LYS  24  -9.711   2.368 -14.717
  665   1HD   LYS  24          1HD       LYS  24  -8.936   4.978 -13.790
  666   2HD   LYS  24          2HD       LYS  24  -8.739   4.908 -15.540
  667   1HE   LYS  24          1HE       LYS  24 -11.250   3.944 -14.151
  668   2HE   LYS  24          2HE       LYS  24 -11.060   5.598 -14.765
  669   1HZ   LYS  24          1HZ       LYS  24 -12.030   4.033 -16.415
  670   2HZ   LYS  24          2HZ       LYS  24 -10.570   3.156 -16.386
  671   3HZ   LYS  24          3HZ       LYS  24 -10.590   4.764 -16.935
  672    H    VAL  25           H        VAL  25  -5.216   2.503 -11.482
  673    HA   VAL  25           HA       VAL  25  -4.100   4.977 -12.703
  674    HB   VAL  25           HB       VAL  25  -4.018   3.704  -9.950
  675   1HG1  VAL  25          1HG1      VAL  25  -2.902   5.703  -9.166
  676   2HG1  VAL  25          2HG1      VAL  25  -2.978   6.427 -10.773
  677   3HG1  VAL  25          3HG1      VAL  25  -1.949   5.024 -10.486
  678   1HG2  VAL  25          1HG2      VAL  25  -5.642   5.274  -9.334
  679   2HG2  VAL  25          2HG2      VAL  25  -6.138   4.848 -10.971
  680   3HG2  VAL  25          3HG2      VAL  25  -5.254   6.347 -10.680
  681    H    ALA  26           H        ALA  26  -3.210   1.704 -11.765
  682    HA   ALA  26           HA       ALA  26  -0.333   2.124 -11.958
  683   1HB   ALA  26          1HB       ALA  26  -1.083  -0.596 -12.353
  684   2HB   ALA  26          2HB       ALA  26  -2.233   0.099 -11.211
  685   3HB   ALA  26          3HB       ALA  26  -0.504   0.154 -10.866
  686    H    GLU  27           H        GLU  27  -2.922   1.172 -14.153
  687    HA   GLU  27           HA       GLU  27  -1.097   0.324 -16.280
  688   1HB   GLU  27          1HB       GLU  27  -3.225   0.075 -17.517
  689   2HB   GLU  27          2HB       GLU  27  -3.343  -0.647 -15.913
  690   1HG   GLU  27          1HG       GLU  27  -4.661   1.115 -15.079
  691   2HG   GLU  27          2HG       GLU  27  -4.173   2.215 -16.368
  692    H    GLU  28           H        GLU  28  -2.276   3.341 -15.130
  693    HA   GLU  28           HA       GLU  28  -2.221   4.676 -17.761
  694   1HB   GLU  28          1HB       GLU  28  -2.686   5.483 -14.886
  695   2HB   GLU  28          2HB       GLU  28  -2.605   6.680 -16.180
  696   1HG   GLU  28          1HG       GLU  28  -4.469   4.289 -16.200
  697   2HG   GLU  28          2HG       GLU  28  -4.943   5.906 -15.675
  698    H    ASN  29           H        ASN  29  -0.397   5.021 -14.685
  699    HA   ASN  29           HA       ASN  29   1.582   6.808 -15.686
  700   1HB   ASN  29          1HB       ASN  29   1.387   4.815 -13.433
  701   2HB   ASN  29          2HB       ASN  29   2.871   5.734 -13.685
  702   1HD2  ASN  29          1HD2      ASN  29   1.069   6.039 -11.376
  703   2HD2  ASN  29          2HD2      ASN  29   0.481   7.631 -11.422
  704    H    GLY  30           H        GLY  30   1.210   3.357 -16.085
  705   1HA   GLY  30          1HA       GLY  30   2.401   2.138 -17.806
  706   2HA   GLY  30          2HA       GLY  30   3.694   3.335 -17.717
  707    H    ARG  31           H        ARG  31   2.184   1.714 -14.961
  708    HA   ARG  31           HA       ARG  31   4.671   0.113 -14.534
  709   1HB   ARG  31          1HB       ARG  31   3.330   1.860 -12.447
  710   2HB   ARG  31          2HB       ARG  31   4.846   0.978 -12.272
  711   1HG   ARG  31          1HG       ARG  31   5.877   2.370 -14.017
  712   2HG   ARG  31          2HG       ARG  31   4.357   3.241 -14.229
  713   1HD   ARG  31          1HD       ARG  31   4.548   3.719 -11.663
  714   2HD   ARG  31          2HD       ARG  31   6.261   3.320 -11.895
  715    HE   ARG  31           HE       ARG  31   4.904   5.679 -12.961
  716   1HH1  ARG  31          1HH1      ARG  31   7.799   5.442 -12.033
  717   2HH1  ARG  31          2HH1      ARG  31   8.646   5.604 -13.535
  718   1HH2  ARG  31          1HH2      ARG  31   5.841   5.009 -15.483
  719   2HH2  ARG  31          2HH2      ARG  31   7.536   5.359 -15.488
  720    H    SER  32           H        SER  32   3.848  -0.664 -11.890
  721    HA   SER  32           HA       SER  32   1.451  -2.337 -12.541
  722   1HB   SER  32          1HB       SER  32   2.614  -3.731 -10.619
  723   2HB   SER  32          2HB       SER  32   3.260  -3.794 -12.255
  724    HG   SER  32           HG       SER  32   4.868  -3.372 -10.653
  725    H    VAL  33           H        VAL  33   0.261  -2.984 -10.414
  726    HA   VAL  33           HA       VAL  33  -0.548  -0.568  -9.052
  727    HB   VAL  33           HB       VAL  33  -1.106  -3.527  -8.706
  728   1HG1  VAL  33          1HG1      VAL  33  -1.919  -1.181  -7.122
  729   2HG1  VAL  33          2HG1      VAL  33  -1.954  -2.892  -6.700
  730   3HG1  VAL  33          3HG1      VAL  33  -3.258  -2.192  -7.660
  731   1HG2  VAL  33          1HG2      VAL  33  -2.903  -3.184 -10.143
  732   2HG2  VAL  33          2HG2      VAL  33  -1.732  -2.045 -10.811
  733   3HG2  VAL  33          3HG2      VAL  33  -3.020  -1.468  -9.752
  734    H    ASN  34           H        ASN  34   1.803  -3.072  -8.391
  735    HA   ASN  34           HA       ASN  34   1.997  -2.671  -5.519
  736   1HB   ASN  34          1HB       ASN  34   2.844  -4.565  -7.161
  737   2HB   ASN  34          2HB       ASN  34   4.270  -3.536  -7.301
  738   1HD2  ASN  34          1HD2      ASN  34   4.919  -5.855  -6.146
  739   2HD2  ASN  34          2HD2      ASN  34   5.028  -5.741  -4.455
  740    H    SER  35           H        SER  35   3.360  -1.113  -8.363
  741    HA   SER  35           HA       SER  35   5.250   0.504  -6.771
  742   1HB   SER  35          1HB       SER  35   4.817  -0.298  -9.519
  743   2HB   SER  35          2HB       SER  35   4.991   1.452  -9.427
  744    HG   SER  35           HG       SER  35   7.015   1.204  -8.908
  745    H    GLU  36           H        GLU  36   2.073   0.779  -8.279
  746    HA   GLU  36           HA       GLU  36   1.808   3.629  -8.227
  747   1HB   GLU  36          1HB       GLU  36   0.413   1.813  -9.382
  748   2HB   GLU  36          2HB       GLU  36  -0.350   1.542  -7.814
  749   1HG   GLU  36          1HG       GLU  36  -0.515   4.249  -7.995
  750   2HG   GLU  36          2HG       GLU  36  -0.655   3.798  -9.693
  751    H    ILE  37           H        ILE  37   0.453   1.183  -5.982
  752    HA   ILE  37           HA       ILE  37  -0.345   3.014  -3.945
  753    HB   ILE  37           HB       ILE  37   0.513   0.100  -3.910
  754   1HG1  ILE  37          1HG1      ILE  37  -1.441   0.780  -5.370
  755   2HG1  ILE  37          2HG1      ILE  37  -1.838  -0.395  -4.117
  756   1HG2  ILE  37          1HG2      ILE  37   0.332   0.169  -1.670
  757   2HG2  ILE  37          2HG2      ILE  37  -1.365   0.626  -1.858
  758   3HG2  ILE  37          3HG2      ILE  37  -0.123   1.873  -1.725
  759   1HD1  ILE  37          1HD1      ILE  37  -2.115   2.481  -3.391
  760   2HD1  ILE  37          2HD1      ILE  37  -3.103   1.101  -2.920
  761   3HD1  ILE  37          3HD1      ILE  37  -3.305   1.827  -4.516
  762    H    TYR  38           H        TYR  38   2.773   1.715  -4.827
  763    HA   TYR  38           HA       TYR  38   4.107   2.158  -2.297
  764   1HB   TYR  38          1HB       TYR  38   4.933   0.557  -3.893
  765   2HB   TYR  38          2HB       TYR  38   4.951   1.759  -5.181
  766    HD1  TYR  38           HD1      TYR  38   7.114   2.311  -5.806
  767    HD2  TYR  38           HD2      TYR  38   6.210   1.701  -1.637
  768    HE1  TYR  38           HE1      TYR  38   9.459   2.930  -5.213
  769    HE2  TYR  38           HE2      TYR  38   8.551   2.318  -1.032
  770    HH   TYR  38           HH       TYR  38  10.621   3.893  -3.093
  771    H    GLN  39           H        GLN  39   3.540   4.092  -5.216
  772    HA   GLN  39           HA       GLN  39   5.360   6.244  -4.445
  773   1HB   GLN  39          1HB       GLN  39   4.231   5.385  -6.748
  774   2HB   GLN  39          2HB       GLN  39   3.091   6.666  -6.333
  775   1HG   GLN  39          1HG       GLN  39   4.569   8.106  -7.251
  776   2HG   GLN  39          2HG       GLN  39   5.586   7.808  -5.841
  777   1HE2  GLN  39          1HE2      GLN  39   7.668   7.202  -6.424
  778   2HE2  GLN  39          2HE2      GLN  39   8.076   6.305  -7.805
  779    H    ARG  40           H        ARG  40   1.815   5.800  -4.456
  780    HA   ARG  40           HA       ARG  40   1.103   8.336  -3.359
  781   1HB   ARG  40          1HB       ARG  40  -0.232   5.628  -3.001
  782   2HB   ARG  40          2HB       ARG  40  -1.019   7.202  -2.910
  783   1HG   ARG  40          1HG       ARG  40   0.033   7.464  -5.348
  784   2HG   ARG  40          2HG       ARG  40  -0.052   5.702  -5.306
  785   1HD   ARG  40          1HD       ARG  40  -2.414   5.712  -5.018
  786   2HD   ARG  40          2HD       ARG  40  -2.430   7.432  -4.577
  787    HE   ARG  40           HE       ARG  40  -2.187   6.360  -7.306
  788   1HH1  ARG  40          1HH1      ARG  40  -3.560   8.888  -5.951
  789   2HH1  ARG  40          2HH1      ARG  40  -2.738  10.136  -6.825
  790   1HH2  ARG  40          1HH2      ARG  40  -0.307   8.011  -8.093
  791   2HH2  ARG  40          2HH2      ARG  40  -0.894   9.640  -8.038
  792    H    VAL  41           H        VAL  41   2.368   5.419  -1.906
  793    HA   VAL  41           HA       VAL  41   1.720   6.250   0.852
  794    HB   VAL  41           HB       VAL  41   3.157   3.935  -0.477
  795   1HG1  VAL  41          1HG1      VAL  41   3.307   2.862   1.683
  796   2HG1  VAL  41          2HG1      VAL  41   2.491   4.215   2.466
  797   3HG1  VAL  41          3HG1      VAL  41   4.110   4.428   1.797
  798   1HG2  VAL  41          1HG2      VAL  41   1.192   2.706  -0.013
  799   2HG2  VAL  41          2HG2      VAL  41   0.597   4.273  -0.562
  800   3HG2  VAL  41          3HG2      VAL  41   0.624   3.893   1.160
  801    H    MET  42           H        MET  42   4.457   6.229  -1.367
  802    HA   MET  42           HA       MET  42   6.559   6.681   0.524
  803   1HB   MET  42          1HB       MET  42   6.175   6.396  -2.252
  804   2HB   MET  42          2HB       MET  42   6.947   7.968  -2.048
  805   1HG   MET  42          1HG       MET  42   7.991   5.595  -0.537
  806   2HG   MET  42          2HG       MET  42   8.437   5.814  -2.229
  807   1HE   MET  42          1HE       MET  42   9.164   8.668  -2.960
  808   2HE   MET  42          2HE       MET  42   9.971   7.109  -3.117
  809   3HE   MET  42          3HE       MET  42  10.850   8.487  -2.459
  810    H    GLU  43           H        GLU  43   5.233   9.101  -1.763
  811    HA   GLU  43           HA       GLU  43   6.271  11.385  -0.463
  812   1HB   GLU  43          1HB       GLU  43   4.537  12.564  -1.786
  813   2HB   GLU  43          2HB       GLU  43   5.318  11.301  -2.738
  814   1HG   GLU  43          1HG       GLU  43   3.436   9.758  -2.139
  815   2HG   GLU  43          2HG       GLU  43   2.633  11.114  -1.345
  816    H    SER  44           H        SER  44   3.576   9.365   0.431
  817    HA   SER  44           HA       SER  44   2.002  11.199   1.938
  818   1HB   SER  44          1HB       SER  44   1.478   8.821   1.271
  819   2HB   SER  44          2HB       SER  44   2.591   8.279   2.523
  820    HG   SER  44           HG       SER  44   0.409  10.028   2.998
  821    H    PHE  45           H        PHE  45   4.595   8.994   3.087
  822    HA   PHE  45           HA       PHE  45   4.683   9.933   5.771
  823   1HB   PHE  45          1HB       PHE  45   6.691   8.687   3.878
  824   2HB   PHE  45          2HB       PHE  45   7.052   8.969   5.580
  825    HD1  PHE  45           HD1      PHE  45   6.430   6.359   3.626
  826    HD2  PHE  45           HD2      PHE  45   4.500   8.376   6.919
  827    HE1  PHE  45           HE1      PHE  45   5.272   4.244   4.243
  828    HE2  PHE  45           HE2      PHE  45   3.343   6.258   7.536
  829    HZ   PHE  45           HZ       PHE  45   3.735   4.190   6.200
  830    H    LYS  46           H        LYS  46   6.136  11.167   2.804
  831    HA   LYS  46           HA       LYS  46   8.029  12.967   4.020
  832   1HB   LYS  46          1HB       LYS  46   8.150  12.170   1.707
  833   2HB   LYS  46          2HB       LYS  46   6.608  12.941   1.338
  834   1HG   LYS  46          1HG       LYS  46   7.529  15.132   1.648
  835   2HG   LYS  46          2HG       LYS  46   9.014  14.477   2.340
  836   1HD   LYS  46          1HD       LYS  46   8.284  13.517  -0.379
  837   2HD   LYS  46          2HD       LYS  46   8.820  15.193  -0.254
  838   1HE   LYS  46          1HE       LYS  46  10.974  14.575   0.135
  839   2HE   LYS  46          2HE       LYS  46  10.486  13.332   1.303
  840   1HZ   LYS  46          1HZ       LYS  46  11.454  12.561  -0.930
  841   2HZ   LYS  46          2HZ       LYS  46   9.948  12.998  -1.582
  842   3HZ   LYS  46          3HZ       LYS  46  10.041  11.808  -0.372
  843    H    LYS  47           H        LYS  47   4.600  13.236   3.206
  844    HA   LYS  47           HA       LYS  47   4.383  16.099   3.389
  845   1HB   LYS  47          1HB       LYS  47   2.723  13.744   3.087
  846   2HB   LYS  47          2HB       LYS  47   1.964  14.885   4.198
  847   1HG   LYS  47          1HG       LYS  47   3.156  16.116   1.793
  848   2HG   LYS  47          2HG       LYS  47   1.783  15.055   1.475
  849   1HD   LYS  47          1HD       LYS  47   0.299  16.416   2.576
  850   2HD   LYS  47          2HD       LYS  47   1.502  16.952   3.751
  851   1HE   LYS  47          1HE       LYS  47   2.132  17.809   1.010
  852   2HE   LYS  47          2HE       LYS  47   0.605  18.475   1.623
  853   1HZ   LYS  47          1HZ       LYS  47   1.803  18.999   3.717
  854   2HZ   LYS  47          2HZ       LYS  47   2.367  19.878   2.377
  855   3HZ   LYS  47          3HZ       LYS  47   3.254  18.553   2.962
  856    H    GLU  48           H        GLU  48   4.376  13.529   5.808
  857    HA   GLU  48           HA       GLU  48   3.586  15.427   7.952
  858   1HB   GLU  48          1HB       GLU  48   2.659  13.099   7.714
  859   2HB   GLU  48          2HB       GLU  48   4.276  12.473   8.041
  860   1HG   GLU  48          1HG       GLU  48   4.258  13.208  10.258
  861   2HG   GLU  48          2HG       GLU  48   3.036  14.441   9.942
  862    H    GLY  49           H        GLY  49   6.441  14.033   6.561
  863   1HA   GLY  49          1HA       GLY  49   8.680  14.668   7.067
  864   2HA   GLY  49          2HA       GLY  49   8.099  15.446   8.541
  865    H    ARG  50           H        ARG  50   6.941  12.241   8.004
  866    HA   ARG  50           HA       ARG  50   7.988  11.205  10.437
  867   1HB   ARG  50          1HB       ARG  50   6.081  10.445   8.820
  868   2HB   ARG  50          2HB       ARG  50   7.355   9.538   8.006
  869   1HG   ARG  50          1HG       ARG  50   6.377   8.052   9.620
  870   2HG   ARG  50          2HG       ARG  50   7.943   8.542  10.264
  871   1HD   ARG  50          1HD       ARG  50   6.700   9.006  12.147
  872   2HD   ARG  50          2HD       ARG  50   6.346  10.514  11.281
  873    HE   ARG  50           HE       ARG  50   4.550   8.503  10.352
  874   1HH1  ARG  50          1HH1      ARG  50   4.746  11.226  12.265
  875   2HH1  ARG  50          2HH1      ARG  50   3.370  10.861  13.252
  876   1HH2  ARG  50          1HH2      ARG  50   2.995   7.648  12.005
  877   2HH2  ARG  50          2HH2      ARG  50   2.379   8.836  13.103
  878    H    ILE  51           H        ILE  51   9.290  11.202   7.144
  879    HA   ILE  51           HA       ILE  51  11.574   9.489   7.930
  880    HB   ILE  51           HB       ILE  51  10.817  10.904   5.351
  881   1HG1  ILE  51          1HG1      ILE  51  10.598   7.949   5.869
  882   2HG1  ILE  51          2HG1      ILE  51   9.311   9.027   6.410
  883   1HG2  ILE  51          1HG2      ILE  51  13.276  10.205   5.760
  884   2HG2  ILE  51          2HG2      ILE  51  12.503   9.636   4.280
  885   3HG2  ILE  51          3HG2      ILE  51  12.680   8.548   5.656
  886   1HD1  ILE  51          1HD1      ILE  51   8.642   9.522   4.274
  887   2HD1  ILE  51          2HD1      ILE  51   9.362   7.947   3.936
  888   3HD1  ILE  51          3HD1      ILE  51  10.281   9.421   3.626
  889    H    GLY  52           H        GLY  52  11.311  12.659   6.265
  890   1HA   GLY  52          1HA       GLY  52  12.467  14.571   7.539
  891   2HA   GLY  52          2HA       GLY  52  13.832  13.460   7.658
  892    H    ALA  53           H        ALA  53  13.594  12.341   5.017
  893    HA   ALA  53           HA       ALA  53  13.851  14.647   3.165
  894   1HB   ALA  53          1HB       ALA  53  16.023  13.655   4.588
  895   2HB   ALA  53          2HB       ALA  53  16.122  14.588   3.095
  896   3HB   ALA  53          3HB       ALA  53  16.147  12.826   3.038
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   1.663 -19.054   7.743
    2   2H    MET   1          2H        MET   1   2.720 -19.146   6.415
    3   3H    MET   1          3H        MET   1   2.389 -20.534   7.339
    4    HA   MET   1           HA       MET   1   1.192 -20.349   5.115
    5   1HB   MET   1          1HB       MET   1   0.266 -21.000   7.857
    6   2HB   MET   1          2HB       MET   1  -1.000 -20.917   6.632
    7   1HG   MET   1          1HG       MET   1   1.550 -22.489   6.220
    8   2HG   MET   1          2HG       MET   1   0.106 -23.200   6.940
    9   1HE   MET   1          1HE       MET   1   1.148 -24.581   5.134
   10   2HE   MET   1          2HE       MET   1   1.323 -24.089   3.451
   11   3HE   MET   1          3HE       MET   1  -0.109 -24.984   3.955
   12    H    LYS   2           H        LYS   2  -0.799 -18.876   7.682
   13    HA   LYS   2           HA       LYS   2  -1.841 -16.934   5.670
   14   1HB   LYS   2          1HB       LYS   2  -2.778 -18.216   8.213
   15   2HB   LYS   2          2HB       LYS   2  -3.473 -16.659   7.760
   16   1HG   LYS   2          1HG       LYS   2  -4.027 -17.609   5.516
   17   2HG   LYS   2          2HG       LYS   2  -3.446 -19.178   6.075
   18   1HD   LYS   2          1HD       LYS   2  -5.630 -19.472   6.678
   19   2HD   LYS   2          2HD       LYS   2  -5.144 -18.545   8.097
   20   1HE   LYS   2          1HE       LYS   2  -6.926 -17.225   7.448
   21   2HE   LYS   2          2HE       LYS   2  -5.702 -16.509   6.380
   22   1HZ   LYS   2          1HZ       LYS   2  -7.500 -18.780   5.713
   23   2HZ   LYS   2          2HZ       LYS   2  -6.265 -18.189   4.708
   24   3HZ   LYS   2          3HZ       LYS   2  -7.601 -17.209   5.082
   25    H    GLY   3           H        GLY   3   0.740 -16.314   6.594
   26   1HA   GLY   3          1HA       GLY   3   1.828 -14.351   7.342
   27   2HA   GLY   3          2HA       GLY   3   0.258 -13.720   7.846
   28    H    MET   4           H        MET   4   3.175 -14.716   9.040
   29    HA   MET   4           HA       MET   4   1.947 -15.460  11.676
   30   1HB   MET   4          1HB       MET   4   3.010 -17.358  10.502
   31   2HB   MET   4          2HB       MET   4   4.512 -16.440  10.379
   32   1HG   MET   4          1HG       MET   4   4.947 -16.584  12.666
   33   2HG   MET   4          2HG       MET   4   3.250 -16.842  13.073
   34   1HE   MET   4          1HE       MET   4   1.932 -18.544  12.530
   35   2HE   MET   4          2HE       MET   4   2.546 -19.582  13.816
   36   3HE   MET   4          3HE       MET   4   2.334 -20.232  12.192
   37    H    SER   5           H        SER   5   5.111 -14.410  10.327
   38    HA   SER   5           HA       SER   5   5.139 -12.134  12.232
   39   1HB   SER   5          1HB       SER   5   6.199 -14.548  12.928
   40   2HB   SER   5          2HB       SER   5   7.589 -13.784  12.167
   41    HG   SER   5           HG       SER   5   6.811 -13.411  14.587
   42    H    LYS   6           H        LYS   6   5.203 -12.708   9.242
   43    HA   LYS   6           HA       LYS   6   7.693 -11.153   8.614
   44   1HB   LYS   6          1HB       LYS   6   6.249 -13.348   7.099
   45   2HB   LYS   6          2HB       LYS   6   7.577 -12.406   6.421
   46   1HG   LYS   6          1HG       LYS   6   9.152 -13.452   7.702
   47   2HG   LYS   6          2HG       LYS   6   8.076 -13.586   9.095
   48   1HD   LYS   6          1HD       LYS   6   7.548 -15.701   8.546
   49   2HD   LYS   6          2HD       LYS   6   7.062 -15.197   6.928
   50   1HE   LYS   6          1HE       LYS   6   9.890 -15.078   6.945
   51   2HE   LYS   6          2HE       LYS   6   9.450 -16.617   7.714
   52   1HZ   LYS   6          1HZ       LYS   6   8.586 -15.583   5.076
   53   2HZ   LYS   6          2HZ       LYS   6   7.766 -16.844   5.865
   54   3HZ   LYS   6          3HZ       LYS   6   9.391 -17.037   5.413
   55    H    MET   7           H        MET   7   7.456  -9.837   6.575
   56    HA   MET   7           HA       MET   7   5.027  -8.244   6.637
   57   1HB   MET   7          1HB       MET   7   6.219  -7.005   4.865
   58   2HB   MET   7          2HB       MET   7   7.322  -7.400   6.181
   59   1HG   MET   7          1HG       MET   7   7.541  -9.620   4.572
   60   2HG   MET   7          2HG       MET   7   7.324  -8.332   3.389
   61   1HE   MET   7          1HE       MET   7   9.745  -7.971   2.283
   62   2HE   MET   7          2HE       MET   7  10.406  -6.553   3.095
   63   3HE   MET   7          3HE       MET   7   8.671  -6.665   2.802
   64    HA   PRO   8           HA       PRO   8   2.665 -10.265   3.523
   65   1HB   PRO   8          1HB       PRO   8   1.642  -8.180   2.074
   66   2HB   PRO   8          2HB       PRO   8   1.078  -8.593   3.704
   67   1HG   PRO   8          1HG       PRO   8   2.980  -6.471   2.842
   68   2HG   PRO   8          2HG       PRO   8   1.704  -6.409   4.068
   69   1HD   PRO   8          1HD       PRO   8   4.327  -6.705   4.686
   70   2HD   PRO   8          2HD       PRO   8   3.019  -7.389   5.677
   71    H    GLN   9           H        GLN   9   2.908 -11.049   1.398
   72    HA   GLN   9           HA       GLN   9   5.406 -10.634   0.062
   73   1HB   GLN   9          1HB       GLN   9   2.750 -11.831  -0.783
   74   2HB   GLN   9          2HB       GLN   9   4.237 -11.993  -1.719
   75   1HG   GLN   9          1HG       GLN   9   5.181 -12.784   0.662
   76   2HG   GLN   9          2HG       GLN   9   3.492 -13.239   0.886
   77   1HE2  GLN   9          1HE2      GLN   9   6.393 -13.883  -1.048
   78   2HE2  GLN   9          2HE2      GLN   9   5.804 -15.298  -1.779
   79    H    PHE  10           H        PHE  10   2.490  -8.789  -0.004
   80    HA   PHE  10           HA       PHE  10   2.674  -7.776  -2.710
   81   1HB   PHE  10          1HB       PHE  10   0.616  -7.747  -1.388
   82   2HB   PHE  10          2HB       PHE  10   1.384  -6.732  -0.167
   83    HD1  PHE  10           HD1      PHE  10   1.389  -4.373  -0.375
   84    HD2  PHE  10           HD2      PHE  10   0.447  -6.829  -3.798
   85    HE1  PHE  10           HE1      PHE  10   0.760  -2.335  -1.664
   86    HE2  PHE  10           HE2      PHE  10  -0.182  -4.791  -5.086
   87    HZ   PHE  10           HZ       PHE  10  -0.026  -2.543  -4.020
   88    H    LEU  11           H        LEU  11   4.138  -6.874   0.366
   89    HA   LEU  11           HA       LEU  11   5.192  -4.339  -0.762
   90   1HB   LEU  11          1HB       LEU  11   5.372  -5.690   1.951
   91   2HB   LEU  11          2HB       LEU  11   6.012  -4.086   1.594
   92    HG   LEU  11           HG       LEU  11   3.120  -4.816   1.101
   93   1HD1  LEU  11          1HD1      LEU  11   4.115  -4.928   3.579
   94   2HD1  LEU  11          2HD1      LEU  11   2.532  -4.223   3.251
   95   3HD1  LEU  11          3HD1      LEU  11   3.936  -3.177   3.460
   96   1HD2  LEU  11          1HD2      LEU  11   4.285  -2.794   0.006
   97   2HD2  LEU  11          2HD2      LEU  11   4.364  -2.115   1.631
   98   3HD2  LEU  11          3HD2      LEU  11   2.799  -2.468   0.901
   99    H    ASN  12           H        ASN  12   6.095  -7.018  -1.777
  100    HA   ASN  12           HA       ASN  12   8.743  -7.564  -0.741
  101   1HB   ASN  12          1HB       ASN  12   6.945  -8.876  -2.252
  102   2HB   ASN  12          2HB       ASN  12   7.959  -8.229  -3.543
  103   1HD2  ASN  12          1HD2      ASN  12   7.797 -10.607  -0.996
  104   2HD2  ASN  12          2HD2      ASN  12   9.345 -11.264  -1.237
  105    H    ARG  13           H        ARG  13   7.449  -5.309  -3.083
  106    HA   ARG  13           HA       ARG  13  10.090  -4.763  -4.282
  107   1HB   ARG  13          1HB       ARG  13   7.435  -4.625  -5.086
  108   2HB   ARG  13          2HB       ARG  13   7.876  -2.933  -4.853
  109   1HG   ARG  13          1HG       ARG  13   9.863  -3.257  -6.288
  110   2HG   ARG  13          2HG       ARG  13   9.400  -4.940  -6.538
  111   1HD   ARG  13          1HD       ARG  13   7.759  -4.389  -8.036
  112   2HD   ARG  13          2HD       ARG  13   7.268  -2.957  -7.108
  113    HE   ARG  13           HE       ARG  13   9.486  -1.941  -7.973
  114   1HH1  ARG  13          1HH1      ARG  13   7.000  -3.247  -9.774
  115   2HH1  ARG  13          2HH1      ARG  13   7.868  -3.310 -11.271
  116   1HH2  ARG  13          1HH2      ARG  13  10.922  -2.504  -9.840
  117   2HH2  ARG  13          2HH2      ARG  13  10.090  -2.891 -11.307
  118    H    TRP  14           H        TRP  14   8.109  -3.556  -1.710
  119    HA   TRP  14           HA       TRP  14   9.089  -0.852  -1.608
  120   1HB   TRP  14          1HB       TRP  14   7.837  -2.776   0.358
  121   2HB   TRP  14          2HB       TRP  14   8.190  -1.103   0.758
  122    HD1  TRP  14           HD1      TRP  14   6.874  -2.213  -2.690
  123    HE1  TRP  14           HE1      TRP  14   4.558  -1.148  -3.048
  124    HE3  TRP  14           HE3      TRP  14   6.214  -0.095   1.881
  125    HZ2  TRP  14           HZ2      TRP  14   2.646   0.419  -1.568
  126    HZ3  TRP  14           HZ3      TRP  14   4.133   1.188   2.412
  127    HH2  TRP  14           HH2      TRP  14   2.353   1.449   0.684
  128    HA   PRO  15           HA       PRO  15  13.145  -1.934  -0.124
  129   1HB   PRO  15          1HB       PRO  15  13.934   0.562   0.678
  130   2HB   PRO  15          2HB       PRO  15  13.919   0.037  -1.016
  131   1HG   PRO  15          1HG       PRO  15  11.937   1.691   0.471
  132   2HG   PRO  15          2HG       PRO  15  12.538   1.874  -1.184
  133   1HD   PRO  15          1HD       PRO  15  10.122   0.778  -0.614
  134   2HD   PRO  15          2HD       PRO  15  11.088   0.300  -2.028
  135    H    ARG  16           H        ARG  16  14.384  -1.739   1.955
  136    HA   ARG  16           HA       ARG  16  12.764  -2.361   4.214
  137   1HB   ARG  16          1HB       ARG  16  14.957  -2.529   5.240
  138   2HB   ARG  16          2HB       ARG  16  15.048  -3.179   3.623
  139   1HG   ARG  16          1HG       ARG  16  15.956  -1.016   2.827
  140   2HG   ARG  16          2HG       ARG  16  15.898  -0.396   4.476
  141   1HD   ARG  16          1HD       ARG  16  17.263  -2.941   4.467
  142   2HD   ARG  16          2HD       ARG  16  18.016  -1.850   3.286
  143    HE   ARG  16           HE       ARG  16  17.434  -0.382   5.673
  144   1HH1  ARG  16          1HH1      ARG  16  19.927  -1.626   3.861
  145   2HH1  ARG  16          2HH1      ARG  16  21.047  -1.800   5.172
  146   1HH2  ARG  16          1HH2      ARG  16  18.689  -1.127   7.625
  147   2HH2  ARG  16          2HH2      ARG  16  20.345  -1.518   7.304
  148    H    GLU  17           H        GLU  17  14.168   0.636   3.027
  149    HA   GLU  17           HA       GLU  17  14.142   2.124   5.477
  150   1HB   GLU  17          1HB       GLU  17  14.405   2.558   2.572
  151   2HB   GLU  17          2HB       GLU  17  13.770   3.948   3.453
  152   1HG   GLU  17          1HG       GLU  17  15.684   4.123   4.809
  153   2HG   GLU  17          2HG       GLU  17  16.190   2.468   4.466
  154    H    VAL  18           H        VAL  18  11.778   2.057   2.779
  155    HA   VAL  18           HA       VAL  18   9.849   3.740   4.098
  156    HB   VAL  18           HB       VAL  18   9.543   1.644   1.916
  157   1HG1  VAL  18          1HG1      VAL  18   7.530   2.785   1.307
  158   2HG1  VAL  18          2HG1      VAL  18   7.874   4.122   2.406
  159   3HG1  VAL  18          3HG1      VAL  18   7.435   2.540   3.051
  160   1HG2  VAL  18          1HG2      VAL  18  11.268   3.296   1.365
  161   2HG2  VAL  18          2HG2      VAL  18  10.180   4.613   1.804
  162   3HG2  VAL  18          3HG2      VAL  18   9.825   3.607   0.400
  163    H    LEU  19           H        LEU  19  10.228   0.204   3.896
  164    HA   LEU  19           HA       LEU  19   7.775  -0.483   5.205
  165   1HB   LEU  19          1HB       LEU  19  10.408  -1.764   4.580
  166   2HB   LEU  19          2HB       LEU  19   9.320  -2.595   5.694
  167    HG   LEU  19           HG       LEU  19   8.444  -1.574   2.982
  168   1HD1  LEU  19          1HD1      LEU  19  10.040  -3.235   2.445
  169   2HD1  LEU  19          2HD1      LEU  19   8.506  -4.107   2.452
  170   3HD1  LEU  19          3HD1      LEU  19   9.599  -4.231   3.833
  171   1HD2  LEU  19          1HD2      LEU  19   7.227  -3.158   5.215
  172   2HD2  LEU  19          2HD2      LEU  19   6.745  -3.538   3.562
  173   3HD2  LEU  19          3HD2      LEU  19   6.499  -1.913   4.202
  174    H    ASP  20           H        ASP  20  10.952   0.443   6.446
  175    HA   ASP  20           HA       ASP  20  10.581  -0.467   9.153
  176   1HB   ASP  20          1HB       ASP  20  12.584   0.649   7.646
  177   2HB   ASP  20          2HB       ASP  20  12.140   2.003   8.681
  178    H    LEU  21           H        LEU  21   9.495   2.349   7.378
  179    HA   LEU  21           HA       LEU  21   8.673   3.838   9.780
  180   1HB   LEU  21          1HB       LEU  21   9.520   4.946   7.757
  181   2HB   LEU  21          2HB       LEU  21   8.244   4.205   6.796
  182    HG   LEU  21           HG       LEU  21   6.537   5.423   8.052
  183   1HD1  LEU  21          1HD1      LEU  21   8.904   6.151   9.741
  184   2HD1  LEU  21          2HD1      LEU  21   7.274   5.694  10.236
  185   3HD1  LEU  21          3HD1      LEU  21   7.581   7.309   9.594
  186   1HD2  LEU  21          1HD2      LEU  21   7.442   6.584   6.135
  187   2HD2  LEU  21          2HD2      LEU  21   8.842   7.121   7.061
  188   3HD2  LEU  21          3HD2      LEU  21   7.244   7.767   7.429
  189    H    VAL  22           H        VAL  22   7.141   1.968   7.172
  190    HA   VAL  22           HA       VAL  22   4.415   2.461   7.802
  191    HB   VAL  22           HB       VAL  22   5.735  -0.056   6.736
  192   1HG1  VAL  22          1HG1      VAL  22   3.263  -0.096   7.373
  193   2HG1  VAL  22          2HG1      VAL  22   3.633  -0.520   5.702
  194   3HG1  VAL  22          3HG1      VAL  22   3.009   1.084   6.087
  195   1HG2  VAL  22          1HG2      VAL  22   6.407   1.202   4.991
  196   2HG2  VAL  22          2HG2      VAL  22   5.646   2.633   5.685
  197   3HG2  VAL  22          3HG2      VAL  22   4.715   1.559   4.645
  198    H    ARG  23           H        ARG  23   6.571  -0.180   8.902
  199    HA   ARG  23           HA       ARG  23   4.661  -1.545  10.511
  200   1HB   ARG  23          1HB       ARG  23   6.658  -2.589  11.485
  201   2HB   ARG  23          2HB       ARG  23   6.869  -2.398   9.746
  202   1HG   ARG  23          1HG       ARG  23   8.306  -0.512  10.028
  203   2HG   ARG  23          2HG       ARG  23   7.875  -0.350  11.730
  204   1HD   ARG  23          1HD       ARG  23  10.015  -1.417  11.737
  205   2HD   ARG  23          2HD       ARG  23   8.855  -2.733  12.011
  206    HE   ARG  23           HE       ARG  23   9.087  -2.493   9.223
  207   1HH1  ARG  23          1HH1      ARG  23  11.893  -1.937  10.708
  208   2HH1  ARG  23          2HH1      ARG  23  12.655  -3.452  10.363
  209   1HH2  ARG  23          1HH2      ARG  23   9.733  -4.982   9.290
  210   2HH2  ARG  23          2HH2      ARG  23  11.433  -5.177   9.558
  211    H    LYS  24           H        LYS  24   6.607   1.320  11.178
  212    HA   LYS  24           HA       LYS  24   6.009   1.259  14.062
  213   1HB   LYS  24          1HB       LYS  24   7.790   2.584  12.192
  214   2HB   LYS  24          2HB       LYS  24   7.037   3.762  13.267
  215   1HG   LYS  24          1HG       LYS  24   7.749   1.528  14.869
  216   2HG   LYS  24          2HG       LYS  24   9.144   1.894  13.856
  217   1HD   LYS  24          1HD       LYS  24   9.483   3.944  14.822
  218   2HD   LYS  24          2HD       LYS  24   7.762   4.219  15.088
  219   1HE   LYS  24          1HE       LYS  24   7.735   2.854  17.046
  220   2HE   LYS  24          2HE       LYS  24   9.323   2.157  16.668
  221   1HZ   LYS  24          1HZ       LYS  24   9.685   3.873  18.249
  222   2HZ   LYS  24          2HZ       LYS  24   8.713   4.971  17.390
  223   3HZ   LYS  24          3HZ       LYS  24  10.208   4.476  16.753
  224    H    VAL  25           H        VAL  25   4.625   2.577  11.160
  225    HA   VAL  25           HA       VAL  25   3.061   4.647  12.563
  226    HB   VAL  25           HB       VAL  25   3.130   3.587   9.718
  227   1HG1  VAL  25          1HG1      VAL  25   0.970   4.746  10.523
  228   2HG1  VAL  25          2HG1      VAL  25   1.746   5.401   9.083
  229   3HG1  VAL  25          3HG1      VAL  25   1.947   6.210  10.637
  230   1HG2  VAL  25          1HG2      VAL  25   4.085   6.303  10.468
  231   2HG2  VAL  25          2HG2      VAL  25   4.732   5.171   9.281
  232   3HG2  VAL  25          3HG2      VAL  25   5.083   4.947  10.994
  233    H    ALA  26           H        ALA  26   2.686   1.333  11.508
  234    HA   ALA  26           HA       ALA  26  -0.214   1.283  11.492
  235   1HB   ALA  26          1HB       ALA  26   0.914  -1.269  12.063
  236   2HB   ALA  26          2HB       ALA  26   2.039  -0.435  10.993
  237   3HB   ALA  26          3HB       ALA  26   0.362  -0.666  10.501
  238    H    GLU  27           H        GLU  27   2.305   0.698  13.906
  239    HA   GLU  27           HA       GLU  27   0.420  -0.251  15.938
  240   1HB   GLU  27          1HB       GLU  27   2.953  -0.776  15.508
  241   2HB   GLU  27          2HB       GLU  27   3.232   0.715  16.407
  242   1HG   GLU  27          1HG       GLU  27   1.351  -0.583  17.959
  243   2HG   GLU  27          2HG       GLU  27   2.358  -1.909  17.378
  244    H    GLU  28           H        GLU  28   1.341   2.818  14.740
  245    HA   GLU  28           HA       GLU  28   1.068   4.246  17.303
  246   1HB   GLU  28          1HB       GLU  28   1.837   4.770  14.492
  247   2HB   GLU  28          2HB       GLU  28   1.062   6.123  15.317
  248   1HG   GLU  28          1HG       GLU  28   3.248   4.600  16.704
  249   2HG   GLU  28          2HG       GLU  28   3.665   5.822  15.503
  250    H    ASN  29           H        ASN  29  -0.654   4.453  14.157
  251    HA   ASN  29           HA       ASN  29  -2.874   5.950  15.094
  252   1HB   ASN  29          1HB       ASN  29  -2.396   3.998  12.841
  253   2HB   ASN  29          2HB       ASN  29  -3.952   4.808  13.031
  254   1HD2  ASN  29          1HD2      ASN  29  -3.272   5.819  10.852
  255   2HD2  ASN  29          2HD2      ASN  29  -2.303   7.212  10.905
  256    H    GLY  30           H        GLY  30  -2.216   2.483  15.234
  257   1HA   GLY  30          1HA       GLY  30  -3.283   1.145  16.996
  258   2HA   GLY  30          2HA       GLY  30  -4.712   2.169  16.842
  259    H    ARG  31           H        ARG  31  -2.921   0.898  14.091
  260    HA   ARG  31           HA       ARG  31  -5.144  -1.039  13.556
  261   1HB   ARG  31          1HB       ARG  31  -3.903   0.868  11.545
  262   2HB   ARG  31          2HB       ARG  31  -5.292  -0.186  11.285
  263   1HG   ARG  31          1HG       ARG  31  -6.445   1.085  13.170
  264   2HG   ARG  31          2HG       ARG  31  -5.124   2.249  13.068
  265   1HD   ARG  31          1HD       ARG  31  -5.649   2.508  10.605
  266   2HD   ARG  31          2HD       ARG  31  -7.107   1.536  10.886
  267    HE   ARG  31           HE       ARG  31  -6.569   4.210  12.082
  268   1HH1  ARG  31          1HH1      ARG  31  -8.065   2.359  13.933
  269   2HH1  ARG  31          2HH1      ARG  31  -9.710   2.710  13.528
  270   1HH2  ARG  31          1HH2      ARG  31  -8.919   4.279  10.540
  271   2HH2  ARG  31          2HH2      ARG  31 -10.190   3.795  11.605
  272    H    SER  32           H        SER  32  -4.232  -1.964  11.117
  273    HA   SER  32           HA       SER  32  -1.689  -3.309  11.871
  274   1HB   SER  32          1HB       SER  32  -4.049  -4.266  10.963
  275   2HB   SER  32          2HB       SER  32  -3.244  -3.993   9.421
  276    HG   SER  32           HG       SER  32  -2.600  -5.733  11.517
  277    H    VAL  33           H        VAL  33  -0.519  -3.864   9.520
  278    HA   VAL  33           HA       VAL  33   0.390  -1.242   8.588
  279    HB   VAL  33           HB       VAL  33   1.111  -4.127   8.016
  280   1HG1  VAL  33          1HG1      VAL  33   1.928  -1.609   6.731
  281   2HG1  VAL  33          2HG1      VAL  33   2.089  -3.269   6.158
  282   3HG1  VAL  33          3HG1      VAL  33   3.272  -2.606   7.287
  283   1HG2  VAL  33          1HG2      VAL  33   1.563  -3.303  10.294
  284   2HG2  VAL  33          2HG2      VAL  33   2.428  -1.917   9.628
  285   3HG2  VAL  33          3HG2      VAL  33   3.074  -3.547   9.414
  286    H    ASN  34           H        ASN  34  -1.953  -3.579   7.609
  287    HA   ASN  34           HA       ASN  34  -1.908  -2.883   4.748
  288   1HB   ASN  34          1HB       ASN  34  -2.609  -5.101   5.783
  289   2HB   ASN  34          2HB       ASN  34  -4.038  -4.276   6.406
  290   1HD2  ASN  34          1HD2      ASN  34  -5.382  -5.690   4.987
  291   2HD2  ASN  34          2HD2      ASN  34  -5.499  -5.353   3.328
  292    H    SER  35           H        SER  35  -3.639  -1.971   7.684
  293    HA   SER  35           HA       SER  35  -5.615  -0.307   6.319
  294   1HB   SER  35          1HB       SER  35  -5.320  -1.475   8.797
  295   2HB   SER  35          2HB       SER  35  -4.945   0.209   9.153
  296    HG   SER  35           HG       SER  35  -7.240  -0.486   9.215
  297    H    GLU  36           H        GLU  36  -2.522   0.206   8.030
  298    HA   GLU  36           HA       GLU  36  -2.473   3.047   7.978
  299   1HB   GLU  36          1HB       GLU  36  -0.971   1.384   9.177
  300   2HB   GLU  36          2HB       GLU  36  -0.165   1.110   7.632
  301   1HG   GLU  36          1HG       GLU  36  -0.285   3.894   7.894
  302   2HG   GLU  36          2HG       GLU  36   0.149   3.305   9.498
  303    H    ILE  37           H        ILE  37  -1.100   0.677   5.676
  304    HA   ILE  37           HA       ILE  37  -0.220   2.586   3.725
  305    HB   ILE  37           HB       ILE  37  -1.057  -0.329   3.575
  306   1HG1  ILE  37          1HG1      ILE  37   0.822   0.224   5.123
  307   2HG1  ILE  37          2HG1      ILE  37   1.340  -0.773   3.763
  308   1HG2  ILE  37          1HG2      ILE  37   0.786   0.033   1.587
  309   2HG2  ILE  37          2HG2      ILE  37  -0.096   1.560   1.516
  310   3HG2  ILE  37          3HG2      ILE  37  -0.961   0.033   1.330
  311   1HD1  ILE  37          1HD1      ILE  37   2.969   0.982   4.022
  312   2HD1  ILE  37          2HD1      ILE  37   1.712   2.216   4.088
  313   3HD1  ILE  37          3HD1      ILE  37   2.025   1.355   2.581
  314    H    TYR  38           H        TYR  38  -3.352   1.198   4.452
  315    HA   TYR  38           HA       TYR  38  -4.607   1.759   1.902
  316   1HB   TYR  38          1HB       TYR  38  -5.391   0.049   3.460
  317   2HB   TYR  38          2HB       TYR  38  -5.636   1.266   4.712
  318    HD1  TYR  38           HD1      TYR  38  -7.875   1.746   5.077
  319    HD2  TYR  38           HD2      TYR  38  -6.502   0.997   1.065
  320    HE1  TYR  38           HE1      TYR  38 -10.170   2.176   4.214
  321    HE2  TYR  38           HE2      TYR  38  -8.798   1.422   0.191
  322    HH   TYR  38           HH       TYR  38 -11.300   2.770   2.186
  323    H    GLN  39           H        GLN  39  -4.117   3.565   4.900
  324    HA   GLN  39           HA       GLN  39  -6.020   5.680   4.227
  325   1HB   GLN  39          1HB       GLN  39  -3.785   5.346   6.250
  326   2HB   GLN  39          2HB       GLN  39  -4.831   6.764   6.198
  327   1HG   GLN  39          1HG       GLN  39  -5.977   3.977   6.332
  328   2HG   GLN  39          2HG       GLN  39  -5.514   4.852   7.792
  329   1HE2  GLN  39          1HE2      GLN  39  -8.052   4.412   5.545
  330   2HE2  GLN  39          2HE2      GLN  39  -8.994   5.754   5.988
  331    H    ARG  40           H        ARG  40  -2.451   5.376   4.201
  332    HA   ARG  40           HA       ARG  40  -1.867   7.997   3.239
  333   1HB   ARG  40          1HB       ARG  40  -0.534   5.291   3.142
  334   2HB   ARG  40          2HB       ARG  40   0.226   6.690   2.385
  335   1HG   ARG  40          1HG       ARG  40   1.125   6.962   4.475
  336   2HG   ARG  40          2HG       ARG  40  -0.414   7.767   4.782
  337   1HD   ARG  40          1HD       ARG  40  -1.353   5.760   5.757
  338   2HD   ARG  40          2HD       ARG  40   0.061   4.806   5.268
  339    HE   ARG  40           HE       ARG  40   1.355   5.910   6.966
  340   1HH1  ARG  40          1HH1      ARG  40  -1.561   5.653   8.147
  341   2HH1  ARG  40          2HH1      ARG  40  -1.660   7.171   8.975
  342   1HH2  ARG  40          1HH2      ARG  40   1.115   8.516   7.390
  343   2HH2  ARG  40          2HH2      ARG  40  -0.146   8.792   8.546
  344    H    VAL  41           H        VAL  41  -3.000   5.102   1.628
  345    HA   VAL  41           HA       VAL  41  -2.433   6.117  -1.080
  346    HB   VAL  41           HB       VAL  41  -3.712   3.685   0.182
  347   1HG1  VAL  41          1HG1      VAL  41  -5.019   4.219  -1.861
  348   2HG1  VAL  41          2HG1      VAL  41  -4.069   2.746  -2.053
  349   3HG1  VAL  41          3HG1      VAL  41  -3.522   4.251  -2.793
  350   1HG2  VAL  41          1HG2      VAL  41  -1.108   4.438  -0.744
  351   2HG2  VAL  41          2HG2      VAL  41  -1.696   3.123  -1.757
  352   3HG2  VAL  41          3HG2      VAL  41  -1.606   2.916  -0.010
  353    H    MET  42           H        MET  42  -5.125   5.908   1.180
  354    HA   MET  42           HA       MET  42  -7.225   6.567  -0.695
  355   1HB   MET  42          1HB       MET  42  -6.854   5.908   2.062
  356   2HB   MET  42          2HB       MET  42  -7.804   7.389   1.988
  357   1HG   MET  42          1HG       MET  42  -9.353   6.305   0.391
  358   2HG   MET  42          2HG       MET  42  -8.410   4.820   0.501
  359   1HE   MET  42          1HE       MET  42 -11.100   6.771   3.626
  360   2HE   MET  42          2HE       MET  42 -11.440   6.698   1.898
  361   3HE   MET  42          3HE       MET  42 -10.030   7.592   2.479
  362    H    GLU  43           H        GLU  43  -4.817   8.448   0.977
  363    HA   GLU  43           HA       GLU  43  -6.297  10.983   0.777
  364   1HB   GLU  43          1HB       GLU  43  -3.741   9.933   1.868
  365   2HB   GLU  43          2HB       GLU  43  -3.738  11.635   1.403
  366   1HG   GLU  43          1HG       GLU  43  -6.063  10.627   2.987
  367   2HG   GLU  43          2HG       GLU  43  -4.532  10.866   3.831
  368    H    SER  44           H        SER  44  -3.913   9.203  -1.095
  369    HA   SER  44           HA       SER  44  -2.860  11.339  -2.674
  370   1HB   SER  44          1HB       SER  44  -3.107   8.382  -2.777
  371   2HB   SER  44          2HB       SER  44  -2.798   9.176  -4.318
  372    HG   SER  44           HG       SER  44  -1.091  10.332  -3.090
  373    H    PHE  45           H        PHE  45  -5.411   8.979  -3.585
  374    HA   PHE  45           HA       PHE  45  -6.239  10.208  -5.982
  375   1HB   PHE  45          1HB       PHE  45  -7.764   8.664  -3.862
  376   2HB   PHE  45          2HB       PHE  45  -8.367   8.961  -5.492
  377    HD1  PHE  45           HD1      PHE  45  -7.116   6.418  -3.659
  378    HD2  PHE  45           HD2      PHE  45  -6.112   8.602  -7.245
  379    HE1  PHE  45           HE1      PHE  45  -5.850   4.447  -4.506
  380    HE2  PHE  45           HE2      PHE  45  -4.842   6.630  -8.090
  381    HZ   PHE  45           HZ       PHE  45  -4.715   4.550  -6.722
  382    H    LYS  46           H        LYS  46  -7.375  10.791  -2.645
  383    HA   LYS  46           HA       LYS  46  -9.511  12.547  -3.119
  384   1HB   LYS  46          1HB       LYS  46  -7.578  11.922  -0.999
  385   2HB   LYS  46          2HB       LYS  46  -8.202  13.568  -0.897
  386   1HG   LYS  46          1HG       LYS  46 -10.530  12.496  -1.233
  387   2HG   LYS  46          2HG       LYS  46  -9.739  10.974  -0.828
  388   1HD   LYS  46          1HD       LYS  46  -8.847  12.818   1.103
  389   2HD   LYS  46          2HD       LYS  46 -10.570  13.113   0.936
  390   1HE   LYS  46          1HE       LYS  46 -10.690  10.450   1.009
  391   2HE   LYS  46          2HE       LYS  46  -9.165  10.651   1.887
  392   1HZ   LYS  46          1HZ       LYS  46 -11.740  11.984   2.497
  393   2HZ   LYS  46          2HZ       LYS  46 -10.270  12.356   3.258
  394   3HZ   LYS  46          3HZ       LYS  46 -10.960  10.815   3.444
  395    H    LYS  47           H        LYS  47  -6.029  13.232  -3.171
  396    HA   LYS  47           HA       LYS  47  -6.041  16.045  -3.207
  397   1HB   LYS  47          1HB       LYS  47  -4.122  14.349  -3.185
  398   2HB   LYS  47          2HB       LYS  47  -4.301  14.274  -4.938
  399   1HG   LYS  47          1HG       LYS  47  -3.638  16.498  -5.235
  400   2HG   LYS  47          2HG       LYS  47  -4.035  16.940  -3.574
  401   1HD   LYS  47          1HD       LYS  47  -2.023  16.239  -2.771
  402   2HD   LYS  47          2HD       LYS  47  -1.974  14.838  -3.842
  403   1HE   LYS  47          1HE       LYS  47  -1.351  16.304  -5.740
  404   2HE   LYS  47          2HE       LYS  47  -1.382  17.709  -4.656
  405   1HZ   LYS  47          1HZ       LYS  47   0.304  15.284  -4.323
  406   2HZ   LYS  47          2HZ       LYS  47   0.233  16.583  -3.232
  407   3HZ   LYS  47          3HZ       LYS  47   0.854  16.815  -4.796
  408    H    GLU  48           H        GLU  48  -5.879  13.987  -6.149
  409    HA   GLU  48           HA       GLU  48  -6.429  16.085  -7.997
  410   1HB   GLU  48          1HB       GLU  48  -6.603  13.085  -7.954
  411   2HB   GLU  48          2HB       GLU  48  -7.207  13.961  -9.361
  412   1HG   GLU  48          1HG       GLU  48  -4.526  14.742  -8.314
  413   2HG   GLU  48          2HG       GLU  48  -4.645  13.202  -9.167
  414    H    GLY  49           H        GLY  49  -8.672  13.498  -6.922
  415   1HA   GLY  49          1HA       GLY  49 -10.890  14.475  -6.032
  416   2HA   GLY  49          2HA       GLY  49 -10.920  15.352  -7.561
  417    H    ARG  50           H        ARG  50  -9.827  12.002  -7.162
  418    HA   ARG  50           HA       ARG  50 -11.720  11.139  -9.240
  419   1HB   ARG  50          1HB       ARG  50  -9.726   9.605  -7.538
  420   2HB   ARG  50          2HB       ARG  50 -10.470   9.038  -9.033
  421   1HG   ARG  50          1HG       ARG  50  -9.443  11.377  -9.909
  422   2HG   ARG  50          2HG       ARG  50  -8.279  11.004  -8.639
  423   1HD   ARG  50          1HD       ARG  50  -7.444   9.176  -9.759
  424   2HD   ARG  50          2HD       ARG  50  -9.025   8.754 -10.447
  425    HE   ARG  50           HE       ARG  50  -7.094  10.618 -11.621
  426   1HH1  ARG  50          1HH1      ARG  50  -9.001   8.675 -13.033
  427   2HH1  ARG  50          2HH1      ARG  50 -10.090   9.785 -13.792
  428   1HH2  ARG  50          1HH2      ARG  50  -9.099  12.490 -11.863
  429   2HH2  ARG  50          2HH2      ARG  50 -10.140  11.946 -13.128
  430    H    ILE  51           H        ILE  51 -11.220  10.726  -5.759
  431    HA   ILE  51           HA       ILE  51 -13.940   9.470  -5.579
  432    HB   ILE  51           HB       ILE  51 -12.950   8.134  -3.703
  433   1HG1  ILE  51          1HG1      ILE  51 -10.240   9.013  -4.657
  434   2HG1  ILE  51          2HG1      ILE  51 -11.090   9.971  -3.443
  435   1HG2  ILE  51          1HG2      ILE  51 -12.610   6.599  -5.312
  436   2HG2  ILE  51          2HG2      ILE  51 -11.030   7.302  -5.640
  437   3HG2  ILE  51          3HG2      ILE  51 -12.450   7.880  -6.512
  438   1HD1  ILE  51          1HD1      ILE  51 -10.900   7.003  -3.068
  439   2HD1  ILE  51          2HD1      ILE  51 -11.010   8.277  -1.853
  440   3HD1  ILE  51          3HD1      ILE  51  -9.496   7.996  -2.702
  441    H    GLY  52           H        GLY  52 -14.260   9.505  -2.856
  442   1HA   GLY  52          1HA       GLY  52 -13.370  11.738  -1.397
  443   2HA   GLY  52          2HA       GLY  52 -14.790  12.278  -2.297
  444    H    ALA  53           H        ALA  53 -16.230   9.806  -2.219
  445    HA   ALA  53           HA       ALA  53 -16.700   9.445   0.719
  446   1HB   ALA  53          1HB       ALA  53 -19.030   9.826   0.387
  447   2HB   ALA  53          2HB       ALA  53 -18.880   9.662  -1.363
  448   3HB   ALA  53          3HB       ALA  53 -18.230  11.087  -0.554
  449   1H    MET   1          1H        MET   1  -0.352 -18.804  -8.781
  450   2H    MET   1          2H        MET   1  -1.415 -19.058  -7.480
  451   3H    MET   1          3H        MET   1  -0.941 -20.363  -8.461
  452    HA   MET   1           HA       MET   1   0.199 -20.157  -6.202
  453   1HB   MET   1          1HB       MET   1   1.213 -20.633  -8.950
  454   2HB   MET   1          2HB       MET   1   2.450 -20.490  -7.701
  455   1HG   MET   1          1HG       MET   1   0.034 -22.277  -7.381
  456   2HG   MET   1          2HG       MET   1   1.537 -22.845  -8.107
  457   1HE   MET   1          1HE       MET   1   0.600 -24.370  -6.362
  458   2HE   MET   1          2HE       MET   1   0.364 -23.950  -4.667
  459   3HE   MET   1          3HE       MET   1   1.871 -24.707  -5.179
  460    H    LYS   2           H        LYS   2   2.089 -18.432  -8.686
  461    HA   LYS   2           HA       LYS   2   2.939 -16.483  -6.594
  462   1HB   LYS   2          1HB       LYS   2   4.011 -17.591  -9.163
  463   2HB   LYS   2          2HB       LYS   2   4.566 -15.998  -8.647
  464   1HG   LYS   2          1HG       LYS   2   5.170 -16.978  -6.428
  465   2HG   LYS   2          2HG       LYS   2   4.732 -18.569  -7.050
  466   1HD   LYS   2          1HD       LYS   2   6.940 -18.657  -7.628
  467   2HD   LYS   2          2HD       LYS   2   6.397 -17.724  -9.023
  468   1HE   LYS   2          1HE       LYS   2   8.053 -16.284  -8.300
  469   2HE   LYS   2          2HE       LYS   2   6.758 -15.713  -7.229
  470   1HZ   LYS   2          1HZ       LYS   2   8.734 -17.844  -6.612
  471   2HZ   LYS   2          2HZ       LYS   2   7.440 -17.397  -5.606
  472   3HZ   LYS   2          3HZ       LYS   2   8.693 -16.294  -5.925
  473    H    GLY   3           H        GLY   3   0.327 -16.050  -7.532
  474   1HA   GLY   3          1HA       GLY   3  -0.918 -14.166  -8.229
  475   2HA   GLY   3          2HA       GLY   3   0.595 -13.382  -8.685
  476    H    MET   4           H        MET   4  -2.206 -14.569  -9.962
  477    HA   MET   4           HA       MET   4  -0.885 -15.119 -12.600
  478   1HB   MET   4          1HB       MET   4  -1.798 -17.139 -11.507
  479   2HB   MET   4          2HB       MET   4  -3.372 -16.356 -11.375
  480   1HG   MET   4          1HG       MET   4  -3.765 -16.456 -13.672
  481   2HG   MET   4          2HG       MET   4  -2.048 -16.556 -14.063
  482   1HE   MET   4          1HE       MET   4  -0.598 -18.161 -13.562
  483   2HE   MET   4          2HE       MET   4  -1.107 -19.200 -14.889
  484   3HE   MET   4          3HE       MET   4  -0.861 -19.889 -13.287
  485    H    SER   5           H        SER   5  -4.140 -14.385 -11.261
  486    HA   SER   5           HA       SER   5  -4.340 -12.054 -13.087
  487   1HB   SER   5          1HB       SER   5  -5.176 -14.520 -13.889
  488   2HB   SER   5          2HB       SER   5  -6.639 -13.909 -13.123
  489    HG   SER   5           HG       SER   5  -5.859 -13.381 -15.516
  490    H    LYS   6           H        LYS   6  -4.396 -12.739 -10.124
  491    HA   LYS   6           HA       LYS   6  -7.017 -11.427  -9.479
  492   1HB   LYS   6          1HB       LYS   6  -5.406 -13.543  -8.020
  493   2HB   LYS   6          2HB       LYS   6  -6.815 -12.739  -7.327
  494   1HG   LYS   6          1HG       LYS   6  -8.284 -13.871  -8.661
  495   2HG   LYS   6          2HG       LYS   6  -7.191 -13.860 -10.045
  496   1HD   LYS   6          1HD       LYS   6  -6.481 -15.941  -9.566
  497   2HD   LYS   6          2HD       LYS   6  -6.062 -15.459  -7.921
  498   1HE   LYS   6          1HE       LYS   6  -8.892 -15.586  -7.989
  499   2HE   LYS   6          2HE       LYS   6  -8.304 -17.052  -8.798
  500   1HZ   LYS   6          1HZ       LYS   6  -7.566 -16.036  -6.114
  501   2HZ   LYS   6          2HZ       LYS   6  -6.644 -17.208  -6.927
  502   3HZ   LYS   6          3HZ       LYS   6  -8.257 -17.534  -6.505
  503    H    MET   7           H        MET   7  -6.914 -10.173  -7.387
  504    HA   MET   7           HA       MET   7  -4.629  -8.376  -7.366
  505   1HB   MET   7          1HB       MET   7  -5.943  -7.309  -5.567
  506   2HB   MET   7          2HB       MET   7  -6.991  -7.745  -6.915
  507   1HG   MET   7          1HG       MET   7  -7.050 -10.034  -5.394
  508   2HG   MET   7          2HG       MET   7  -6.951  -8.780  -4.159
  509   1HE   MET   7          1HE       MET   7  -9.477  -8.663  -3.090
  510   2HE   MET   7          2HE       MET   7 -10.130  -7.220  -3.858
  511   3HE   MET   7          3HE       MET   7  -8.412  -7.310  -3.496
  512    HA   PRO   8           HA       PRO   8  -2.140 -10.302  -4.291
  513   1HB   PRO   8          1HB       PRO   8  -1.303  -8.189  -2.763
  514   2HB   PRO   8          2HB       PRO   8  -0.695  -8.501  -4.401
  515   1HG   PRO   8          1HG       PRO   8  -2.768  -6.570  -3.487
  516   2HG   PRO   8          2HG       PRO   8  -1.497  -6.365  -4.701
  517   1HD   PRO   8          1HD       PRO   8  -4.086  -6.853  -5.344
  518   2HD   PRO   8          2HD       PRO   8  -2.722  -7.385  -6.352
  519    H    GLN   9           H        GLN   9  -2.356 -11.188  -2.206
  520    HA   GLN   9           HA       GLN   9  -4.888 -11.018  -0.888
  521   1HB   GLN   9          1HB       GLN   9  -2.153 -12.019  -0.038
  522   2HB   GLN   9          2HB       GLN   9  -3.636 -12.336   0.864
  523   1HG   GLN   9          1HG       GLN   9  -4.475 -13.122  -1.557
  524   2HG   GLN   9          2HG       GLN   9  -2.749 -13.422  -1.769
  525   1HE2  GLN   9          1HE2      GLN   9  -5.609 -14.379   0.097
  526   2HE2  GLN   9          2HE2      GLN   9  -4.910 -15.762   0.789
  527    H    PHE  10           H        PHE  10  -2.137  -8.938  -0.710
  528    HA   PHE  10           HA       PHE  10  -2.440  -8.043   2.027
  529   1HB   PHE  10          1HB       PHE  10  -0.376  -7.798   0.741
  530   2HB   PHE  10          2HB       PHE  10  -1.207  -6.805  -0.456
  531    HD1  PHE  10           HD1      PHE  10  -1.422  -4.463  -0.160
  532    HD2  PHE  10           HD2      PHE  10  -0.298  -6.957   3.178
  533    HE1  PHE  10           HE1      PHE  10  -0.970  -2.428   1.206
  534    HE2  PHE  10           HE2      PHE  10   0.151  -4.922   4.546
  535    HZ   PHE  10           HZ       PHE  10  -0.184  -2.658   3.560
  536    H    LEU  11           H        LEU  11  -3.942  -7.166  -1.035
  537    HA   LEU  11           HA       LEU  11  -5.217  -4.766   0.160
  538   1HB   LEU  11          1HB       LEU  11  -5.244  -6.029  -2.601
  539   2HB   LEU  11          2HB       LEU  11  -6.020  -4.496  -2.198
  540    HG   LEU  11           HG       LEU  11  -3.086  -5.002  -1.678
  541   1HD1  LEU  11          1HD1      LEU  11  -4.026  -5.114  -4.175
  542   2HD1  LEU  11          2HD1      LEU  11  -2.515  -4.284  -3.797
  543   3HD1  LEU  11          3HD1      LEU  11  -4.004  -3.359  -3.997
  544   1HD2  LEU  11          1HD2      LEU  11  -4.443  -3.121  -0.546
  545   2HD2  LEU  11          2HD2      LEU  11  -4.529  -2.394  -2.150
  546   3HD2  LEU  11          3HD2      LEU  11  -2.963  -2.649  -1.382
  547    H    ASN  12           H        ASN  12  -5.903  -7.542   1.071
  548    HA   ASN  12           HA       ASN  12  -8.485  -8.273  -0.027
  549   1HB   ASN  12          1HB       ASN  12  -6.601  -9.483   1.469
  550   2HB   ASN  12          2HB       ASN  12  -7.683  -8.969   2.763
  551   1HD2  ASN  12          1HD2      ASN  12  -7.286 -11.234   0.140
  552   2HD2  ASN  12          2HD2      ASN  12  -8.773 -12.029   0.333
  553    H    ARG  13           H        ARG  13  -7.413  -6.006   2.414
  554    HA   ARG  13           HA       ARG  13 -10.100  -5.725   3.593
  555   1HB   ARG  13          1HB       ARG  13  -7.480  -5.396   4.438
  556   2HB   ARG  13          2HB       ARG  13  -8.056  -3.738   4.257
  557   1HG   ARG  13          1HG       ARG  13 -10.020  -4.277   5.651
  558   2HG   ARG  13          2HG       ARG  13  -9.427  -5.923   5.853
  559   1HD   ARG  13          1HD       ARG  13  -7.859  -5.288   7.392
  560   2HD   ARG  13          2HD       ARG  13  -7.476  -3.790   6.520
  561    HE   ARG  13           HE       ARG  13  -9.781  -2.990   7.385
  562   1HH1  ARG  13          1HH1      ARG  13  -7.219  -4.147   9.178
  563   2HH1  ARG  13          2HH1      ARG  13  -8.099  -4.339  10.658
  564   1HH2  ARG  13          1HH2      ARG  13 -11.190  -3.741   9.207
  565   2HH2  ARG  13          2HH2      ARG  13 -10.340  -4.106  10.675
  566    H    TRP  14           H        TRP  14  -8.204  -4.272   1.091
  567    HA   TRP  14           HA       TRP  14  -9.398  -1.656   1.066
  568   1HB   TRP  14          1HB       TRP  14  -7.965  -3.405  -0.940
  569   2HB   TRP  14          2HB       TRP  14  -8.452  -1.756  -1.295
  570    HD1  TRP  14           HD1      TRP  14  -7.099  -2.856   2.142
  571    HE1  TRP  14           HE1      TRP  14  -4.886  -1.611   2.571
  572    HE3  TRP  14           HE3      TRP  14  -6.551  -0.555  -2.355
  573    HZ2  TRP  14           HZ2      TRP  14  -3.091   0.160   1.167
  574    HZ3  TRP  14           HZ3      TRP  14  -4.581   0.914  -2.813
  575    HH2  TRP  14           HH2      TRP  14  -2.855   1.274  -1.049
  576    HA   PRO  15           HA       PRO  15 -13.330  -3.014  -0.517
  577   1HB   PRO  15          1HB       PRO  15 -14.310  -0.562  -1.245
  578   2HB   PRO  15          2HB       PRO  15 -14.270  -1.145   0.427
  579   1HG   PRO  15          1HG       PRO  15 -12.410   0.715  -0.969
  580   2HG   PRO  15          2HG       PRO  15 -13.050   0.793   0.680
  581   1HD   PRO  15          1HD       PRO  15 -10.550  -0.082   0.120
  582   2HD   PRO  15          2HD       PRO  15 -11.490  -0.690   1.498
  583    H    ARG  16           H        ARG  16 -14.550  -2.845  -2.607
  584    HA   ARG  16           HA       ARG  16 -12.860  -3.250  -4.863
  585   1HB   ARG  16          1HB       ARG  16 -15.020  -3.562  -5.926
  586   2HB   ARG  16          2HB       ARG  16 -15.070  -4.280  -4.336
  587   1HG   ARG  16          1HG       ARG  16 -16.170  -2.238  -3.468
  588   2HG   ARG  16          2HG       ARG  16 -16.150  -1.547  -5.091
  589   1HD   ARG  16          1HD       ARG  16 -17.290  -4.201  -5.199
  590   2HD   ARG  16          2HD       ARG  16 -18.150  -3.222  -3.996
  591    HE   ARG  16           HE       ARG  16 -17.660  -1.622  -6.320
  592   1HH1  ARG  16          1HH1      ARG  16 -20.060  -3.134  -4.592
  593   2HH1  ARG  16          2HH1      ARG  16 -21.140  -3.357  -5.923
  594   1HH2  ARG  16          1HH2      ARG  16 -18.820  -2.399  -8.317
  595   2HH2  ARG  16          2HH2      ARG  16 -20.440  -2.938  -8.033
  596    H    GLU  17           H        GLU  17 -14.520  -0.427  -3.590
  597    HA   GLU  17           HA       GLU  17 -14.590   1.144  -5.987
  598   1HB   GLU  17          1HB       GLU  17 -14.930   1.445  -3.073
  599   2HB   GLU  17          2HB       GLU  17 -14.400   2.916  -3.891
  600   1HG   GLU  17          1HG       GLU  17 -16.310   2.980  -5.272
  601   2HG   GLU  17          2HG       GLU  17 -16.680   1.277  -4.995
  602    H    VAL  18           H        VAL  18 -12.270   1.178  -3.256
  603    HA   VAL  18           HA       VAL  18 -10.470   3.066  -4.481
  604    HB   VAL  18           HB       VAL  18 -10.020   0.921  -2.371
  605   1HG1  VAL  18          1HG1      VAL  18  -8.126   2.199  -1.682
  606   2HG1  VAL  18          2HG1      VAL  18  -8.556   3.542  -2.741
  607   3HG1  VAL  18          3HG1      VAL  18  -7.980   2.024  -3.430
  608   1HG2  VAL  18          1HG2      VAL  18 -11.890   2.405  -1.792
  609   2HG2  VAL  18          2HG2      VAL  18 -10.900   3.821  -2.168
  610   3HG2  VAL  18          3HG2      VAL  18 -10.490   2.801  -0.793
  611    H    LEU  19           H        LEU  19 -10.560  -0.492  -4.413
  612    HA   LEU  19           HA       LEU  19  -8.043  -0.930  -5.703
  613   1HB   LEU  19          1HB       LEU  19 -10.560  -2.440  -5.153
  614   2HB   LEU  19          2HB       LEU  19  -9.409  -3.143  -6.285
  615    HG   LEU  19           HG       LEU  19  -8.641  -2.150  -3.529
  616   1HD1  LEU  19          1HD1      LEU  19 -10.090  -3.960  -3.071
  617   2HD1  LEU  19          2HD1      LEU  19  -8.491  -4.694  -3.088
  618   3HD1  LEU  19          3HD1      LEU  19  -9.553  -4.863  -4.486
  619   1HD2  LEU  19          1HD2      LEU  19  -7.275  -3.540  -5.803
  620   2HD2  LEU  19          2HD2      LEU  19  -6.774  -3.938  -4.160
  621   3HD2  LEU  19          3HD2      LEU  19  -6.665  -2.274  -4.737
  622    H    ASP  20           H        ASP  20 -11.260  -0.223  -6.963
  623    HA   ASP  20           HA       ASP  20 -10.780  -1.015  -9.690
  624   1HB   ASP  20          1HB       ASP  20 -12.890  -0.124  -8.183
  625   2HB   ASP  20          2HB       ASP  20 -12.550   1.302  -9.157
  626    H    LEU  21           H        LEU  21  -9.971   1.820  -7.813
  627    HA   LEU  21           HA       LEU  21  -9.243   3.457 -10.146
  628   1HB   LEU  21          1HB       LEU  21 -10.210   4.402  -8.092
  629   2HB   LEU  21          2HB       LEU  21  -8.881   3.747  -7.145
  630    HG   LEU  21           HG       LEU  21  -7.286   5.171  -8.315
  631   1HD1  LEU  21          1HD1      LEU  21  -9.679   5.737 -10.035
  632   2HD1  LEU  21          2HD1      LEU  21  -8.010   5.427 -10.514
  633   3HD1  LEU  21          3HD1      LEU  21  -8.455   6.991  -9.833
  634   1HD2  LEU  21          1HD2      LEU  21  -8.338   6.180  -6.396
  635   2HD2  LEU  21          2HD2      LEU  21  -9.773   6.592  -7.330
  636   3HD2  LEU  21          3HD2      LEU  21  -8.248   7.416  -7.651
  637    H    VAL  22           H        VAL  22  -7.593   1.618  -7.586
  638    HA   VAL  22           HA       VAL  22  -4.911   2.378  -8.153
  639    HB   VAL  22           HB       VAL  22  -6.012  -0.281  -7.183
  640   1HG1  VAL  22          1HG1      VAL  22  -3.537  -0.073  -7.783
  641   2HG1  VAL  22          2HG1      VAL  22  -3.890  -0.588  -6.134
  642   3HG1  VAL  22          3HG1      VAL  22  -3.409   1.079  -6.453
  643   1HG2  VAL  22          1HG2      VAL  22  -6.817   0.859  -5.412
  644   2HG2  VAL  22          2HG2      VAL  22  -6.171   2.374  -6.047
  645   3HG2  VAL  22          3HG2      VAL  22  -5.167   1.345  -5.027
  646    H    ARG  23           H        ARG  23  -6.826  -0.389  -9.384
  647    HA   ARG  23           HA       ARG  23  -4.778  -1.534 -11.004
  648   1HB   ARG  23          1HB       ARG  23  -6.668  -2.706 -12.050
  649   2HB   ARG  23          2HB       ARG  23  -6.912  -2.605 -10.306
  650   1HG   ARG  23          1HG       ARG  23  -8.500  -0.834 -10.535
  651   2HG   ARG  23          2HG       ARG  23  -8.069  -0.571 -12.223
  652   1HD   ARG  23          1HD       ARG  23 -10.100  -1.817 -12.304
  653   2HD   ARG  23          2HD       ARG  23  -8.837  -3.021 -12.601
  654    HE   ARG  23           HE       ARG  23  -9.126  -2.895  -9.812
  655   1HH1  ARG  23          1HH1      ARG  23 -11.940  -2.524 -11.324
  656   2HH1  ARG  23          2HH1      ARG  23 -12.580  -4.109 -11.040
  657   1HH2  ARG  23          1HH2      ARG  23  -9.558  -5.426  -9.974
  658   2HH2  ARG  23          2HH2      ARG  23 -11.230  -5.753 -10.278
  659    H    LYS  24           H        LYS  24  -6.950   1.179 -11.596
  660    HA   LYS  24           HA       LYS  24  -6.316   1.274 -14.472
  661   1HB   LYS  24          1HB       LYS  24  -8.225   2.380 -12.586
  662   2HB   LYS  24          2HB       LYS  24  -7.561   3.652 -13.609
  663   1HG   LYS  24          1HG       LYS  24  -8.065   1.423 -15.296
  664   2HG   LYS  24          2HG       LYS  24  -9.497   1.637 -14.290
  665   1HD   LYS  24          1HD       LYS  24  -9.996   3.682 -15.195
  666   2HD   LYS  24          2HD       LYS  24  -8.300   4.111 -15.423
  667   1HE   LYS  24          1HE       LYS  24  -8.134   2.821 -17.425
  668   2HE   LYS  24          2HE       LYS  24  -9.662   1.979 -17.096
  669   1HZ   LYS  24          1HZ       LYS  24 -10.140   3.715 -18.623
  670   2HZ   LYS  24          2HZ       LYS  24  -9.282   4.859 -17.712
  671   3HZ   LYS  24          3HZ       LYS  24 -10.730   4.219 -17.115
  672    H    VAL  25           H        VAL  25  -5.087   2.600 -11.505
  673    HA   VAL  25           HA       VAL  25  -3.684   4.840 -12.811
  674    HB   VAL  25           HB       VAL  25  -3.700   3.681 -10.005
  675   1HG1  VAL  25          1HG1      VAL  25  -1.635   5.045 -10.749
  676   2HG1  VAL  25          2HG1      VAL  25  -2.469   5.569  -9.287
  677   3HG1  VAL  25          3HG1      VAL  25  -2.730   6.424 -10.807
  678   1HG2  VAL  25          1HG2      VAL  25  -4.863   6.336 -10.679
  679   2HG2  VAL  25          2HG2      VAL  25  -5.429   5.118  -9.537
  680   3HG2  VAL  25          3HG2      VAL  25  -5.743   4.922 -11.263
  681    H    ALA  26           H        ALA  26  -3.043   1.533 -11.869
  682    HA   ALA  26           HA       ALA  26  -0.148   1.732 -11.807
  683   1HB   ALA  26          1HB       ALA  26  -1.036  -0.888 -12.482
  684   2HB   ALA  26          2HB       ALA  26  -2.253  -0.194 -11.411
  685   3HB   ALA  26          3HB       ALA  26  -0.572  -0.292 -10.889
  686    H    GLU  27           H        GLU  27  -2.575   1.024 -14.280
  687    HA   GLU  27           HA       GLU  27  -0.591   0.303 -16.313
  688   1HB   GLU  27          1HB       GLU  27  -3.075  -0.446 -15.938
  689   2HB   GLU  27          2HB       GLU  27  -3.470   1.047 -16.788
  690   1HG   GLU  27          1HG       GLU  27  -1.472  -0.038 -18.361
  691   2HG   GLU  27          2HG       GLU  27  -2.374  -1.461 -17.837
  692    H    GLU  28           H        GLU  28  -1.785   3.239 -15.027
  693    HA   GLU  28           HA       GLU  28  -1.603   4.777 -17.534
  694   1HB   GLU  28          1HB       GLU  28  -2.451   5.130 -14.720
  695   2HB   GLU  28          2HB       GLU  28  -1.783   6.574 -15.481
  696   1HG   GLU  28          1HG       GLU  28  -3.816   4.925 -16.958
  697   2HG   GLU  28          2HG       GLU  28  -4.349   6.062 -15.720
  698    H    ASN  29           H        ASN  29   0.055   5.015 -14.357
  699    HA   ASN  29           HA       ASN  29   2.150   6.728 -15.209
  700   1HB   ASN  29          1HB       ASN  29   1.816   4.666 -13.028
  701   2HB   ASN  29          2HB       ASN  29   3.298   5.612 -13.169
  702   1HD2  ASN  29          1HD2      ASN  29   2.507   6.481 -10.965
  703   2HD2  ASN  29          2HD2      ASN  29   1.424   7.788 -10.985
  704    H    GLY  30           H        GLY  30   1.787   3.228 -15.478
  705   1HA   GLY  30          1HA       GLY  30   2.984   2.047 -17.268
  706   2HA   GLY  30          2HA       GLY  30   4.321   3.179 -17.057
  707    H    ARG  31           H        ARG  31   2.612   1.666 -14.375
  708    HA   ARG  31           HA       ARG  31   4.985  -0.096 -13.880
  709   1HB   ARG  31          1HB       ARG  31   3.564   1.621 -11.816
  710   2HB   ARG  31          2HB       ARG  31   5.035   0.680 -11.577
  711   1HG   ARG  31          1HG       ARG  31   6.099   2.113 -13.397
  712   2HG   ARG  31          2HG       ARG  31   4.681   3.156 -13.277
  713   1HD   ARG  31          1HD       ARG  31   5.150   3.370 -10.795
  714   2HD   ARG  31          2HD       ARG  31   6.689   2.536 -11.087
  715    HE   ARG  31           HE       ARG  31   5.941   5.195 -12.201
  716   1HH1  ARG  31          1HH1      ARG  31   7.610   3.545 -14.090
  717   2HH1  ARG  31          2HH1      ARG  31   9.217   4.015 -13.645
  718   1HH2  ARG  31          1HH2      ARG  31   8.257   5.407 -10.618
  719   2HH2  ARG  31          2HH2      ARG  31   9.584   5.071 -11.681
  720    H    SER  32           H        SER  32   4.122  -1.179 -11.481
  721    HA   SER  32           HA       SER  32   1.713  -2.706 -12.325
  722   1HB   SER  32          1HB       SER  32   4.133  -3.499 -11.416
  723   2HB   SER  32          2HB       SER  32   3.291  -3.351  -9.878
  724    HG   SER  32           HG       SER  32   2.823  -5.062 -12.042
  725    H    VAL  33           H        VAL  33   0.563  -3.443 -10.015
  726    HA   VAL  33           HA       VAL  33  -0.573  -0.943  -9.005
  727    HB   VAL  33           HB       VAL  33  -1.057  -3.896  -8.542
  728   1HG1  VAL  33          1HG1      VAL  33  -2.099  -1.501  -7.186
  729   2HG1  VAL  33          2HG1      VAL  33  -2.126  -3.185  -6.670
  730   3HG1  VAL  33          3HG1      VAL  33  -3.346  -2.588  -7.793
  731   1HG2  VAL  33          1HG2      VAL  33  -1.548  -3.031 -10.797
  732   2HG2  VAL  33          2HG2      VAL  33  -2.534  -1.747 -10.098
  733   3HG2  VAL  33          3HG2      VAL  33  -3.043  -3.432  -9.950
  734    H    ASN  34           H        ASN  34   1.945  -3.107  -8.065
  735    HA   ASN  34           HA       ASN  34   1.802  -2.516  -5.181
  736   1HB   ASN  34          1HB       ASN  34   2.706  -4.631  -6.279
  737   2HB   ASN  34          2HB       ASN  34   4.067  -3.664  -6.851
  738   1HD2  ASN  34          1HD2      ASN  34   5.507  -5.012  -5.459
  739   2HD2  ASN  34          2HD2      ASN  34   5.573  -4.726  -3.788
  740    H    SER  35           H        SER  35   3.483  -1.359  -8.060
  741    HA   SER  35           HA       SER  35   5.296   0.417  -6.615
  742   1HB   SER  35          1HB       SER  35   5.125  -0.688  -9.132
  743   2HB   SER  35          2HB       SER  35   4.615   0.968  -9.440
  744    HG   SER  35           HG       SER  35   6.963   0.468  -9.490
  745    H    GLU  36           H        GLU  36   2.192   0.733  -8.358
  746    HA   GLU  36           HA       GLU  36   1.902   3.556  -8.203
  747   1HB   GLU  36          1HB       GLU  36   0.555   1.817  -9.479
  748   2HB   GLU  36          2HB       GLU  36  -0.237   1.417  -7.955
  749   1HG   GLU  36          1HG       GLU  36  -0.360   4.206  -8.109
  750   2HG   GLU  36          2HG       GLU  36  -0.720   3.649  -9.741
  751    H    ILE  37           H        ILE  37   0.699   0.999  -6.006
  752    HA   ILE  37           HA       ILE  37  -0.352   2.748  -3.997
  753    HB   ILE  37           HB       ILE  37   0.734  -0.088  -3.937
  754   1HG1  ILE  37          1HG1      ILE  37  -1.159   0.353  -5.500
  755   2HG1  ILE  37          2HG1      ILE  37  -1.612  -0.729  -4.183
  756   1HG2  ILE  37          1HG2      ILE  37  -1.175   0.054  -1.977
  757   2HG2  ILE  37          2HG2      ILE  37  -0.409   1.637  -1.833
  758   3HG2  ILE  37          3HG2      ILE  37   0.562   0.171  -1.683
  759   1HD1  ILE  37          1HD1      ILE  37  -3.382   0.890  -4.417
  760   2HD1  ILE  37          2HD1      ILE  37  -2.231   2.227  -4.422
  761   3HD1  ILE  37          3HD1      ILE  37  -2.494   1.296  -2.947
  762    H    TYR  38           H        TYR  38   2.896   1.657  -4.730
  763    HA   TYR  38           HA       TYR  38   4.063   2.237  -2.141
  764   1HB   TYR  38          1HB       TYR  38   5.005   0.646  -3.737
  765   2HB   TYR  38          2HB       TYR  38   5.171   1.916  -4.948
  766    HD1  TYR  38           HD1      TYR  38   7.356   2.623  -5.253
  767    HD2  TYR  38           HD2      TYR  38   6.012   1.561  -1.301
  768    HE1  TYR  38           HE1      TYR  38   9.603   3.209  -4.337
  769    HE2  TYR  38           HE2      TYR  38   8.254   2.142  -0.375
  770    HH   TYR  38           HH       TYR  38  10.655   3.795  -2.275
  771    H    GLN  39           H        GLN  39   3.452   4.102  -5.080
  772    HA   GLN  39           HA       GLN  39   5.173   6.339  -4.307
  773   1HB   GLN  39          1HB       GLN  39   2.996   5.898  -6.374
  774   2HB   GLN  39          2HB       GLN  39   3.922   7.395  -6.256
  775   1HG   GLN  39          1HG       GLN  39   5.294   4.716  -6.470
  776   2HG   GLN  39          2HG       GLN  39   4.780   5.604  -7.906
  777   1HE2  GLN  39          1HE2      GLN  39   7.316   5.293  -5.634
  778   2HE2  GLN  39          2HE2      GLN  39   8.152   6.717  -6.019
  779    H    ARG  40           H        ARG  40   1.645   5.741  -4.352
  780    HA   ARG  40           HA       ARG  40   0.821   8.259  -3.302
  781   1HB   ARG  40          1HB       ARG  40  -0.264   5.442  -3.317
  782   2HB   ARG  40          2HB       ARG  40  -1.154   6.741  -2.522
  783   1HG   ARG  40          1HG       ARG  40  -2.055   7.000  -4.615
  784   2HG   ARG  40          2HG       ARG  40  -0.596   7.956  -4.872
  785   1HD   ARG  40          1HD       ARG  40   0.538   6.076  -5.900
  786   2HD   ARG  40          2HD       ARG  40  -0.791   4.982  -5.472
  787    HE   ARG  40           HE       ARG  40  -2.155   6.035  -7.147
  788   1HH1  ARG  40          1HH1      ARG  40   0.788   6.070  -8.288
  789   2HH1  ARG  40          2HH1      ARG  40   0.769   7.621  -9.058
  790   1HH2  ARG  40          1HH2      ARG  40  -2.132   8.667  -7.470
  791   2HH2  ARG  40          2HH2      ARG  40  -0.887   9.092  -8.595
  792    H    VAL  41           H        VAL  41   2.167   5.405  -1.782
  793    HA   VAL  41           HA       VAL  41   1.503   6.267   0.955
  794    HB   VAL  41           HB       VAL  41   2.983   4.000  -0.391
  795   1HG1  VAL  41          1HG1      VAL  41   4.222   4.575   1.698
  796   2HG1  VAL  41          2HG1      VAL  41   3.432   3.001   1.791
  797   3HG1  VAL  41          3HG1      VAL  41   2.721   4.396   2.606
  798   1HG2  VAL  41          1HG2      VAL  41   0.324   4.504   0.532
  799   2HG2  VAL  41          2HG2      VAL  41   1.007   3.210   1.512
  800   3HG2  VAL  41          3HG2      VAL  41   0.950   3.051  -0.240
  801    H    MET  42           H        MET  42   4.223   6.384  -1.279
  802    HA   MET  42           HA       MET  42   6.235   7.145   0.661
  803   1HB   MET  42          1HB       MET  42   5.967   6.545  -2.120
  804   2HB   MET  42          2HB       MET  42   6.788   8.100  -1.985
  805   1HG   MET  42          1HG       MET  42   8.395   7.099  -0.389
  806   2HG   MET  42          2HG       MET  42   7.584   5.543  -0.566
  807   1HE   MET  42          1HE       MET  42  10.139   7.822  -3.586
  808   2HE   MET  42          2HE       MET  42  10.463   7.727  -1.856
  809   3HE   MET  42          3HE       MET  42   8.990   8.507  -2.429
  810    H    GLU  43           H        GLU  43   3.694   8.872  -0.973
  811    HA   GLU  43           HA       GLU  43   4.961  11.513  -0.675
  812   1HB   GLU  43          1HB       GLU  43   2.510  10.296  -1.834
  813   2HB   GLU  43          2HB       GLU  43   2.361  11.973  -1.310
  814   1HG   GLU  43          1HG       GLU  43   4.777  11.219  -2.902
  815   2HG   GLU  43          2HG       GLU  43   3.238  11.364  -3.753
  816    H    SER  44           H        SER  44   2.710   9.474   1.092
  817    HA   SER  44           HA       SER  44   1.463  11.446   2.737
  818   1HB   SER  44          1HB       SER  44   1.967   8.520   2.735
  819   2HB   SER  44          2HB       SER  44   1.575   9.225   4.301
  820    HG   SER  44           HG       SER  44  -0.214  10.274   3.092
  821    H    PHE  45           H        PHE  45   4.201   9.285   3.601
  822    HA   PHE  45           HA       PHE  45   4.889  10.496   6.053
  823   1HB   PHE  45          1HB       PHE  45   6.574   9.164   3.909
  824   2HB   PHE  45          2HB       PHE  45   7.125   9.458   5.559
  825    HD1  PHE  45           HD1      PHE  45   6.097   6.891   3.606
  826    HD2  PHE  45           HD2      PHE  45   4.921   8.832   7.278
  827    HE1  PHE  45           HE1      PHE  45   4.994   4.790   4.364
  828    HE2  PHE  45           HE2      PHE  45   3.815   6.730   8.034
  829    HZ   PHE  45           HZ       PHE  45   3.858   4.708   6.579
  830    H    LYS  46           H        LYS  46   6.002  11.294   2.757
  831    HA   LYS  46           HA       LYS  46   7.979  13.205   3.322
  832   1HB   LYS  46          1HB       LYS  46   6.131  12.495   1.154
  833   2HB   LYS  46          2HB       LYS  46   6.616  14.190   1.120
  834   1HG   LYS  46          1HG       LYS  46   9.024  13.307   1.456
  835   2HG   LYS  46          2HG       LYS  46   8.368  11.739   0.986
  836   1HD   LYS  46          1HD       LYS  46   7.347  13.569  -0.895
  837   2HD   LYS  46          2HD       LYS  46   9.045  14.003  -0.690
  838   1HE   LYS  46          1HE       LYS  46   9.388  11.364  -0.853
  839   2HE   LYS  46          2HE       LYS  46   7.857  11.464  -1.745
  840   1HZ   LYS  46          1HZ       LYS  46  10.327  13.031  -2.274
  841   2HZ   LYS  46          2HZ       LYS  46   8.836  13.305  -3.042
  842   3HZ   LYS  46          3HZ       LYS  46   9.657  11.835  -3.272
  843    H    LYS  47           H        LYS  47   4.451  13.596   3.339
  844    HA   LYS  47           HA       LYS  47   4.225  16.395   3.480
  845   1HB   LYS  47          1HB       LYS  47   2.455  14.547   3.368
  846   2HB   LYS  47          2HB       LYS  47   2.621  14.421   5.119
  847   1HG   LYS  47          1HG       LYS  47   1.771  16.572   5.487
  848   2HG   LYS  47          2HG       LYS  47   2.147  17.104   3.848
  849   1HD   LYS  47          1HD       LYS  47   0.211  16.263   2.991
  850   2HD   LYS  47          2HD       LYS  47   0.269  14.828   4.015
  851   1HE   LYS  47          1HE       LYS  47  -0.504  16.166   5.950
  852   2HE   LYS  47          2HE       LYS  47  -0.577  17.606   4.915
  853   1HZ   LYS  47          1HZ       LYS  47  -2.045  15.060   4.471
  854   2HZ   LYS  47          2HZ       LYS  47  -2.067  16.398   3.424
  855   3HZ   LYS  47          3HZ       LYS  47  -2.730  16.524   4.983
  856    H    GLU  48           H        GLU  48   4.199  14.225   6.344
  857    HA   GLU  48           HA       GLU  48   4.549  16.296   8.270
  858   1HB   GLU  48          1HB       GLU  48   4.969  13.324   8.131
  859   2HB   GLU  48          2HB       GLU  48   5.481  14.198   9.575
  860   1HG   GLU  48          1HG       GLU  48   2.760  14.797   8.512
  861   2HG   GLU  48          2HG       GLU  48   2.990  13.241   9.311
  862    H    GLY  49           H        GLY  49   7.017  13.945   7.144
  863   1HA   GLY  49          1HA       GLY  49   9.161  15.144   6.328
  864   2HA   GLY  49          2HA       GLY  49   9.092  15.959   7.889
  865    H    ARG  50           H        ARG  50   8.289  12.542   7.359
  866    HA   ARG  50           HA       ARG  50  10.235  11.771   9.427
  867   1HB   ARG  50          1HB       ARG  50   8.407  10.121   7.647
  868   2HB   ARG  50          2HB       ARG  50   9.173   9.580   9.141
  869   1HG   ARG  50          1HG       ARG  50   7.921  11.787  10.063
  870   2HG   ARG  50          2HG       ARG  50   6.820  11.354   8.756
  871   1HD   ARG  50          1HD       ARG  50   6.123   9.431   9.806
  872   2HD   ARG  50          2HD       ARG  50   7.723   9.116  10.505
  873    HE   ARG  50           HE       ARG  50   5.629  10.771  11.711
  874   1HH1  ARG  50          1HH1      ARG  50   7.677   8.948  13.088
  875   2HH1  ARG  50          2HH1      ARG  50   8.660  10.121  13.901
  876   1HH2  ARG  50          1HH2      ARG  50   7.463  12.798  12.049
  877   2HH2  ARG  50          2HH2      ARG  50   8.538  12.299  13.313
  878    H    ILE  51           H        ILE  51   9.809  11.443   5.927
  879    HA   ILE  51           HA       ILE  51  12.628  10.430   5.742
  880    HB   ILE  51           HB       ILE  51  11.779   9.085   3.806
  881   1HG1  ILE  51          1HG1      ILE  51   8.990   9.700   4.753
  882   2HG1  ILE  51          2HG1      ILE  51   9.767  10.766   3.582
  883   1HG2  ILE  51          1HG2      ILE  51  11.560   7.475   5.362
  884   2HG2  ILE  51          2HG2      ILE  51   9.914   8.020   5.681
  885   3HG2  ILE  51          3HG2      ILE  51  11.260   8.694   6.600
  886   1HD1  ILE  51          1HD1      ILE  51   9.829   7.806   3.109
  887   2HD1  ILE  51          2HD1      ILE  51   9.855   9.124   1.939
  888   3HD1  ILE  51          3HD1      ILE  51   8.349   8.698   2.753
  889    H    GLY  52           H        GLY  52  12.979  10.588   3.029
  890   1HA   GLY  52          1HA       GLY  52  11.918  12.791   1.635
  891   2HA   GLY  52          2HA       GLY  52  13.276  13.412   2.571
  892    H    ALA  53           H        ALA  53  14.923  11.077   2.435
  893    HA   ALA  53           HA       ALA  53  15.455  10.855  -0.507
  894   1HB   ALA  53          1HB       ALA  53  17.737  11.416  -0.125
  895   2HB   ALA  53          2HB       ALA  53  17.585  11.178   1.616
  896   3HB   ALA  53          3HB       ALA  53  16.829  12.574   0.846
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   1.017 -18.132  19.801
    2   2H    MET   1          2H        MET   1   2.210 -18.360  18.614
    3   3H    MET   1          3H        MET   1   1.215 -19.655  19.082
    4    HA   MET   1           HA       MET   1   0.303 -18.971  17.049
    5   1HB   MET   1          1HB       MET   1  -0.953 -18.333  19.620
    6   2HB   MET   1          2HB       MET   1  -1.663 -17.432  18.279
    7   1HG   MET   1          1HG       MET   1  -1.137 -20.333  17.836
    8   2HG   MET   1          2HG       MET   1  -2.474 -19.911  18.907
    9   1HE   MET   1          1HE       MET   1  -2.139 -20.722  14.992
   10   2HE   MET   1          2HE       MET   1  -3.761 -21.104  15.564
   11   3HE   MET   1          3HE       MET   1  -2.366 -21.509  16.560
   12    H    LYS   2           H        LYS   2   1.218 -16.250  19.121
   13    HA   LYS   2           HA       LYS   2   0.976 -14.420  16.756
   14   1HB   LYS   2          1HB       LYS   2  -0.244 -14.199  19.121
   15   2HB   LYS   2          2HB       LYS   2   1.299 -13.478  19.580
   16   1HG   LYS   2          1HG       LYS   2   0.827 -11.575  18.469
   17   2HG   LYS   2          2HG       LYS   2   0.398 -12.466  17.009
   18   1HD   LYS   2          1HD       LYS   2  -1.650 -11.500  17.541
   19   2HD   LYS   2          2HD       LYS   2  -1.787 -13.046  18.378
   20   1HE   LYS   2          1HE       LYS   2  -1.401 -12.085  20.490
   21   2HE   LYS   2          2HE       LYS   2  -0.615 -10.653  19.796
   22   1HZ   LYS   2          1HZ       LYS   2  -2.795 -10.199  18.667
   23   2HZ   LYS   2          2HZ       LYS   2  -2.801  -9.994  20.353
   24   3HZ   LYS   2          3HZ       LYS   2  -3.486 -11.386  19.661
   25    H    GLY   3           H        GLY   3   2.680 -12.553  16.964
   26   1HA   GLY   3          1HA       GLY   3   4.921 -11.846  17.342
   27   2HA   GLY   3          2HA       GLY   3   5.216 -13.343  18.226
   28    H    MET   4           H        MET   4   3.865 -13.082  14.961
   29    HA   MET   4           HA       MET   4   6.149 -14.736  13.977
   30   1HB   MET   4          1HB       MET   4   3.345 -14.843  13.743
   31   2HB   MET   4          2HB       MET   4   3.922 -14.339  12.154
   32   1HG   MET   4          1HG       MET   4   4.948 -16.337  11.750
   33   2HG   MET   4          2HG       MET   4   5.471 -16.519  13.425
   34   1HE   MET   4          1HE       MET   4   2.337 -18.698  11.303
   35   2HE   MET   4          2HE       MET   4   4.071 -18.965  11.467
   36   3HE   MET   4          3HE       MET   4   3.480 -17.492  10.702
   37    H    SER   5           H        SER   5   5.907 -14.143  11.246
   38    HA   SER   5           HA       SER   5   7.273 -11.547  11.113
   39   1HB   SER   5          1HB       SER   5   6.617 -13.826   9.261
   40   2HB   SER   5          2HB       SER   5   7.223 -12.310   8.600
   41    HG   SER   5           HG       SER   5   8.681 -14.194   9.489
   42    H    LYS   6           H        LYS   6   6.411  -9.654  10.228
   43    HA   LYS   6           HA       LYS   6   3.514  -9.752   9.466
   44   1HB   LYS   6          1HB       LYS   6   5.243  -7.542  10.623
   45   2HB   LYS   6          2HB       LYS   6   3.526  -7.390  10.257
   46   1HG   LYS   6          1HG       LYS   6   3.583  -9.683  11.777
   47   2HG   LYS   6          2HG       LYS   6   4.843  -8.708  12.535
   48   1HD   LYS   6          1HD       LYS   6   2.470  -7.135  11.880
   49   2HD   LYS   6          2HD       LYS   6   2.108  -8.461  12.982
   50   1HE   LYS   6          1HE       LYS   6   4.504  -6.688  13.472
   51   2HE   LYS   6          2HE       LYS   6   2.888  -6.213  14.034
   52   1HZ   LYS   6          1HZ       LYS   6   3.898  -7.522  15.739
   53   2HZ   LYS   6          2HZ       LYS   6   4.318  -8.745  14.637
   54   3HZ   LYS   6          3HZ       LYS   6   2.686  -8.465  15.019
   55    H    MET   7           H        MET   7   5.621 -10.297   7.558
   56    HA   MET   7           HA       MET   7   5.618  -7.809   5.892
   57   1HB   MET   7          1HB       MET   7   7.443 -10.135   6.316
   58   2HB   MET   7          2HB       MET   7   7.432  -9.389   4.718
   59   1HG   MET   7          1HG       MET   7   7.619  -7.143   6.044
   60   2HG   MET   7          2HG       MET   7   8.179  -8.172   7.363
   61   1HE   MET   7          1HE       MET   7   9.778  -6.356   3.960
   62   2HE   MET   7          2HE       MET   7   8.229  -7.197   3.926
   63   3HE   MET   7          3HE       MET   7   9.635  -7.920   3.149
   64    HA   PRO   8           HA       PRO   8   2.634 -10.373   3.630
   65   1HB   PRO   8          1HB       PRO   8   1.646  -8.326   2.104
   66   2HB   PRO   8          2HB       PRO   8   1.109  -8.638   3.766
   67   1HG   PRO   8          1HG       PRO   8   3.045  -6.619   2.752
   68   2HG   PRO   8          2HG       PRO   8   1.815  -6.467   4.017
   69   1HD   PRO   8          1HD       PRO   8   4.460  -6.823   4.545
   70   2HD   PRO   8          2HD       PRO   8   3.165  -7.387   5.625
   71    H    GLN   9           H        GLN   9   2.631 -11.104   1.415
   72    HA   GLN   9           HA       GLN   9   5.159 -10.972   0.050
   73   1HB   GLN   9          1HB       GLN   9   2.413 -12.071  -0.403
   74   2HB   GLN   9          2HB       GLN   9   3.510 -12.002  -1.784
   75   1HG   GLN   9          1HG       GLN   9   3.791 -14.156  -0.707
   76   2HG   GLN   9          2HG       GLN   9   5.232 -13.189  -0.387
   77   1HE2  GLN   9          1HE2      GLN   9   5.552 -12.383   1.804
   78   2HE2  GLN   9          2HE2      GLN   9   4.638 -12.969   3.109
   79    H    PHE  10           H        PHE  10   2.369  -8.910  -0.010
   80    HA   PHE  10           HA       PHE  10   2.734  -7.861  -2.701
   81   1HB   PHE  10          1HB       PHE  10   0.589  -7.837  -1.528
   82   2HB   PHE  10          2HB       PHE  10   1.286  -6.871  -0.226
   83    HD1  PHE  10           HD1      PHE  10   1.541  -4.495  -0.423
   84    HD2  PHE  10           HD2      PHE  10   0.389  -6.855  -3.849
   85    HE1  PHE  10           HE1      PHE  10   1.015  -2.410  -1.682
   86    HE2  PHE  10           HE2      PHE  10  -0.138  -4.769  -5.107
   87    HZ   PHE  10           HZ       PHE  10   0.174  -2.547  -4.023
   88    H    LEU  11           H        LEU  11   3.983  -7.074   0.499
   89    HA   LEU  11           HA       LEU  11   5.118  -4.505  -0.439
   90   1HB   LEU  11          1HB       LEU  11   5.085  -6.024   2.184
   91   2HB   LEU  11          2HB       LEU  11   5.878  -4.460   1.981
   92    HG   LEU  11           HG       LEU  11   2.946  -5.014   1.437
   93   1HD1  LEU  11          1HD1      LEU  11   4.367  -4.460   3.870
   94   2HD1  LEU  11          2HD1      LEU  11   2.630  -4.664   3.634
   95   3HD1  LEU  11          3HD1      LEU  11   3.360  -3.066   3.466
   96   1HD2  LEU  11          1HD2      LEU  11   4.774  -2.790   0.829
   97   2HD2  LEU  11          2HD2      LEU  11   3.307  -2.291   1.674
   98   3HD2  LEU  11          3HD2      LEU  11   3.193  -3.161   0.144
   99    H    ASN  12           H        ASN  12   6.030  -7.339  -1.339
  100    HA   ASN  12           HA       ASN  12   8.708  -7.705  -0.296
  101   1HB   ASN  12          1HB       ASN  12   6.827  -8.974  -2.029
  102   2HB   ASN  12          2HB       ASN  12   8.335  -8.796  -2.924
  103   1HD2  ASN  12          1HD2      ASN  12   7.035 -11.252  -1.607
  104   2HD2  ASN  12          2HD2      ASN  12   8.263 -11.892  -0.624
  105    H    ARG  13           H        ARG  13   7.298  -5.702  -2.783
  106    HA   ARG  13           HA       ARG  13   9.869  -5.206  -4.138
  107   1HB   ARG  13          1HB       ARG  13   7.031  -4.190  -4.414
  108   2HB   ARG  13          2HB       ARG  13   8.349  -3.621  -5.438
  109   1HG   ARG  13          1HG       ARG  13   8.534  -6.438  -5.435
  110   2HG   ARG  13          2HG       ARG  13   6.823  -6.066  -5.646
  111   1HD   ARG  13          1HD       ARG  13   7.155  -5.207  -7.735
  112   2HD   ARG  13          2HD       ARG  13   8.643  -4.370  -7.248
  113    HE   ARG  13           HE       ARG  13   8.882  -7.292  -7.325
  114   1HH1  ARG  13          1HH1      ARG  13  10.609  -4.637  -8.017
  115   2HH1  ARG  13          2HH1      ARG  13  11.089  -5.083  -9.620
  116   1HH2  ARG  13          1HH2      ARG  13   8.871  -7.740  -9.831
  117   2HH2  ARG  13          2HH2      ARG  13  10.105  -6.838 -10.647
  118    H    TRP  14           H        TRP  14   8.195  -3.947  -1.426
  119    HA   TRP  14           HA       TRP  14   9.111  -1.187  -1.638
  120   1HB   TRP  14          1HB       TRP  14   7.852  -2.942   0.470
  121   2HB   TRP  14          2HB       TRP  14   8.264  -1.261   0.772
  122    HD1  TRP  14           HD1      TRP  14   6.902  -2.468  -2.616
  123    HE1  TRP  14           HE1      TRP  14   4.608  -1.361  -3.005
  124    HE3  TRP  14           HE3      TRP  14   6.288  -0.208   1.893
  125    HZ2  TRP  14           HZ2      TRP  14   2.729   0.287  -1.566
  126    HZ3  TRP  14           HZ3      TRP  14   4.232   1.128   2.390
  127    HH2  TRP  14           HH2      TRP  14   2.460   1.375   0.660
  128    HA   PRO  15           HA       PRO  15  13.141  -2.046   0.001
  129   1HB   PRO  15          1HB       PRO  15  13.830   0.483   0.777
  130   2HB   PRO  15          2HB       PRO  15  13.829  -0.046  -0.915
  131   1HG   PRO  15          1HG       PRO  15  11.827   1.576   0.562
  132   2HG   PRO  15          2HG       PRO  15  12.374   1.712  -1.115
  133   1HD   PRO  15          1HD       PRO  15  10.006   0.555  -0.364
  134   2HD   PRO  15          2HD       PRO  15  10.876   0.160  -1.862
  135    H    ARG  16           H        ARG  16  14.400  -1.414   2.143
  136    HA   ARG  16           HA       ARG  16  12.656  -2.094   4.373
  137   1HB   ARG  16          1HB       ARG  16  14.637  -3.230   4.537
  138   2HB   ARG  16          2HB       ARG  16  15.510  -2.034   3.597
  139   1HG   ARG  16          1HG       ARG  16  16.101  -0.812   5.426
  140   2HG   ARG  16          2HG       ARG  16  14.644  -1.228   6.325
  141   1HD   ARG  16          1HD       ARG  16  15.665  -2.993   7.333
  142   2HD   ARG  16          2HD       ARG  16  16.317  -3.575   5.789
  143    HE   ARG  16           HE       ARG  16  17.586  -1.164   6.956
  144   1HH1  ARG  16          1HH1      ARG  16  18.295  -3.582   4.922
  145   2HH1  ARG  16          2HH1      ARG  16  19.696  -4.179   5.745
  146   1HH2  ARG  16          1HH2      ARG  16  19.111  -2.347   8.628
  147   2HH2  ARG  16          2HH2      ARG  16  20.157  -3.483   7.844
  148    H    GLU  17           H        GLU  17  14.109   0.767   3.006
  149    HA   GLU  17           HA       GLU  17  14.127   2.409   5.373
  150   1HB   GLU  17          1HB       GLU  17  14.045   2.926   2.391
  151   2HB   GLU  17          2HB       GLU  17  14.167   4.232   3.569
  152   1HG   GLU  17          1HG       GLU  17  16.163   2.858   4.533
  153   2HG   GLU  17          2HG       GLU  17  16.151   2.049   2.965
  154    H    VAL  18           H        VAL  18  11.662   1.508   3.036
  155    HA   VAL  18           HA       VAL  18   9.761   3.525   4.105
  156    HB   VAL  18           HB       VAL  18   9.660   1.464   1.872
  157   1HG1  VAL  18          1HG1      VAL  18   7.441   1.807   1.716
  158   2HG1  VAL  18          2HG1      VAL  18   7.678   3.556   1.679
  159   3HG1  VAL  18          3HG1      VAL  18   7.509   2.720   3.224
  160   1HG2  VAL  18          1HG2      VAL  18  10.580   3.078   0.587
  161   2HG2  VAL  18          2HG2      VAL  18  10.866   4.008   2.056
  162   3HG2  VAL  18          3HG2      VAL  18   9.388   4.257   1.130
  163    H    LEU  19           H        LEU  19  10.168  -0.012   3.890
  164    HA   LEU  19           HA       LEU  19   7.699  -0.719   5.160
  165   1HB   LEU  19          1HB       LEU  19  10.395  -2.074   4.874
  166   2HB   LEU  19          2HB       LEU  19   8.968  -2.890   5.515
  167    HG   LEU  19           HG       LEU  19   9.118  -1.562   2.793
  168   1HD1  LEU  19          1HD1      LEU  19   9.088  -3.891   1.932
  169   2HD1  LEU  19          2HD1      LEU  19   9.209  -4.489   3.586
  170   3HD1  LEU  19          3HD1      LEU  19  10.536  -3.564   2.885
  171   1HD2  LEU  19          1HD2      LEU  19   7.007  -3.196   4.224
  172   2HD2  LEU  19          2HD2      LEU  19   6.981  -2.914   2.484
  173   3HD2  LEU  19          3HD2      LEU  19   6.856  -1.554   3.601
  174    H    ASP  20           H        ASP  20  10.832   0.237   6.420
  175    HA   ASP  20           HA       ASP  20  10.382  -0.669   9.143
  176   1HB   ASP  20          1HB       ASP  20  12.595  -0.232   8.058
  177   2HB   ASP  20          2HB       ASP  20  12.204   1.488   8.026
  178    H    LEU  21           H        LEU  21   9.447   2.129   7.293
  179    HA   LEU  21           HA       LEU  21   8.803   3.754   9.677
  180   1HB   LEU  21          1HB       LEU  21   9.765   4.804   7.712
  181   2HB   LEU  21          2HB       LEU  21   8.530   4.093   6.675
  182    HG   LEU  21           HG       LEU  21   6.794   5.400   7.837
  183   1HD1  LEU  21          1HD1      LEU  21   7.826   5.569  10.042
  184   2HD1  LEU  21          2HD1      LEU  21   7.527   7.191   9.416
  185   3HD1  LEU  21          3HD1      LEU  21   9.157   6.517   9.377
  186   1HD2  LEU  21          1HD2      LEU  21   9.183   6.908   6.758
  187   2HD2  LEU  21          2HD2      LEU  21   7.645   7.691   7.115
  188   3HD2  LEU  21          3HD2      LEU  21   7.729   6.427   5.887
  189    H    VAL  22           H        VAL  22   7.166   1.845   7.191
  190    HA   VAL  22           HA       VAL  22   4.474   2.670   7.754
  191    HB   VAL  22           HB       VAL  22   5.521   0.019   6.708
  192   1HG1  VAL  22          1HG1      VAL  22   3.405  -0.241   5.696
  193   2HG1  VAL  22          2HG1      VAL  22   2.998   1.463   5.909
  194   3HG1  VAL  22          3HG1      VAL  22   3.031   0.383   7.303
  195   1HG2  VAL  22          1HG2      VAL  22   4.716   1.873   4.653
  196   2HG2  VAL  22          2HG2      VAL  22   6.282   1.088   4.874
  197   3HG2  VAL  22          3HG2      VAL  22   5.944   2.627   5.670
  198    H    ARG  23           H        ARG  23   6.324  -0.218   8.786
  199    HA   ARG  23           HA       ARG  23   4.323  -1.380  10.428
  200   1HB   ARG  23          1HB       ARG  23   6.307  -2.506  11.477
  201   2HB   ARG  23          2HB       ARG  23   6.341  -2.536   9.714
  202   1HG   ARG  23          1HG       ARG  23   8.400  -1.622   9.854
  203   2HG   ARG  23          2HG       ARG  23   7.606  -0.136  10.376
  204   1HD   ARG  23          1HD       ARG  23   8.187  -0.447  12.581
  205   2HD   ARG  23          2HD       ARG  23   8.030  -2.213  12.474
  206    HE   ARG  23           HE       ARG  23  10.167  -1.742  10.836
  207   1HH1  ARG  23          1HH1      ARG  23  10.815   0.783  12.172
  208   2HH1  ARG  23          2HH1      ARG  23  11.805   0.289  13.505
  209   1HH2  ARG  23          1HH2      ARG  23  10.812  -3.028  13.354
  210   2HH2  ARG  23          2HH2      ARG  23  11.802  -1.867  14.174
  211    H    LYS  24           H        LYS  24   6.508   1.306  11.065
  212    HA   LYS  24           HA       LYS  24   6.032   1.286  13.963
  213   1HB   LYS  24          1HB       LYS  24   7.792   2.481  12.030
  214   2HB   LYS  24          2HB       LYS  24   7.077   3.762  13.009
  215   1HG   LYS  24          1HG       LYS  24   7.932   1.393  14.542
  216   2HG   LYS  24          2HG       LYS  24   9.249   2.277  13.768
  217   1HD   LYS  24          1HD       LYS  24   7.602   4.274  14.824
  218   2HD   LYS  24          2HD       LYS  24   7.638   3.027  16.071
  219   1HE   LYS  24          1HE       LYS  24  10.048   3.077  16.170
  220   2HE   LYS  24          2HE       LYS  24  10.138   4.112  14.731
  221   1HZ   LYS  24          1HZ       LYS  24   8.664   5.696  16.002
  222   2HZ   LYS  24          2HZ       LYS  24  10.267   5.572  16.556
  223   3HZ   LYS  24          3HZ       LYS  24   9.013   4.784  17.389
  224    H    VAL  25           H        VAL  25   4.619   2.737  11.127
  225    HA   VAL  25           HA       VAL  25   3.193   4.875  12.520
  226    HB   VAL  25           HB       VAL  25   2.981   3.576   9.785
  227   1HG1  VAL  25          1HG1      VAL  25   0.886   4.760  10.504
  228   2HG1  VAL  25          2HG1      VAL  25   1.669   5.491   9.102
  229   3HG1  VAL  25          3HG1      VAL  25   1.841   6.231  10.696
  230   1HG2  VAL  25          1HG2      VAL  25   3.989   6.321  10.033
  231   2HG2  VAL  25          2HG2      VAL  25   4.654   4.956   9.137
  232   3HG2  VAL  25          3HG2      VAL  25   4.993   5.129  10.859
  233    H    ALA  26           H        ALA  26   2.380   1.625  11.305
  234    HA   ALA  26           HA       ALA  26  -0.426   1.738  11.838
  235   1HB   ALA  26          1HB       ALA  26   0.828  -0.869  12.219
  236   2HB   ALA  26          2HB       ALA  26   1.481  -0.034  10.810
  237   3HB   ALA  26          3HB       ALA  26  -0.252  -0.332  10.935
  238    H    GLU  27           H        GLU  27   2.350   0.725  13.830
  239    HA   GLU  27           HA       GLU  27   0.800  -0.158  16.094
  240   1HB   GLU  27          1HB       GLU  27   3.621   0.528  15.418
  241   2HB   GLU  27          2HB       GLU  27   3.204   0.494  17.131
  242   1HG   GLU  27          1HG       GLU  27   2.302  -1.784  16.878
  243   2HG   GLU  27          2HG       GLU  27   2.701  -1.755  15.160
  244    H    GLU  28           H        GLU  28   1.570   2.998  14.889
  245    HA   GLU  28           HA       GLU  28   1.399   4.354  17.488
  246   1HB   GLU  28          1HB       GLU  28   1.643   5.103  14.582
  247   2HB   GLU  28          2HB       GLU  28   1.293   6.346  15.785
  248   1HG   GLU  28          1HG       GLU  28   3.524   4.436  16.348
  249   2HG   GLU  28          2HG       GLU  28   3.803   5.711  15.160
  250    H    ASN  29           H        ASN  29  -0.599   4.539  14.507
  251    HA   ASN  29           HA       ASN  29  -2.790   5.914  15.682
  252   1HB   ASN  29          1HB       ASN  29  -2.246   4.239  13.279
  253   2HB   ASN  29          2HB       ASN  29  -3.941   4.518  13.680
  254   1HD2  ASN  29          1HD2      ASN  29  -0.861   6.322  13.191
  255   2HD2  ASN  29          2HD2      ASN  29  -1.608   7.732  12.608
  256    H    GLY  30           H        GLY  30  -1.956   2.491  15.726
  257   1HA   GLY  30          1HA       GLY  30  -2.822   1.013  17.450
  258   2HA   GLY  30          2HA       GLY  30  -4.254   2.036  17.561
  259    H    ARG  31           H        ARG  31  -2.736   0.727  14.635
  260    HA   ARG  31           HA       ARG  31  -5.098  -1.052  14.211
  261   1HB   ARG  31          1HB       ARG  31  -3.991   0.925  12.189
  262   2HB   ARG  31          2HB       ARG  31  -5.422  -0.088  11.997
  263   1HG   ARG  31          1HG       ARG  31  -6.403   1.094  14.013
  264   2HG   ARG  31          2HG       ARG  31  -5.044   2.217  13.923
  265   1HD   ARG  31          1HD       ARG  31  -5.736   2.533  11.435
  266   2HD   ARG  31          2HD       ARG  31  -7.280   1.816  11.932
  267    HE   ARG  31           HE       ARG  31  -6.420   4.475  12.592
  268   1HH1  ARG  31          1HH1      ARG  31  -8.656   2.029  13.271
  269   2HH1  ARG  31          2HH1      ARG  31  -9.227   2.736  14.744
  270   1HH2  ARG  31          1HH2      ARG  31  -6.832   5.240  14.791
  271   2HH2  ARG  31          2HH2      ARG  31  -8.197   4.549  15.604
  272    H    SER  32           H        SER  32  -4.300  -1.596  11.486
  273    HA   SER  32           HA       SER  32  -1.810  -3.172  11.994
  274   1HB   SER  32          1HB       SER  32  -4.012  -4.314  11.484
  275   2HB   SER  32          2HB       SER  32  -3.975  -3.547   9.899
  276    HG   SER  32           HG       SER  32  -2.565  -5.687  10.870
  277    H    VAL  33           H        VAL  33  -0.632  -3.577   9.762
  278    HA   VAL  33           HA       VAL  33   0.117  -0.966   8.718
  279    HB   VAL  33           HB       VAL  33   0.880  -3.824   8.050
  280   1HG1  VAL  33          1HG1      VAL  33   2.825  -1.710   7.529
  281   2HG1  VAL  33          2HG1      VAL  33   1.366  -1.537   6.553
  282   3HG1  VAL  33          3HG1      VAL  33   2.299  -3.031   6.486
  283   1HG2  VAL  33          1HG2      VAL  33   1.654  -1.840  10.113
  284   2HG2  VAL  33          2HG2      VAL  33   2.992  -2.690   9.339
  285   3HG2  VAL  33          3HG2      VAL  33   1.728  -3.602  10.164
  286    H    ASN  34           H        ASN  34  -2.091  -3.490   7.778
  287    HA   ASN  34           HA       ASN  34  -2.193  -2.877   4.937
  288   1HB   ASN  34          1HB       ASN  34  -3.874  -4.334   6.975
  289   2HB   ASN  34          2HB       ASN  34  -4.504  -4.072   5.347
  290   1HD2  ASN  34          1HD2      ASN  34  -3.960  -5.685   3.875
  291   2HD2  ASN  34          2HD2      ASN  34  -2.617  -6.716   4.008
  292    H    SER  35           H        SER  35  -3.642  -1.549   7.841
  293    HA   SER  35           HA       SER  35  -5.647   0.021   6.357
  294   1HB   SER  35          1HB       SER  35  -5.604  -1.044   8.811
  295   2HB   SER  35          2HB       SER  35  -4.887   0.515   9.213
  296    HG   SER  35           HG       SER  35  -6.700   1.527   8.557
  297    H    GLU  36           H        GLU  36  -2.441   0.455   7.789
  298    HA   GLU  36           HA       GLU  36  -2.380   3.327   7.730
  299   1HB   GLU  36          1HB       GLU  36  -0.880   1.576   8.903
  300   2HB   GLU  36          2HB       GLU  36  -0.048   1.441   7.352
  301   1HG   GLU  36          1HG       GLU  36  -0.503   4.207   8.253
  302   2HG   GLU  36          2HG       GLU  36   0.578   3.269   9.282
  303    H    ILE  37           H        ILE  37  -1.173   0.845   5.452
  304    HA   ILE  37           HA       ILE  37  -0.255   2.698   3.450
  305    HB   ILE  37           HB       ILE  37  -1.195  -0.190   3.288
  306   1HG1  ILE  37          1HG1      ILE  37   0.605   0.225   4.957
  307   2HG1  ILE  37          2HG1      ILE  37   1.177  -0.741   3.597
  308   1HG2  ILE  37          1HG2      ILE  37  -0.058   1.680   1.319
  309   2HG2  ILE  37          2HG2      ILE  37  -0.906   0.154   1.062
  310   3HG2  ILE  37          3HG2      ILE  37   0.818   0.153   1.440
  311   1HD1  ILE  37          1HD1      ILE  37   2.006   1.399   2.540
  312   2HD1  ILE  37          2HD1      ILE  37   2.841   0.953   4.027
  313   3HD1  ILE  37          3HD1      ILE  37   1.617   2.223   4.050
  314    H    TYR  38           H        TYR  38  -3.377   1.208   4.143
  315    HA   TYR  38           HA       TYR  38  -4.677   1.806   1.655
  316   1HB   TYR  38          1HB       TYR  38  -5.449   0.152   3.295
  317   2HB   TYR  38          2HB       TYR  38  -5.687   1.426   4.493
  318    HD1  TYR  38           HD1      TYR  38  -7.930   1.935   4.826
  319    HD2  TYR  38           HD2      TYR  38  -6.536   1.005   0.857
  320    HE1  TYR  38           HE1      TYR  38 -10.220   2.355   3.929
  321    HE2  TYR  38           HE2      TYR  38  -8.826   1.421  -0.051
  322    HH   TYR  38           HH       TYR  38 -11.330   2.864   1.889
  323    H    GLN  39           H        GLN  39  -4.384   3.600   4.724
  324    HA   GLN  39           HA       GLN  39  -6.157   5.758   3.950
  325   1HB   GLN  39          1HB       GLN  39  -4.358   4.975   6.142
  326   2HB   GLN  39          2HB       GLN  39  -4.418   6.719   5.884
  327   1HG   GLN  39          1HG       GLN  39  -6.342   6.709   7.064
  328   2HG   GLN  39          2HG       GLN  39  -7.081   5.915   5.673
  329   1HE2  GLN  39          1HE2      GLN  39  -7.902   3.841   6.037
  330   2HE2  GLN  39          2HE2      GLN  39  -7.526   2.875   7.382
  331    H    ARG  40           H        ARG  40  -2.605   5.383   4.004
  332    HA   ARG  40           HA       ARG  40  -1.928   7.975   3.015
  333   1HB   ARG  40          1HB       ARG  40  -0.520   5.328   2.520
  334   2HB   ARG  40          2HB       ARG  40   0.223   6.925   2.564
  335   1HG   ARG  40          1HG       ARG  40  -1.252   6.470   5.006
  336   2HG   ARG  40          2HG       ARG  40  -0.125   5.142   4.731
  337   1HD   ARG  40          1HD       ARG  40   1.713   6.795   4.400
  338   2HD   ARG  40          2HD       ARG  40   0.571   8.101   4.779
  339    HE   ARG  40           HE       ARG  40   1.405   5.959   6.690
  340   1HH1  ARG  40          1HH1      ARG  40  -1.273   7.841   6.387
  341   2HH1  ARG  40          2HH1      ARG  40  -1.040   8.773   7.828
  342   1HH2  ARG  40          1HH2      ARG  40   2.189   7.631   8.366
  343   2HH2  ARG  40          2HH2      ARG  40   0.919   8.655   8.946
  344    H    VAL  41           H        VAL  41  -3.166   5.114   1.465
  345    HA   VAL  41           HA       VAL  41  -2.530   6.025  -1.274
  346    HB   VAL  41           HB       VAL  41  -3.897   3.657   0.031
  347   1HG1  VAL  41          1HG1      VAL  41  -3.364   4.093  -2.924
  348   2HG1  VAL  41          2HG1      VAL  41  -4.957   4.056  -2.164
  349   3HG1  VAL  41          3HG1      VAL  41  -3.959   2.602  -2.191
  350   1HG2  VAL  41          1HG2      VAL  41  -1.495   3.435  -1.705
  351   2HG2  VAL  41          2HG2      VAL  41  -1.880   2.594  -0.204
  352   3HG2  VAL  41          3HG2      VAL  41  -1.279   4.248  -0.158
  353    H    MET  42           H        MET  42  -5.166   6.077   1.003
  354    HA   MET  42           HA       MET  42  -7.300   6.503  -0.929
  355   1HB   MET  42          1HB       MET  42  -6.900   6.045   1.874
  356   2HB   MET  42          2HB       MET  42  -7.938   7.455   1.682
  357   1HG   MET  42          1HG       MET  42  -8.384   4.802   0.288
  358   2HG   MET  42          2HG       MET  42  -9.215   5.305   1.760
  359   1HE   MET  42          1HE       MET  42 -11.140   4.547   0.335
  360   2HE   MET  42          2HE       MET  42 -12.180   5.757  -0.405
  361   3HE   MET  42          3HE       MET  42 -11.740   5.904   1.294
  362    H    GLU  43           H        GLU  43  -5.826   8.677   1.524
  363    HA   GLU  43           HA       GLU  43  -7.075  11.072   0.820
  364   1HB   GLU  43          1HB       GLU  43  -5.084  12.112   1.848
  365   2HB   GLU  43          2HB       GLU  43  -5.582  10.683   2.751
  366   1HG   GLU  43          1HG       GLU  43  -3.901   9.358   1.403
  367   2HG   GLU  43          2HG       GLU  43  -3.309  10.891   0.761
  368    H    SER  44           H        SER  44  -4.333   9.503  -0.803
  369    HA   SER  44           HA       SER  44  -3.486  11.679  -2.430
  370   1HB   SER  44          1HB       SER  44  -3.492   8.672  -2.751
  371   2HB   SER  44          2HB       SER  44  -2.702   9.736  -3.910
  372    HG   SER  44           HG       SER  44  -1.407   8.896  -2.075
  373    H    PHE  45           H        PHE  45  -5.796   9.048  -3.222
  374    HA   PHE  45           HA       PHE  45  -6.510   9.964  -5.811
  375   1HB   PHE  45          1HB       PHE  45  -7.868   8.355  -3.648
  376   2HB   PHE  45          2HB       PHE  45  -8.638   8.620  -5.212
  377    HD1  PHE  45           HD1      PHE  45  -7.118   6.127  -3.599
  378    HD2  PHE  45           HD2      PHE  45  -6.425   8.528  -7.119
  379    HE1  PHE  45           HE1      PHE  45  -5.755   4.287  -4.586
  380    HE2  PHE  45           HE2      PHE  45  -5.064   6.689  -8.104
  381    HZ   PHE  45           HZ       PHE  45  -4.733   4.568  -6.841
  382    H    LYS  46           H        LYS  46  -7.635  10.989  -2.620
  383    HA   LYS  46           HA       LYS  46  -9.950  12.452  -3.610
  384   1HB   LYS  46          1HB       LYS  46  -8.368  12.416  -1.026
  385   2HB   LYS  46          2HB       LYS  46  -9.841  13.364  -1.237
  386   1HG   LYS  46          1HG       LYS  46 -10.730  10.997  -2.144
  387   2HG   LYS  46          2HG       LYS  46  -9.504  10.414  -1.026
  388   1HD   LYS  46          1HD       LYS  46 -10.750  10.963   0.769
  389   2HD   LYS  46          2HD       LYS  46 -11.060  12.580   0.137
  390   1HE   LYS  46          1HE       LYS  46 -13.200  11.911  -0.239
  391   2HE   LYS  46          2HE       LYS  46 -12.560  10.838  -1.501
  392   1HZ   LYS  46          1HZ       LYS  46 -12.200   9.126   0.089
  393   2HZ   LYS  46          2HZ       LYS  46 -13.790   9.663   0.302
  394   3HZ   LYS  46          3HZ       LYS  46 -12.580  10.150   1.387
  395    H    LYS  47           H        LYS  47  -6.557  13.234  -3.018
  396    HA   LYS  47           HA       LYS  47  -6.656  16.051  -2.903
  397   1HB   LYS  47          1HB       LYS  47  -4.696  14.461  -2.630
  398   2HB   LYS  47          2HB       LYS  47  -4.623  14.365  -4.390
  399   1HG   LYS  47          1HG       LYS  47  -4.787  17.128  -3.627
  400   2HG   LYS  47          2HG       LYS  47  -3.490  16.362  -2.710
  401   1HD   LYS  47          1HD       LYS  47  -2.627  15.399  -4.869
  402   2HD   LYS  47          2HD       LYS  47  -3.833  16.362  -5.721
  403   1HE   LYS  47          1HE       LYS  47  -2.864  18.432  -4.741
  404   2HE   LYS  47          2HE       LYS  47  -1.621  17.449  -3.939
  405   1HZ   LYS  47          1HZ       LYS  47  -2.103  17.770  -6.845
  406   2HZ   LYS  47          2HZ       LYS  47  -1.191  16.480  -6.220
  407   3HZ   LYS  47          3HZ       LYS  47  -0.677  18.081  -5.982
  408    H    GLU  48           H        GLU  48  -6.374  13.986  -5.824
  409    HA   GLU  48           HA       GLU  48  -6.653  16.281  -7.621
  410   1HB   GLU  48          1HB       GLU  48  -6.489  13.276  -7.871
  411   2HB   GLU  48          2HB       GLU  48  -6.803  14.288  -9.281
  412   1HG   GLU  48          1HG       GLU  48  -4.637  15.448  -7.812
  413   2HG   GLU  48          2HG       GLU  48  -4.292  13.734  -8.046
  414    H    GLY  49           H        GLY  49  -8.654  13.340  -7.104
  415   1HA   GLY  49          1HA       GLY  49 -11.110  13.889  -6.590
  416   2HA   GLY  49          2HA       GLY  49 -11.010  14.943  -8.002
  417    H    ARG  50           H        ARG  50  -9.636  11.690  -7.568
  418    HA   ARG  50           HA       ARG  50 -10.720  10.851 -10.160
  419   1HB   ARG  50          1HB       ARG  50  -8.750  10.011  -8.158
  420   2HB   ARG  50          2HB       ARG  50  -9.616   8.654  -8.879
  421   1HG   ARG  50          1HG       ARG  50  -8.372   8.849 -10.741
  422   2HG   ARG  50          2HG       ARG  50  -8.979  10.489 -10.973
  423   1HD   ARG  50          1HD       ARG  50  -7.213  11.306  -9.374
  424   2HD   ARG  50          2HD       ARG  50  -6.544   9.663  -9.354
  425    HE   ARG  50           HE       ARG  50  -6.861  11.221 -11.895
  426   1HH1  ARG  50          1HH1      ARG  50  -4.287  11.078 -10.113
  427   2HH1  ARG  50          2HH1      ARG  50  -3.356   9.946 -11.038
  428   1HH2  ARG  50          1HH2      ARG  50  -6.048   8.902 -12.959
  429   2HH2  ARG  50          2HH2      ARG  50  -4.354   8.717 -12.651
  430    H    ILE  51           H        ILE  51 -11.490  10.390  -6.754
  431    HA   ILE  51           HA       ILE  51 -13.340   8.164  -7.234
  432    HB   ILE  51           HB       ILE  51 -12.850   9.979  -4.849
  433   1HG1  ILE  51          1HG1      ILE  51 -11.820   7.171  -5.287
  434   2HG1  ILE  51          2HG1      ILE  51 -10.910   8.585  -5.813
  435   1HG2  ILE  51          1HG2      ILE  51 -14.900   8.107  -5.309
  436   2HG2  ILE  51          2HG2      ILE  51 -14.440   8.808  -3.759
  437   3HG2  ILE  51          3HG2      ILE  51 -13.740   7.277  -4.279
  438   1HD1  ILE  51          1HD1      ILE  51 -10.140   7.966  -3.595
  439   2HD1  ILE  51          2HD1      ILE  51 -11.800   7.953  -2.987
  440   3HD1  ILE  51          3HD1      ILE  51 -11.050   9.474  -3.469
  441    H    GLY  52           H        GLY  52 -13.510  11.642  -7.251
  442   1HA   GLY  52          1HA       GLY  52 -15.670  12.327  -8.513
  443   2HA   GLY  52          2HA       GLY  52 -16.490  11.517  -7.177
  444    H    ALA  53           H        ALA  53 -14.410  12.454  -5.243
  445    HA   ALA  53           HA       ALA  53 -15.640  15.062  -4.659
  446   1HB   ALA  53          1HB       ALA  53 -15.080  13.122  -3.056
  447   2HB   ALA  53          2HB       ALA  53 -14.630  14.742  -2.527
  448   3HB   ALA  53          3HB       ALA  53 -13.410  13.657  -3.189
  449   1H    MET   1          1H        MET   1   0.132 -17.303 -20.921
  450   2H    MET   1          2H        MET   1  -1.029 -17.688 -19.743
  451   3H    MET   1          3H        MET   1   0.077 -18.866 -20.266
  452    HA   MET   1           HA       MET   1   0.937 -18.182 -18.209
  453   1HB   MET   1          1HB       MET   1   2.113 -17.323 -20.753
  454   2HB   MET   1          2HB       MET   1   2.746 -16.420 -19.376
  455   1HG   MET   1          1HG       MET   1   2.491 -19.374 -19.061
  456   2HG   MET   1          2HG       MET   1   3.775 -18.785 -20.117
  457   1HE   MET   1          1HE       MET   1   3.542 -19.786 -16.236
  458   2HE   MET   1          2HE       MET   1   5.186 -20.000 -16.831
  459   3HE   MET   1          3HE       MET   1   3.823 -20.484 -17.837
  460    H    LYS   2           H        LYS   2  -0.231 -15.474 -20.165
  461    HA   LYS   2           HA       LYS   2  -0.139 -13.724 -17.731
  462   1HB   LYS   2          1HB       LYS   2   1.042 -13.303 -20.087
  463   2HB   LYS   2          2HB       LYS   2  -0.561 -12.701 -20.513
  464   1HG   LYS   2          1HG       LYS   2  -0.254 -10.814 -19.321
  465   2HG   LYS   2          2HG       LYS   2   0.266 -11.725 -17.903
  466   1HD   LYS   2          1HD       LYS   2   2.212 -10.555 -18.402
  467   2HD   LYS   2          2HD       LYS   2   2.483 -12.045 -19.306
  468   1HE   LYS   2          1HE       LYS   2   1.990 -11.034 -21.372
  469   2HE   LYS   2          2HE       LYS   2   1.085  -9.709 -20.611
  470   1HZ   LYS   2          1HZ       LYS   2   3.226  -9.107 -19.480
  471   2HZ   LYS   2          2HZ       LYS   2   3.204  -8.840 -21.158
  472   3HZ   LYS   2          3HZ       LYS   2   4.012 -10.192 -20.518
  473    H    GLY   3           H        GLY   3  -1.998 -12.018 -17.842
  474   1HA   GLY   3          1HA       GLY   3  -4.293 -11.489 -18.196
  475   2HA   GLY   3          2HA       GLY   3  -4.464 -12.972 -19.134
  476    H    MET   4           H        MET   4  -3.112 -12.722 -15.870
  477    HA   MET   4           HA       MET   4  -5.236 -14.604 -14.938
  478   1HB   MET   4          1HB       MET   4  -2.432 -14.470 -14.723
  479   2HB   MET   4          2HB       MET   4  -3.040 -14.085 -13.111
  480   1HG   MET   4          1HG       MET   4  -3.881 -16.179 -12.785
  481   2HG   MET   4          2HG       MET   4  -4.400 -16.339 -14.464
  482   1HE   MET   4          1HE       MET   4  -1.067 -18.316 -12.450
  483   2HE   MET   4          2HE       MET   4  -2.771 -18.733 -12.616
  484   3HE   MET   4          3HE       MET   4  -2.312 -17.244 -11.794
  485    H    SER   5           H        SER   5  -5.028 -14.104 -12.193
  486    HA   SER   5           HA       SER   5  -6.617 -11.650 -11.941
  487   1HB   SER   5          1HB       SER   5  -5.734 -13.934 -10.192
  488   2HB   SER   5          2HB       SER   5  -6.464 -12.507  -9.462
  489    HG   SER   5           HG       SER   5  -7.760 -14.476 -10.415
  490    H    LYS   6           H        LYS   6  -5.920  -9.725 -10.984
  491    HA   LYS   6           HA       LYS   6  -3.020  -9.596 -10.240
  492   1HB   LYS   6          1HB       LYS   6  -4.947  -7.503 -11.306
  493   2HB   LYS   6          2HB       LYS   6  -3.246  -7.214 -10.937
  494   1HG   LYS   6          1HG       LYS   6  -3.108  -9.443 -12.547
  495   2HG   LYS   6          2HG       LYS   6  -4.456  -8.557 -13.259
  496   1HD   LYS   6          1HD       LYS   6  -2.226  -6.803 -12.554
  497   2HD   LYS   6          2HD       LYS   6  -1.761  -8.048 -13.714
  498   1HE   LYS   6          1HE       LYS   6  -4.306  -6.473 -14.114
  499   2HE   LYS   6          2HE       LYS   6  -2.745  -5.834 -14.665
  500   1HZ   LYS   6          1HZ       LYS   6  -3.650  -7.156 -16.419
  501   2HZ   LYS   6          2HZ       LYS   6  -3.952  -8.456 -15.366
  502   3HZ   LYS   6          3HZ       LYS   6  -2.355  -8.018 -15.745
  503    H    MET   7           H        MET   7  -5.054 -10.403  -8.347
  504    HA   MET   7           HA       MET   7  -5.264  -7.996  -6.579
  505   1HB   MET   7          1HB       MET   7  -6.877 -10.459  -7.092
  506   2HB   MET   7          2HB       MET   7  -6.920  -9.778  -5.465
  507   1HG   MET   7          1HG       MET   7  -7.311  -7.508  -6.701
  508   2HG   MET   7          2HG       MET   7  -7.791  -8.530  -8.057
  509   1HE   MET   7          1HE       MET   7  -9.514  -6.995  -4.576
  510   2HE   MET   7          2HE       MET   7  -7.897  -7.698  -4.585
  511   3HE   MET   7          3HE       MET   7  -9.226  -8.572  -3.827
  512    HA   PRO   8           HA       PRO   8  -2.042 -10.374  -4.441
  513   1HB   PRO   8          1HB       PRO   8  -1.223  -8.309  -2.841
  514   2HB   PRO   8          2HB       PRO   8  -0.677  -8.506  -4.519
  515   1HG   PRO   8          1HG       PRO   8  -2.775  -6.708  -3.410
  516   2HG   PRO   8          2HG       PRO   8  -1.577  -6.399  -4.677
  517   1HD   PRO   8          1HD       PRO   8  -4.186  -6.966  -5.197
  518   2HD   PRO   8          2HD       PRO   8  -2.858  -7.367  -6.310
  519    H    GLN   9           H        GLN   9  -1.955 -11.192  -2.257
  520    HA   GLN   9           HA       GLN   9  -4.472 -11.336  -0.872
  521   1HB   GLN   9          1HB       GLN   9  -1.636 -12.200  -0.476
  522   2HB   GLN   9          2HB       GLN   9  -2.723 -12.288   0.909
  523   1HG   GLN   9          1HG       GLN   9  -2.814 -14.413  -0.254
  524   2HG   GLN   9          2HG       GLN   9  -4.340 -13.572  -0.525
  525   1HE2  GLN   9          1HE2      GLN   9  -4.751 -12.704  -2.682
  526   2HE2  GLN   9          2HE2      GLN   9  -3.801 -13.154  -4.014
  527    H    PHE  10           H        PHE  10  -1.877  -9.039  -0.742
  528    HA   PHE  10           HA       PHE  10  -2.313  -8.134   1.989
  529   1HB   PHE  10          1HB       PHE  10  -0.185  -7.876   0.812
  530   2HB   PHE  10          2HB       PHE  10  -0.971  -6.923  -0.448
  531    HD1  PHE  10           HD1      PHE  10  -1.438  -4.591  -0.155
  532    HD2  PHE  10           HD2      PHE  10  -0.053  -6.972   3.167
  533    HE1  PHE  10           HE1      PHE  10  -1.092  -2.519   1.186
  534    HE2  PHE  10           HE2      PHE  10   0.293  -4.901   4.507
  535    HZ   PHE  10           HZ       PHE  10  -0.226  -2.673   3.518
  536    H    LEU  11           H        LEU  11  -3.655  -7.340  -1.170
  537    HA   LEU  11           HA       LEU  11  -5.006  -4.921  -0.123
  538   1HB   LEU  11          1HB       LEU  11  -4.858  -6.316  -2.812
  539   2HB   LEU  11          2HB       LEU  11  -5.781  -4.839  -2.537
  540    HG   LEU  11           HG       LEU  11  -2.808  -5.160  -2.027
  541   1HD1  LEU  11          1HD1      LEU  11  -4.288  -4.624  -4.431
  542   2HD1  LEU  11          2HD1      LEU  11  -2.539  -4.693  -4.208
  543   3HD1  LEU  11          3HD1      LEU  11  -3.398  -3.171  -3.969
  544   1HD2  LEU  11          1HD2      LEU  11  -4.817  -3.130  -1.317
  545   2HD2  LEU  11          2HD2      LEU  11  -3.406  -2.469  -2.147
  546   3HD2  LEU  11          3HD2      LEU  11  -3.202  -3.391  -0.656
  547    H    ASN  12           H        ASN  12  -5.656  -7.846   0.678
  548    HA   ASN  12           HA       ASN  12  -8.296  -8.415  -0.379
  549   1HB   ASN  12          1HB       ASN  12  -6.296  -9.583   1.290
  550   2HB   ASN  12          2HB       ASN  12  -7.806  -9.574   2.200
  551   1HD2  ASN  12          1HD2      ASN  12  -6.309 -11.851   0.774
  552   2HD2  ASN  12          2HD2      ASN  12  -7.483 -12.554  -0.229
  553    H    ARG  13           H        ARG  13  -7.052  -6.398   2.181
  554    HA   ARG  13           HA       ARG  13  -9.643  -6.189   3.571
  555   1HB   ARG  13          1HB       ARG  13  -6.902  -4.935   3.866
  556   2HB   ARG  13          2HB       ARG  13  -8.255  -4.524   4.920
  557   1HG   ARG  13          1HG       ARG  13  -8.189  -7.347   4.808
  558   2HG   ARG  13          2HG       ARG  13  -6.517  -6.828   5.025
  559   1HD   ARG  13          1HD       ARG  13  -6.908  -6.085   7.147
  560   2HD   ARG  13          2HD       ARG  13  -8.468  -5.367   6.702
  561    HE   ARG  13           HE       ARG  13  -8.447  -8.299   6.660
  562   1HH1  ARG  13          1HH1      ARG  13 -10.390  -5.841   7.469
  563   2HH1  ARG  13          2HH1      ARG  13 -10.820  -6.394   9.054
  564   1HH2  ARG  13          1HH2      ARG  13  -8.377  -8.846   9.147
  565   2HH2  ARG  13          2HH2      ARG  13  -9.681  -8.094  10.003
  566    H    TRP  14           H        TRP  14  -8.117  -4.683   0.902
  567    HA   TRP  14           HA       TRP  14  -9.269  -2.027   1.227
  568   1HB   TRP  14          1HB       TRP  14  -7.875  -3.583  -0.951
  569   2HB   TRP  14          2HB       TRP  14  -8.440  -1.935  -1.187
  570    HD1  TRP  14           HD1      TRP  14  -6.953  -3.134   2.153
  571    HE1  TRP  14           HE1      TRP  14  -4.767  -1.836   2.573
  572    HE3  TRP  14           HE3      TRP  14  -6.578  -0.676  -2.275
  573    HZ2  TRP  14           HZ2      TRP  14  -3.054   0.029   1.185
  574    HZ3  TRP  14           HZ3      TRP  14  -4.657   0.858  -2.735
  575    HH2  TRP  14           HH2      TRP  14  -2.904   1.208  -1.005
  576    HA   PRO  15           HA       PRO  15 -13.220  -3.162  -0.425
  577   1HB   PRO  15          1HB       PRO  15 -14.130  -0.671  -1.093
  578   2HB   PRO  15          2HB       PRO  15 -14.070  -1.264   0.577
  579   1HG   PRO  15          1HG       PRO  15 -12.220   0.577  -0.844
  580   2HG   PRO  15          2HG       PRO  15 -12.770   0.601   0.840
  581   1HD   PRO  15          1HD       PRO  15 -10.320  -0.321   0.028
  582   2HD   PRO  15          2HD       PRO  15 -11.130  -0.848   1.515
  583    H    ARG  16           H        ARG  16 -14.540  -2.568  -2.532
  584    HA   ARG  16           HA       ARG  16 -12.770  -2.998  -4.799
  585   1HB   ARG  16          1HB       ARG  16 -14.650  -4.293  -4.995
  586   2HB   ARG  16          2HB       ARG  16 -15.610  -3.211  -4.007
  587   1HG   ARG  16          1HG       ARG  16 -16.320  -1.980  -5.788
  588   2HG   ARG  16          2HG       ARG  16 -14.840  -2.227  -6.703
  589   1HD   ARG  16          1HD       ARG  16 -15.700  -4.033  -7.780
  590   2HD   ARG  16          2HD       ARG  16 -16.290  -4.735  -6.259
  591    HE   ARG  16           HE       ARG  16 -17.770  -2.405  -7.328
  592   1HH1  ARG  16          1HH1      ARG  16 -18.250  -4.954  -5.385
  593   2HH1  ARG  16          2HH1      ARG  16 -19.600  -5.643  -6.223
  594   1HH2  ARG  16          1HH2      ARG  16 -19.200  -3.655  -9.036
  595   2HH2  ARG  16          2HH2      ARG  16 -20.140  -4.906  -8.289
  596    H    GLU  17           H        GLU  17 -14.450  -0.329  -3.308
  597    HA   GLU  17           HA       GLU  17 -14.630   1.401  -5.608
  598   1HB   GLU  17          1HB       GLU  17 -14.570   1.797  -2.606
  599   2HB   GLU  17          2HB       GLU  17 -14.820   3.135  -3.729
  600   1HG   GLU  17          1HG       GLU  17 -16.690   1.628  -4.741
  601   2HG   GLU  17          2HG       GLU  17 -16.590   0.762  -3.208
  602    H    VAL  18           H        VAL  18 -12.080   0.625  -3.319
  603    HA   VAL  18           HA       VAL  18 -10.370   2.847  -4.308
  604    HB   VAL  18           HB       VAL  18 -10.070   0.713  -2.163
  605   1HG1  VAL  18          1HG1      VAL  18  -7.889   1.252  -2.008
  606   2HG1  VAL  18          2HG1      VAL  18  -8.285   2.965  -1.894
  607   3HG1  VAL  18          3HG1      VAL  18  -8.055   2.217  -3.473
  608   1HG2  VAL  18          1HG2      VAL  18 -11.120   2.182  -0.809
  609   2HG2  VAL  18          2HG2      VAL  18 -11.500   3.143  -2.237
  610   3HG2  VAL  18          3HG2      VAL  18 -10.040   3.485  -1.307
  611    H    LEU  19           H        LEU  19 -10.460  -0.717  -4.240
  612    HA   LEU  19           HA       LEU  19  -7.957  -1.154  -5.550
  613   1HB   LEU  19          1HB       LEU  19 -10.520  -2.746  -5.300
  614   2HB   LEU  19          2HB       LEU  19  -9.037  -3.411  -5.985
  615    HG   LEU  19           HG       LEU  19  -9.271  -2.212  -3.210
  616   1HD1  LEU  19          1HD1      LEU  19  -9.028  -4.562  -2.449
  617   2HD1  LEU  19          2HD1      LEU  19  -9.106  -5.100  -4.127
  618   3HD1  LEU  19          3HD1      LEU  19 -10.500  -4.329  -3.382
  619   1HD2  LEU  19          1HD2      LEU  19  -7.040  -3.600  -4.718
  620   2HD2  LEU  19          2HD2      LEU  19  -7.019  -3.367  -2.969
  621   3HD2  LEU  19          3HD2      LEU  19  -7.028  -1.970  -4.047
  622    H    ASP  20           H        ASP  20 -11.170  -0.415  -6.756
  623    HA   ASP  20           HA       ASP  20 -10.660  -1.181  -9.514
  624   1HB   ASP  20          1HB       ASP  20 -12.890  -0.982  -8.408
  625   2HB   ASP  20          2HB       ASP  20 -12.660   0.763  -8.309
  626    H    LEU  21           H        LEU  21  -9.959   1.612  -7.562
  627    HA   LEU  21           HA       LEU  21  -9.483   3.381  -9.882
  628   1HB   LEU  21          1HB       LEU  21 -10.520   4.260  -7.875
  629   2HB   LEU  21          2HB       LEU  21  -9.228   3.619  -6.868
  630    HG   LEU  21           HG       LEU  21  -7.617   5.121  -7.978
  631   1HD1  LEU  21          1HD1      LEU  21  -8.678   5.300 -10.170
  632   2HD1  LEU  21          2HD1      LEU  21  -8.516   6.911  -9.472
  633   3HD1  LEU  21          3HD1      LEU  21 -10.080   6.097  -9.456
  634   1HD2  LEU  21          1HD2      LEU  21 -10.120   6.388  -6.842
  635   2HD2  LEU  21          2HD2      LEU  21  -8.631   7.286  -7.130
  636   3HD2  LEU  21          3HD2      LEU  21  -8.649   5.956  -5.974
  637    H    VAL  22           H        VAL  22  -7.660   1.531  -7.476
  638    HA   VAL  22           HA       VAL  22  -5.057   2.613  -8.020
  639    HB   VAL  22           HB       VAL  22  -5.853  -0.161  -7.072
  640   1HG1  VAL  22          1HG1      VAL  22  -3.713  -0.271  -6.079
  641   2HG1  VAL  22          2HG1      VAL  22  -3.458   1.468  -6.228
  642   3HG1  VAL  22          3HG1      VAL  22  -3.408   0.444  -7.663
  643   1HG2  VAL  22          1HG2      VAL  22  -5.196   1.669  -4.946
  644   2HG2  VAL  22          2HG2      VAL  22  -6.692   0.767  -5.196
  645   3HG2  VAL  22          3HG2      VAL  22  -6.489   2.360  -5.926
  646    H    ARG  23           H        ARG  23  -6.656  -0.384  -9.161
  647    HA   ARG  23           HA       ARG  23  -4.575  -1.301 -10.859
  648   1HB   ARG  23          1HB       ARG  23  -6.462  -2.557 -11.939
  649   2HB   ARG  23          2HB       ARG  23  -6.483  -2.652 -10.177
  650   1HG   ARG  23          1HG       ARG  23  -8.613  -1.915 -10.279
  651   2HG   ARG  23          2HG       ARG  23  -7.953  -0.349 -10.748
  652   1HD   ARG  23          1HD       ARG  23  -8.529  -0.623 -12.958
  653   2HD   ARG  23          2HD       ARG  23  -8.210  -2.371 -12.924
  654    HE   ARG  23           HE       ARG  23 -10.360  -2.165 -11.259
  655   1HH1  ARG  23          1HH1      ARG  23 -11.240   0.348 -12.480
  656   2HH1  ARG  23          2HH1      ARG  23 -12.200  -0.177 -13.828
  657   1HH2  ARG  23          1HH2      ARG  23 -10.920  -3.398 -13.822
  658   2HH2  ARG  23          2HH2      ARG  23 -12.010  -2.296 -14.588
  659    H    LYS  24           H        LYS  24  -6.995   1.205 -11.377
  660    HA   LYS  24           HA       LYS  24  -6.539   1.349 -14.274
  661   1HB   LYS  24          1HB       LYS  24  -8.386   2.300 -12.285
  662   2HB   LYS  24          2HB       LYS  24  -7.795   3.679 -13.215
  663   1HG   LYS  24          1HG       LYS  24  -8.449   1.306 -14.841
  664   2HG   LYS  24          2HG       LYS  24  -9.832   2.035 -14.026
  665   1HD   LYS  24          1HD       LYS  24  -8.378   4.214 -15.004
  666   2HD   LYS  24          2HD       LYS  24  -8.314   3.023 -16.303
  667   1HE   LYS  24          1HE       LYS  24 -10.710   2.863 -16.387
  668   2HE   LYS  24          2HE       LYS  24 -10.880   3.824 -14.904
  669   1HZ   LYS  24          1HZ       LYS  24  -9.574   5.586 -16.118
  670   2HZ   LYS  24          2HZ       LYS  24 -11.160   5.340 -16.667
  671   3HZ   LYS  24          3HZ       LYS  24  -9.851   4.702 -17.540
  672    H    VAL  25           H        VAL  25  -5.239   2.799 -11.380
  673    HA   VAL  25           HA       VAL  25  -4.025   5.110 -12.693
  674    HB   VAL  25           HB       VAL  25  -3.679   3.735 -10.010
  675   1HG1  VAL  25          1HG1      VAL  25  -1.707   5.139 -10.707
  676   2HG1  VAL  25          2HG1      VAL  25  -2.530   5.717  -9.257
  677   3HG1  VAL  25          3HG1      VAL  25  -2.799   6.521 -10.804
  678   1HG2  VAL  25          1HG2      VAL  25  -4.929   6.389 -10.159
  679   2HG2  VAL  25          2HG2      VAL  25  -5.461   4.942  -9.301
  680   3HG2  VAL  25          3HG2      VAL  25  -5.831   5.138 -11.015
  681    H    ALA  26           H        ALA  26  -2.911   1.903 -11.613
  682    HA   ALA  26           HA       ALA  26  -0.131   2.280 -12.156
  683   1HB   ALA  26          1HB       ALA  26  -1.176  -0.402 -12.652
  684   2HB   ALA  26          2HB       ALA  26  -1.861   0.310 -11.191
  685   3HB   ALA  26          3HB       ALA  26  -0.113   0.158 -11.361
  686    H    GLU  27           H        GLU  27  -2.821   1.096 -14.176
  687    HA   GLU  27           HA       GLU  27  -1.224   0.456 -16.484
  688   1HB   GLU  27          1HB       GLU  27  -4.087   0.867 -15.762
  689   2HB   GLU  27          2HB       GLU  27  -3.684   0.940 -17.478
  690   1HG   GLU  27          1HG       GLU  27  -2.583  -1.258 -17.322
  691   2HG   GLU  27          2HG       GLU  27  -2.972  -1.334 -15.604
  692    H    GLU  28           H        GLU  28  -2.260   3.481 -15.145
  693    HA   GLU  28           HA       GLU  28  -2.232   4.949 -17.687
  694   1HB   GLU  28          1HB       GLU  28  -2.513   5.562 -14.752
  695   2HB   GLU  28          2HB       GLU  28  -2.283   6.876 -15.907
  696   1HG   GLU  28          1HG       GLU  28  -4.346   4.802 -16.532
  697   2HG   GLU  28          2HG       GLU  28  -4.722   6.000 -15.292
  698    H    ASN  29           H        ASN  29  -0.230   5.194 -14.715
  699    HA   ASN  29           HA       ASN  29   1.820   6.805 -15.839
  700   1HB   ASN  29          1HB       ASN  29   1.441   4.990 -13.511
  701   2HB   ASN  29          2HB       ASN  29   3.103   5.429 -13.906
  702   1HD2  ASN  29          1HD2      ASN  29  -0.117   6.937 -13.326
  703   2HD2  ASN  29          2HD2      ASN  29   0.508   8.381 -12.689
  704    H    GLY  30           H        GLY  30   1.300   3.322 -16.023
  705   1HA   GLY  30          1HA       GLY  30   2.290   1.999 -17.809
  706   2HA   GLY  30          2HA       GLY  30   3.620   3.156 -17.882
  707    H    ARG  31           H        ARG  31   2.236   1.587 -15.017
  708    HA   ARG  31           HA       ARG  31   4.754   0.024 -14.657
  709   1HB   ARG  31          1HB       ARG  31   3.479   1.819 -12.565
  710   2HB   ARG  31          2HB       ARG  31   4.993   0.931 -12.407
  711   1HG   ARG  31          1HG       ARG  31   5.863   2.264 -14.382
  712   2HG   ARG  31          2HG       ARG  31   4.415   3.263 -14.249
  713   1HD   ARG  31          1HD       ARG  31   5.091   3.540 -11.749
  714   2HD   ARG  31          2HD       ARG  31   6.688   2.982 -12.280
  715    HE   ARG  31           HE       ARG  31   5.593   5.580 -12.828
  716   1HH1  ARG  31          1HH1      ARG  31   8.031   3.373 -13.617
  717   2HH1  ARG  31          2HH1      ARG  31   8.521   4.182 -15.065
  718   1HH2  ARG  31          1HH2      ARG  31   5.914   6.463 -14.998
  719   2HH2  ARG  31          2HH2      ARG  31   7.327   5.930 -15.846
  720    H    SER  32           H        SER  32   4.021  -0.701 -11.959
  721    HA   SER  32           HA       SER  32   1.672  -2.466 -12.524
  722   1HB   SER  32          1HB       SER  32   3.973  -3.432 -12.073
  723   2HB   SER  32          2HB       SER  32   3.874  -2.746 -10.454
  724    HG   SER  32           HG       SER  32   2.666  -4.960 -11.517
  725    H    VAL  33           H        VAL  33   0.555  -3.067 -10.304
  726    HA   VAL  33           HA       VAL  33  -0.414  -0.581  -9.146
  727    HB   VAL  33           HB       VAL  33  -0.909  -3.519  -8.593
  728   1HG1  VAL  33          1HG1      VAL  33  -3.035  -1.616  -7.979
  729   2HG1  VAL  33          2HG1      VAL  33  -1.592  -1.351  -7.002
  730   3HG1  VAL  33          3HG1      VAL  33  -2.385  -2.927  -6.994
  731   1HG2  VAL  33          1HG2      VAL  33  -1.872  -1.533 -10.573
  732   2HG2  VAL  33          2HG2      VAL  33  -3.123  -2.534  -9.833
  733   3HG2  VAL  33          3HG2      VAL  33  -1.781  -3.291 -10.696
  734    H    ASN  34           H        ASN  34   2.021  -2.928  -8.322
  735    HA   ASN  34           HA       ASN  34   2.091  -2.425  -5.457
  736   1HB   ASN  34          1HB       ASN  34   3.873  -3.647  -7.563
  737   2HB   ASN  34          2HB       ASN  34   4.493  -3.398  -5.930
  738   1HD2  ASN  34          1HD2      ASN  34   4.106  -5.108  -4.523
  739   2HD2  ASN  34          2HD2      ASN  34   2.857  -6.247  -4.690
  740    H    SER  35           H        SER  35   3.391  -0.857  -8.310
  741    HA   SER  35           HA       SER  35   5.266   0.821  -6.775
  742   1HB   SER  35          1HB       SER  35   5.296  -0.146  -9.268
  743   2HB   SER  35          2HB       SER  35   4.441   1.357  -9.604
  744    HG   SER  35           HG       SER  35   6.163   2.500  -8.930
  745    H    GLU  36           H        GLU  36   2.022   1.021  -8.169
  746    HA   GLU  36           HA       GLU  36   1.706   3.873  -7.997
  747   1HB   GLU  36          1HB       GLU  36   0.360   2.043  -9.234
  748   2HB   GLU  36          2HB       GLU  36  -0.446   1.771  -7.688
  749   1HG   GLU  36          1HG       GLU  36  -0.248   4.602  -8.480
  750   2HG   GLU  36          2HG       GLU  36  -1.249   3.611  -9.538
  751    H    ILE  37           H        ILE  37   0.746   1.201  -5.815
  752    HA   ILE  37           HA       ILE  37  -0.313   2.888  -3.735
  753    HB   ILE  37           HB       ILE  37   0.863   0.084  -3.699
  754   1HG1  ILE  37          1HG1      ILE  37  -0.975   0.415  -5.343
  755   2HG1  ILE  37          2HG1      ILE  37  -1.456  -0.650  -4.024
  756   1HG2  ILE  37          1HG2      ILE  37  -0.416   1.765  -1.646
  757   2HG2  ILE  37          2HG2      ILE  37   0.564   0.310  -1.458
  758   3HG2  ILE  37          3HG2      ILE  37  -1.157   0.173  -1.830
  759   1HD1  ILE  37          1HD1      ILE  37  -2.448   1.378  -2.877
  760   2HD1  ILE  37          2HD1      ILE  37  -3.263   0.903  -4.365
  761   3HD1  ILE  37          3HD1      ILE  37  -2.156   2.277  -4.366
  762    H    TYR  38           H        TYR  38   2.923   1.715  -4.513
  763    HA   TYR  38           HA       TYR  38   4.183   2.315  -2.002
  764   1HB   TYR  38          1HB       TYR  38   5.089   0.808  -3.713
  765   2HB   TYR  38          2HB       TYR  38   5.202   2.147  -4.857
  766    HD1  TYR  38           HD1      TYR  38   7.388   2.866  -5.178
  767    HD2  TYR  38           HD2      TYR  38   6.113   1.661  -1.244
  768    HE1  TYR  38           HE1      TYR  38   9.638   3.458  -4.274
  769    HE2  TYR  38           HE2      TYR  38   8.361   2.248  -0.329
  770    HH   TYR  38           HH       TYR  38  10.721   3.979  -2.228
  771    H    GLN  39           H        GLN  39   3.706   4.202  -4.992
  772    HA   GLN  39           HA       GLN  39   5.285   6.477  -4.138
  773   1HB   GLN  39          1HB       GLN  39   3.546   5.624  -6.351
  774   2HB   GLN  39          2HB       GLN  39   3.442   7.353  -6.021
  775   1HG   GLN  39          1HG       GLN  39   5.345   7.573  -7.213
  776   2HG   GLN  39          2HG       GLN  39   6.170   6.806  -5.857
  777   1HE2  GLN  39          1HE2      GLN  39   7.184   4.832  -6.301
  778   2HE2  GLN  39          2HE2      GLN  39   6.893   3.885  -7.679
  779    H    ARG  40           H        ARG  40   1.778   5.791  -4.190
  780    HA   ARG  40           HA       ARG  40   0.887   8.270  -3.087
  781   1HB   ARG  40          1HB       ARG  40  -0.279   5.491  -2.704
  782   2HB   ARG  40          2HB       ARG  40  -1.161   7.015  -2.673
  783   1HG   ARG  40          1HG       ARG  40   0.329   6.801  -5.139
  784   2HG   ARG  40          2HG       ARG  40  -0.672   5.366  -4.918
  785   1HD   ARG  40          1HD       ARG  40  -2.647   6.832  -4.508
  786   2HD   ARG  40          2HD       ARG  40  -1.631   8.250  -4.839
  787    HE   ARG  40           HE       ARG  40  -2.290   6.121  -6.830
  788   1HH1  ARG  40          1HH1      ARG  40   0.213   8.215  -6.467
  789   2HH1  ARG  40          2HH1      ARG  40  -0.115   9.182  -7.867
  790   1HH2  ARG  40          1HH2      ARG  40  -3.233   7.779  -8.432
  791   2HH2  ARG  40          2HH2      ARG  40  -2.064   8.934  -8.978
  792    H    VAL  41           H        VAL  41   2.386   5.466  -1.666
  793    HA   VAL  41           HA       VAL  41   1.694   6.195   1.114
  794    HB   VAL  41           HB       VAL  41   3.257   4.021  -0.302
  795   1HG1  VAL  41          1HG1      VAL  41   2.716   4.251   2.675
  796   2HG1  VAL  41          2HG1      VAL  41   4.295   4.441   1.910
  797   3HG1  VAL  41          3HG1      VAL  41   3.473   2.880   1.858
  798   1HG2  VAL  41          1HG2      VAL  41   0.906   3.516   1.449
  799   2HG2  VAL  41          2HG2      VAL  41   1.355   2.757  -0.078
  800   3HG2  VAL  41          3HG2      VAL  41   0.603   4.349  -0.075
  801    H    MET  42           H        MET  42   4.293   6.581  -1.175
  802    HA   MET  42           HA       MET  42   6.397   7.121   0.759
  803   1HB   MET  42          1HB       MET  42   6.013   6.744  -2.060
  804   2HB   MET  42          2HB       MET  42   6.923   8.233  -1.814
  805   1HG   MET  42          1HG       MET  42   7.614   5.577  -0.530
  806   2HG   MET  42          2HG       MET  42   8.385   6.209  -1.986
  807   1HE   MET  42          1HE       MET  42  10.388   5.572  -0.599
  808   2HE   MET  42          2HE       MET  42  11.323   6.841   0.188
  809   3HE   MET  42          3HE       MET  42  10.864   7.015  -1.503
  810    H    GLU  43           H        GLU  43   4.723   9.253  -1.600
  811    HA   GLU  43           HA       GLU  43   5.749  11.722  -0.802
  812   1HB   GLU  43          1HB       GLU  43   3.669  12.617  -1.780
  813   2HB   GLU  43          2HB       GLU  43   4.278  11.266  -2.739
  814   1HG   GLU  43          1HG       GLU  43   2.723   9.759  -1.426
  815   2HG   GLU  43          2HG       GLU  43   2.014  11.214  -0.726
  816    H    SER  44           H        SER  44   3.174   9.846   0.769
  817    HA   SER  44           HA       SER  44   2.149  11.874   2.484
  818   1HB   SER  44          1HB       SER  44   2.417   8.867   2.686
  819   2HB   SER  44          2HB       SER  44   1.541   9.814   3.884
  820    HG   SER  44           HG       SER  44   0.314   8.939   2.025
  821    H    PHE  45           H        PHE  45   4.692   9.429   3.157
  822    HA   PHE  45           HA       PHE  45   5.334  10.299   5.783
  823   1HB   PHE  45          1HB       PHE  45   6.823   8.909   3.553
  824   2HB   PHE  45          2HB       PHE  45   7.568   9.177   5.129
  825    HD1  PHE  45           HD1      PHE  45   6.259   6.628   3.407
  826    HD2  PHE  45           HD2      PHE  45   5.390   8.807   7.030
  827    HE1  PHE  45           HE1      PHE  45   5.072   4.636   4.321
  828    HE2  PHE  45           HE2      PHE  45   4.204   6.815   7.944
  829    HZ   PHE  45           HZ       PHE  45   4.050   4.728   6.591
  830    H    LYS  46           H        LYS  46   6.345  11.542   2.633
  831    HA   LYS  46           HA       LYS  46   8.525  13.168   3.667
  832   1HB   LYS  46          1HB       LYS  46   6.926  13.085   1.096
  833   2HB   LYS  46          2HB       LYS  46   8.305  14.160   1.334
  834   1HG   LYS  46          1HG       LYS  46   9.424  11.850   2.146
  835   2HG   LYS  46          2HG       LYS  46   8.244  11.203   1.006
  836   1HD   LYS  46          1HD       LYS  46   9.425  11.940  -0.768
  837   2HD   LYS  46          2HD       LYS  46   9.595  13.550  -0.068
  838   1HE   LYS  46          1HE       LYS  46  11.786  13.061   0.265
  839   2HE   LYS  46          2HE       LYS  46  11.262  11.886   1.488
  840   1HZ   LYS  46          1HZ       LYS  46  11.033  10.214  -0.172
  841   2HZ   LYS  46          2HZ       LYS  46  12.575  10.899  -0.367
  842   3HZ   LYS  46          3HZ       LYS  46  11.314  11.320  -1.426
  843    H    LYS  47           H        LYS  47   5.069  13.669   3.130
  844    HA   LYS  47           HA       LYS  47   4.920  16.484   3.122
  845   1HB   LYS  47          1HB       LYS  47   3.103  14.744   2.797
  846   2HB   LYS  47          2HB       LYS  47   3.056  14.570   4.552
  847   1HG   LYS  47          1HG       LYS  47   2.973  17.365   3.907
  848   2HG   LYS  47          2HG       LYS  47   1.740  16.530   2.963
  849   1HD   LYS  47          1HD       LYS  47   0.981  15.405   5.081
  850   2HD   LYS  47          2HD       LYS  47   2.102  16.436   5.968
  851   1HE   LYS  47          1HE       LYS  47   0.948  18.449   5.075
  852   2HE   LYS  47          2HE       LYS  47  -0.211  17.392   4.243
  853   1HZ   LYS  47          1HZ       LYS  47   0.269  17.639   7.155
  854   2HZ   LYS  47          2HZ       LYS  47  -0.531  16.297   6.485
  855   3HZ   LYS  47          3HZ       LYS  47  -1.188  17.855   6.314
  856    H    GLU  48           H        GLU  48   4.851  14.291   5.963
  857    HA   GLU  48           HA       GLU  48   4.936  16.528   7.850
  858   1HB   GLU  48          1HB       GLU  48   5.043  13.513   7.976
  859   2HB   GLU  48          2HB       GLU  48   5.278  14.489   9.426
  860   1HG   GLU  48          1HG       GLU  48   3.004  15.512   8.017
  861   2HG   GLU  48          2HG       GLU  48   2.815  13.766   8.183
  862    H    GLY  49           H        GLY  49   7.188  13.805   7.199
  863   1HA   GLY  49          1HA       GLY  49   9.584  14.586   6.707
  864   2HA   GLY  49          2HA       GLY  49   9.404  15.569   8.160
  865    H    ARG  50           H        ARG  50   8.313  12.229   7.597
  866    HA   ARG  50           HA       ARG  50   9.491  11.382  10.149
  867   1HB   ARG  50          1HB       ARG  50   7.582  10.450   8.122
  868   2HB   ARG  50          2HB       ARG  50   8.572   9.149   8.783
  869   1HG   ARG  50          1HG       ARG  50   7.325   9.152  10.653
  870   2HG   ARG  50          2HG       ARG  50   7.789  10.828  10.955
  871   1HD   ARG  50          1HD       ARG  50   5.948  11.556   9.396
  872   2HD   ARG  50          2HD       ARG  50   5.424   9.864   9.309
  873    HE   ARG  50           HE       ARG  50   5.627  11.338  11.911
  874   1HH1  ARG  50          1HH1      ARG  50   3.058  11.037  10.136
  875   2HH1  ARG  50          2HH1      ARG  50   2.239   9.795  11.025
  876   1HH2  ARG  50          1HH2      ARG  50   5.030   8.916  12.885
  877   2HH2  ARG  50          2HH2      ARG  50   3.357   8.592  12.577
  878    H    ILE  51           H        ILE  51  10.269  11.130   6.724
  879    HA   ILE  51           HA       ILE  51  12.310   9.060   7.105
  880    HB   ILE  51           HB       ILE  51  11.645  10.923   4.799
  881   1HG1  ILE  51          1HG1      ILE  51  10.873   8.017   5.125
  882   2HG1  ILE  51          2HG1      ILE  51   9.840   9.321   5.712
  883   1HG2  ILE  51          1HG2      ILE  51  13.860   9.227   5.171
  884   2HG2  ILE  51          2HG2      ILE  51  13.322   9.944   3.652
  885   3HG2  ILE  51          3HG2      ILE  51  12.765   8.336   4.113
  886   1HD1  ILE  51          1HD1      ILE  51   9.120   8.723   3.472
  887   2HD1  ILE  51          2HD1      ILE  51  10.764   8.886   2.857
  888   3HD1  ILE  51          3HD1      ILE  51   9.883  10.312   3.406
  889    H    GLY  52           H        GLY  52  12.180  12.537   7.266
  890   1HA   GLY  52          1HA       GLY  52  14.290  13.358   8.537
  891   2HA   GLY  52          2HA       GLY  52  15.160  12.675   7.163
  892    H    ALA  53           H        ALA  53  12.993  13.503   5.284
  893    HA   ALA  53           HA       ALA  53  13.978  16.233   4.802
  894   1HB   ALA  53          1HB       ALA  53  13.573  14.315   3.124
  895   2HB   ALA  53          2HB       ALA  53  12.981  15.911   2.664
  896   3HB   ALA  53          3HB       ALA  53  11.860  14.700   3.284
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1   7.458 -22.707   5.739
    2   2H    MET   1          2H        MET   1   9.057 -22.739   6.315
    3   3H    MET   1          3H        MET   1   8.230 -21.261   6.178
    4    HA   MET   1           HA       MET   1   6.569 -22.216   7.840
    5   1HB   MET   1          1HB       MET   1   7.908 -24.481   7.246
    6   2HB   MET   1          2HB       MET   1   8.830 -23.979   8.663
    7   1HG   MET   1          1HG       MET   1   5.922 -23.727   9.012
    8   2HG   MET   1          2HG       MET   1   6.457 -25.385   8.740
    9   1HE   MET   1          1HE       MET   1   8.563 -26.408   9.985
   10   2HE   MET   1          2HE       MET   1   6.957 -26.842  10.564
   11   3HE   MET   1          3HE       MET   1   8.243 -26.503  11.721
   12    H    LYS   2           H        LYS   2   6.797 -21.210   9.884
   13    HA   LYS   2           HA       LYS   2   9.452 -20.411  10.874
   14   1HB   LYS   2          1HB       LYS   2   8.881 -17.981  10.678
   15   2HB   LYS   2          2HB       LYS   2   9.021 -18.772   9.108
   16   1HG   LYS   2          1HG       LYS   2   6.517 -19.118   9.159
   17   2HG   LYS   2          2HG       LYS   2   6.470 -18.091  10.592
   18   1HD   LYS   2          1HD       LYS   2   7.005 -16.178   9.415
   19   2HD   LYS   2          2HD       LYS   2   7.916 -17.062   8.188
   20   1HE   LYS   2          1HE       LYS   2   5.888 -16.314   7.116
   21   2HE   LYS   2          2HE       LYS   2   5.660 -18.046   7.438
   22   1HZ   LYS   2          1HZ       LYS   2   4.522 -17.534   9.465
   23   2HZ   LYS   2          2HZ       LYS   2   3.780 -16.656   8.216
   24   3HZ   LYS   2          3HZ       LYS   2   4.835 -15.877   9.294
   25    H    GLY   3           H        GLY   3   8.879 -18.612  12.747
   26   1HA   GLY   3          1HA       GLY   3   6.438 -19.570  14.174
   27   2HA   GLY   3          2HA       GLY   3   7.991 -19.522  15.009
   28    H    MET   4           H        MET   4   6.513 -17.184  12.748
   29    HA   MET   4           HA       MET   4   5.956 -15.246  14.855
   30   1HB   MET   4          1HB       MET   4   8.603 -15.527  13.958
   31   2HB   MET   4          2HB       MET   4   8.000 -14.087  13.138
   32   1HG   MET   4          1HG       MET   4   7.092 -14.036  15.863
   33   2HG   MET   4          2HG       MET   4   8.829 -14.338  15.856
   34   1HE   MET   4          1HE       MET   4   9.483 -12.172  16.989
   35   2HE   MET   4          2HE       MET   4   7.762 -11.874  17.217
   36   3HE   MET   4          3HE       MET   4   8.799 -10.587  16.604
   37    H    SER   5           H        SER   5   5.939 -12.909  13.494
   38    HA   SER   5           HA       SER   5   4.128 -13.475  11.180
   39   1HB   SER   5          1HB       SER   5   4.464 -11.094  13.031
   40   2HB   SER   5          2HB       SER   5   3.292 -11.177  11.720
   41    HG   SER   5           HG       SER   5   2.410 -11.808  13.749
   42    H    LYS   6           H        LYS   6   4.792 -12.848   9.159
   43    HA   LYS   6           HA       LYS   6   7.177 -11.035   8.970
   44   1HB   LYS   6          1HB       LYS   6   6.294 -13.542   7.638
   45   2HB   LYS   6          2HB       LYS   6   7.082 -12.354   6.600
   46   1HG   LYS   6          1HG       LYS   6   8.254 -13.236   9.246
   47   2HG   LYS   6          2HG       LYS   6   8.638 -14.035   7.721
   48   1HD   LYS   6          1HD       LYS   6  10.064 -12.391   7.135
   49   2HD   LYS   6          2HD       LYS   6   8.855 -11.149   7.467
   50   1HE   LYS   6          1HE       LYS   6  10.299 -10.571   9.158
   51   2HE   LYS   6          2HE       LYS   6   9.531 -11.922  10.013
   52   1HZ   LYS   6          1HZ       LYS   6  11.172 -13.420   9.090
   53   2HZ   LYS   6          2HZ       LYS   6  11.957 -12.167   9.927
   54   3HZ   LYS   6          3HZ       LYS   6  11.899 -12.151   8.229
   55    H    MET   7           H        MET   7   7.145  -9.490   7.189
   56    HA   MET   7           HA       MET   7   4.754  -8.054   6.803
   57   1HB   MET   7          1HB       MET   7   6.040  -6.907   5.071
   58   2HB   MET   7          2HB       MET   7   7.126  -7.327   6.394
   59   1HG   MET   7          1HG       MET   7   7.426  -9.550   4.939
   60   2HG   MET   7          2HG       MET   7   6.973  -8.451   3.635
   61   1HE   MET   7          1HE       MET   7   8.121  -7.060   2.562
   62   2HE   MET   7          2HE       MET   7   9.438  -8.198   2.291
   63   3HE   MET   7          3HE       MET   7   9.800  -6.536   2.749
   64    HA   PRO   8           HA       PRO   8   2.492 -10.247   3.735
   65   1HB   PRO   8          1HB       PRO   8   1.545  -8.243   2.127
   66   2HB   PRO   8          2HB       PRO   8   0.919  -8.553   3.759
   67   1HG   PRO   8          1HG       PRO   8   2.862  -6.492   2.838
   68   2HG   PRO   8          2HG       PRO   8   1.557  -6.363   4.028
   69   1HD   PRO   8          1HD       PRO   8   4.169  -6.641   4.714
   70   2HD   PRO   8          2HD       PRO   8   2.829  -7.232   5.719
   71    H    GLN   9           H        GLN   9   2.552 -10.914   1.460
   72    HA   GLN   9           HA       GLN   9   5.186 -10.782   0.268
   73   1HB   GLN   9          1HB       GLN   9   2.488 -11.740  -0.741
   74   2HB   GLN   9          2HB       GLN   9   4.032 -12.097  -1.516
   75   1HG   GLN   9          1HG       GLN   9   4.512 -12.811   1.103
   76   2HG   GLN   9          2HG       GLN   9   2.828 -13.290   0.882
   77   1HE2  GLN   9          1HE2      GLN   9   5.955 -13.495  -0.922
   78   2HE2  GLN   9          2HE2      GLN   9   5.674 -15.060  -1.516
   79    H    PHE  10           H        PHE  10   2.292  -8.864  -0.054
   80    HA   PHE  10           HA       PHE  10   2.775  -7.822  -2.703
   81   1HB   PHE  10          1HB       PHE  10   0.595  -7.769  -1.624
   82   2HB   PHE  10          2HB       PHE  10   1.240  -6.819  -0.285
   83    HD1  PHE  10           HD1      PHE  10   1.352  -4.453  -0.400
   84    HD2  PHE  10           HD2      PHE  10   0.647  -6.754  -3.982
   85    HE1  PHE  10           HE1      PHE  10   0.888  -2.351  -1.656
   86    HE2  PHE  10           HE2      PHE  10   0.182  -4.651  -5.240
   87    HZ   PHE  10           HZ       PHE  10   0.303  -2.450  -4.078
   88    H    LEU  11           H        LEU  11   4.103  -7.084   0.442
   89    HA   LEU  11           HA       LEU  11   5.206  -4.495  -0.538
   90   1HB   LEU  11          1HB       LEU  11   5.020  -5.869   2.157
   91   2HB   LEU  11          2HB       LEU  11   5.847  -4.328   1.914
   92    HG   LEU  11           HG       LEU  11   2.971  -4.802   1.095
   93   1HD1  LEU  11          1HD1      LEU  11   3.753  -4.891   3.674
   94   2HD1  LEU  11          2HD1      LEU  11   2.229  -4.159   3.168
   95   3HD1  LEU  11          3HD1      LEU  11   3.638  -3.143   3.472
   96   1HD2  LEU  11          1HD2      LEU  11   4.890  -2.521   1.088
   97   2HD2  LEU  11          2HD2      LEU  11   3.221  -2.153   1.521
   98   3HD2  LEU  11          3HD2      LEU  11   3.586  -2.894  -0.038
   99    H    ASN  12           H        ASN  12   6.187  -7.233  -1.407
  100    HA   ASN  12           HA       ASN  12   8.808  -7.565  -0.142
  101   1HB   ASN  12          1HB       ASN  12   7.039  -9.089  -1.650
  102   2HB   ASN  12          2HB       ASN  12   8.363  -8.779  -2.775
  103   1HD2  ASN  12          1HD2      ASN  12   8.068  -9.577   0.745
  104   2HD2  ASN  12          2HD2      ASN  12   9.295 -10.749   0.726
  105    H    ARG  13           H        ARG  13   7.490  -5.729  -2.796
  106    HA   ARG  13           HA       ARG  13  10.088  -5.324  -4.117
  107   1HB   ARG  13          1HB       ARG  13   7.682  -5.446  -5.113
  108   2HB   ARG  13          2HB       ARG  13   7.543  -3.773  -4.573
  109   1HG   ARG  13          1HG       ARG  13   9.547  -3.174  -5.874
  110   2HG   ARG  13          2HG       ARG  13   9.706  -4.847  -6.407
  111   1HD   ARG  13          1HD       ARG  13   7.029  -3.669  -6.866
  112   2HD   ARG  13          2HD       ARG  13   8.342  -2.948  -7.820
  113    HE   ARG  13           HE       ARG  13   8.768  -5.718  -7.928
  114   1HH1  ARG  13          1HH1      ARG  13   5.646  -5.315  -7.893
  115   2HH1  ARG  13          2HH1      ARG  13   5.327  -5.444  -9.590
  116   1HH2  ARG  13          1HH2      ARG  13   8.651  -5.090 -10.512
  117   2HH2  ARG  13          2HH2      ARG  13   7.028  -5.316 -11.073
  118    H    TRP  14           H        TRP  14   8.145  -3.781  -1.685
  119    HA   TRP  14           HA       TRP  14   9.167  -1.107  -1.858
  120   1HB   TRP  14          1HB       TRP  14   7.954  -2.829   0.309
  121   2HB   TRP  14          2HB       TRP  14   8.351  -1.136   0.561
  122    HD1  TRP  14           HD1      TRP  14   6.959  -2.413  -2.784
  123    HE1  TRP  14           HE1      TRP  14   4.638  -1.358  -3.156
  124    HE3  TRP  14           HE3      TRP  14   6.355  -0.104   1.707
  125    HZ2  TRP  14           HZ2      TRP  14   2.744   0.275  -1.713
  126    HZ3  TRP  14           HZ3      TRP  14   4.280   1.199   2.211
  127    HH2  TRP  14           HH2      TRP  14   2.480   1.388   0.501
  128    HA   PRO  15           HA       PRO  15  13.233  -1.835  -0.279
  129   1HB   PRO  15          1HB       PRO  15  13.819   0.670   0.643
  130   2HB   PRO  15          2HB       PRO  15  13.835   0.229  -1.074
  131   1HG   PRO  15          1HG       PRO  15  11.761   1.669   0.494
  132   2HG   PRO  15          2HG       PRO  15  12.309   1.938  -1.166
  133   1HD   PRO  15          1HD       PRO  15   9.991   0.638  -0.536
  134   2HD   PRO  15          2HD       PRO  15  10.911   0.337  -2.026
  135    H    ARG  16           H        ARG  16  14.411  -1.858   1.728
  136    HA   ARG  16           HA       ARG  16  12.944  -2.674   4.004
  137   1HB   ARG  16          1HB       ARG  16  15.574  -2.539   3.058
  138   2HB   ARG  16          2HB       ARG  16  15.591  -1.576   4.533
  139   1HG   ARG  16          1HG       ARG  16  14.483  -3.428   5.726
  140   2HG   ARG  16          2HG       ARG  16  14.544  -4.384   4.246
  141   1HD   ARG  16          1HD       ARG  16  16.828  -4.745   4.406
  142   2HD   ARG  16          2HD       ARG  16  17.111  -3.200   5.233
  143    HE   ARG  16           HE       ARG  16  15.672  -5.428   6.619
  144   1HH1  ARG  16          1HH1      ARG  16  18.555  -5.753   6.949
  145   2HH1  ARG  16          2HH1      ARG  16  18.919  -4.775   8.332
  146   1HH2  ARG  16          1HH2      ARG  16  15.951  -2.988   8.182
  147   2HH2  ARG  16          2HH2      ARG  16  17.444  -3.210   9.031
  148    H    GLU  17           H        GLU  17  14.445   0.420   3.206
  149    HA   GLU  17           HA       GLU  17  14.099   1.752   5.685
  150   1HB   GLU  17          1HB       GLU  17  14.112   2.738   2.819
  151   2HB   GLU  17          2HB       GLU  17  14.280   3.793   4.224
  152   1HG   GLU  17          1HG       GLU  17  16.205   2.159   4.906
  153   2HG   GLU  17          2HG       GLU  17  16.179   1.693   3.204
  154    H    VAL  18           H        VAL  18  11.908   1.734   2.840
  155    HA   VAL  18           HA       VAL  18   9.923   3.436   4.029
  156    HB   VAL  18           HB       VAL  18   9.845   1.348   1.828
  157   1HG1  VAL  18          1HG1      VAL  18   7.859   3.582   2.338
  158   2HG1  VAL  18          2HG1      VAL  18   7.579   1.907   2.817
  159   3HG1  VAL  18          3HG1      VAL  18   7.756   2.319   1.112
  160   1HG2  VAL  18          1HG2      VAL  18  11.369   3.412   1.670
  161   2HG2  VAL  18          2HG2      VAL  18   9.884   4.364   1.600
  162   3HG2  VAL  18          3HG2      VAL  18  10.229   3.172   0.346
  163    H    LEU  19           H        LEU  19  10.032  -0.141   3.707
  164    HA   LEU  19           HA       LEU  19   7.571  -0.645   5.066
  165   1HB   LEU  19          1HB       LEU  19  10.108  -2.272   4.724
  166   2HB   LEU  19          2HB       LEU  19   8.570  -2.938   5.275
  167    HG   LEU  19           HG       LEU  19   8.851  -1.433   2.665
  168   1HD1  LEU  19          1HD1      LEU  19   9.688  -3.268   1.655
  169   2HD1  LEU  19          2HD1      LEU  19   8.510  -4.317   2.442
  170   3HD1  LEU  19          3HD1      LEU  19  10.016  -3.908   3.264
  171   1HD2  LEU  19          1HD2      LEU  19   6.586  -1.758   3.812
  172   2HD2  LEU  19          2HD2      LEU  19   6.799  -3.486   3.530
  173   3HD2  LEU  19          3HD2      LEU  19   6.706  -2.374   2.165
  174    H    ASP  20           H        ASP  20  10.773   0.079   6.254
  175    HA   ASP  20           HA       ASP  20  10.422  -0.954   8.936
  176   1HB   ASP  20          1HB       ASP  20  12.569  -0.407   7.676
  177   2HB   ASP  20          2HB       ASP  20  12.215   1.295   7.980
  178    H    LEU  21           H        LEU  21   9.472   1.966   7.292
  179    HA   LEU  21           HA       LEU  21   8.924   3.441   9.795
  180   1HB   LEU  21          1HB       LEU  21   9.872   4.481   7.729
  181   2HB   LEU  21          2HB       LEU  21   8.387   4.071   6.872
  182    HG   LEU  21           HG       LEU  21   7.513   5.357   9.194
  183   1HD1  LEU  21          1HD1      LEU  21   9.280   6.594   9.883
  184   2HD1  LEU  21          2HD1      LEU  21   8.974   7.576   8.450
  185   3HD1  LEU  21          3HD1      LEU  21  10.180   6.291   8.397
  186   1HD2  LEU  21          1HD2      LEU  21   7.961   6.818   6.602
  187   2HD2  LEU  21          2HD2      LEU  21   6.569   6.873   7.683
  188   3HD2  LEU  21          3HD2      LEU  21   6.838   5.457   6.666
  189    H    VAL  22           H        VAL  22   7.117   2.033   7.059
  190    HA   VAL  22           HA       VAL  22   4.491   2.749   7.714
  191    HB   VAL  22           HB       VAL  22   5.505   0.070   6.704
  192   1HG1  VAL  22          1HG1      VAL  22   3.026   0.408   7.344
  193   2HG1  VAL  22          2HG1      VAL  22   3.369  -0.208   5.726
  194   3HG1  VAL  22          3HG1      VAL  22   2.949   1.490   5.952
  195   1HG2  VAL  22          1HG2      VAL  22   4.693   1.719   4.566
  196   2HG2  VAL  22          2HG2      VAL  22   6.342   1.225   4.952
  197   3HG2  VAL  22          3HG2      VAL  22   5.699   2.741   5.590
  198    H    ARG  23           H        ARG  23   6.442   0.075   9.039
  199    HA   ARG  23           HA       ARG  23   4.357  -1.131  10.599
  200   1HB   ARG  23          1HB       ARG  23   6.260  -2.247  11.693
  201   2HB   ARG  23          2HB       ARG  23   6.528  -2.163   9.951
  202   1HG   ARG  23          1HG       ARG  23   7.770   0.057  10.464
  203   2HG   ARG  23          2HG       ARG  23   7.808  -0.517  12.130
  204   1HD   ARG  23          1HD       ARG  23   8.866  -2.073   9.741
  205   2HD   ARG  23          2HD       ARG  23   9.867  -1.188  10.910
  206    HE   ARG  23           HE       ARG  23   8.435  -3.702  11.433
  207   1HH1  ARG  23          1HH1      ARG  23  11.189  -2.428  12.358
  208   2HH1  ARG  23          2HH1      ARG  23  10.913  -2.403  14.067
  209   1HH2  ARG  23          1HH2      ARG  23   7.508  -2.998  13.793
  210   2HH2  ARG  23          2HH2      ARG  23   8.828  -2.725  14.880
  211    H    LYS  24           H        LYS  24   6.676   1.476  11.310
  212    HA   LYS  24           HA       LYS  24   5.970   1.652  14.131
  213   1HB   LYS  24          1HB       LYS  24   7.893   2.669  12.297
  214   2HB   LYS  24          2HB       LYS  24   7.108   4.060  13.043
  215   1HG   LYS  24          1HG       LYS  24   7.650   2.017  15.027
  216   2HG   LYS  24          2HG       LYS  24   9.127   2.453  14.171
  217   1HD   LYS  24          1HD       LYS  24   9.252   4.356  15.361
  218   2HD   LYS  24          2HD       LYS  24   7.702   4.868  14.695
  219   1HE   LYS  24          1HE       LYS  24   6.744   4.587  16.725
  220   2HE   LYS  24          2HE       LYS  24   7.209   2.875  16.711
  221   1HZ   LYS  24          1HZ       LYS  24   9.527   3.731  17.262
  222   2HZ   LYS  24          2HZ       LYS  24   8.375   3.769  18.509
  223   3HZ   LYS  24          3HZ       LYS  24   8.774   5.194  17.674
  224    H    VAL  25           H        VAL  25   4.608   2.886  11.186
  225    HA   VAL  25           HA       VAL  25   3.194   5.119  12.493
  226    HB   VAL  25           HB       VAL  25   3.184   3.882   9.721
  227   1HG1  VAL  25          1HG1      VAL  25   1.020   5.034  10.334
  228   2HG1  VAL  25          2HG1      VAL  25   1.878   5.767   8.978
  229   3HG1  VAL  25          3HG1      VAL  25   1.950   6.513  10.574
  230   1HG2  VAL  25          1HG2      VAL  25   5.271   4.957  10.149
  231   2HG2  VAL  25          2HG2      VAL  25   4.490   6.309  10.965
  232   3HG2  VAL  25          3HG2      VAL  25   4.325   6.119   9.219
  233    H    ALA  26           H        ALA  26   2.484   1.855  11.303
  234    HA   ALA  26           HA       ALA  26  -0.378   2.005  11.588
  235   1HB   ALA  26          1HB       ALA  26   1.499  -0.374  11.775
  236   2HB   ALA  26          2HB       ALA  26   0.959   0.345  10.258
  237   3HB   ALA  26          3HB       ALA  26  -0.206  -0.418  11.337
  238    H    GLU  27           H        GLU  27   2.257   0.998  13.757
  239    HA   GLU  27           HA       GLU  27   0.546   0.068  15.891
  240   1HB   GLU  27          1HB       GLU  27   3.421   1.018  15.718
  241   2HB   GLU  27          2HB       GLU  27   2.724   0.309  17.176
  242   1HG   GLU  27          1HG       GLU  27   2.409  -1.166  14.589
  243   2HG   GLU  27          2HG       GLU  27   3.978  -1.211  15.394
  244    H    GLU  28           H        GLU  28   1.532   3.236  14.824
  245    HA   GLU  28           HA       GLU  28   1.088   4.533  17.425
  246   1HB   GLU  28          1HB       GLU  28   1.702   5.365  14.593
  247   2HB   GLU  28          2HB       GLU  28   1.274   6.575  15.803
  248   1HG   GLU  28          1HG       GLU  28   3.296   4.578  16.647
  249   2HG   GLU  28          2HG       GLU  28   3.815   5.715  15.401
  250    H    ASN  29           H        ASN  29  -0.545   4.745  14.231
  251    HA   ASN  29           HA       ASN  29  -2.786   6.256  15.013
  252   1HB   ASN  29          1HB       ASN  29  -2.103   4.255  12.910
  253   2HB   ASN  29          2HB       ASN  29  -3.808   4.668  13.095
  254   1HD2  ASN  29          1HD2      ASN  29  -0.600   6.048  12.371
  255   2HD2  ASN  29          2HD2      ASN  29  -1.189   7.479  11.673
  256    H    GLY  30           H        GLY  30  -2.342   2.711  15.139
  257   1HA   GLY  30          1HA       GLY  30  -3.337   1.577  17.149
  258   2HA   GLY  30          2HA       GLY  30  -4.758   2.594  16.902
  259    H    ARG  31           H        ARG  31  -2.829   0.782  14.516
  260    HA   ARG  31           HA       ARG  31  -4.983  -1.185  14.117
  261   1HB   ARG  31          1HB       ARG  31  -5.432  -0.424  11.813
  262   2HB   ARG  31          2HB       ARG  31  -5.761   0.873  12.961
  263   1HG   ARG  31          1HG       ARG  31  -3.103   1.283  12.423
  264   2HG   ARG  31          2HG       ARG  31  -3.692   0.700  10.866
  265   1HD   ARG  31          1HD       ARG  31  -5.439   2.693  12.200
  266   2HD   ARG  31          2HD       ARG  31  -3.876   3.305  11.626
  267    HE   ARG  31           HE       ARG  31  -4.629   1.870   9.474
  268   1HH1  ARG  31          1HH1      ARG  31  -5.061   4.803   9.370
  269   2HH1  ARG  31          2HH1      ARG  31  -6.764   4.926   9.083
  270   1HH2  ARG  31          1HH2      ARG  31  -7.431   1.659  10.031
  271   2HH2  ARG  31          2HH2      ARG  31  -8.106   3.148   9.459
  272    H    SER  32           H        SER  32  -4.204  -1.905  11.479
  273    HA   SER  32           HA       SER  32  -1.495  -3.029  12.009
  274   1HB   SER  32          1HB       SER  32  -3.990  -3.850  10.658
  275   2HB   SER  32          2HB       SER  32  -2.520  -4.288   9.792
  276    HG   SER  32           HG       SER  32  -2.682  -5.912  11.176
  277    H    VAL  33           H        VAL  33  -0.280  -3.383   9.777
  278    HA   VAL  33           HA       VAL  33   0.193  -0.750   8.651
  279    HB   VAL  33           HB       VAL  33   1.192  -3.553   8.082
  280   1HG1  VAL  33          1HG1      VAL  33   3.081  -1.658   7.243
  281   2HG1  VAL  33          2HG1      VAL  33   1.541  -1.082   6.607
  282   3HG1  VAL  33          3HG1      VAL  33   2.106  -2.703   6.211
  283   1HG2  VAL  33          1HG2      VAL  33   2.817  -3.120   9.651
  284   2HG2  VAL  33          2HG2      VAL  33   1.562  -2.058  10.295
  285   3HG2  VAL  33          3HG2      VAL  33   2.852  -1.393   9.289
  286    H    ASN  34           H        ASN  34  -1.835  -3.448   7.820
  287    HA   ASN  34           HA       ASN  34  -2.043  -2.925   4.967
  288   1HB   ASN  34          1HB       ASN  34  -2.631  -5.031   6.325
  289   2HB   ASN  34          2HB       ASN  34  -4.098  -4.181   6.810
  290   1HD2  ASN  34          1HD2      ASN  34  -4.067  -6.596   5.157
  291   2HD2  ASN  34          2HD2      ASN  34  -4.712  -6.173   3.645
  292    H    SER  35           H        SER  35  -3.531  -1.652   7.875
  293    HA   SER  35           HA       SER  35  -5.653  -0.225   6.408
  294   1HB   SER  35          1HB       SER  35  -4.710  -0.375   9.283
  295   2HB   SER  35          2HB       SER  35  -6.040   0.662   8.778
  296    HG   SER  35           HG       SER  35  -6.650  -1.481   9.515
  297    H    GLU  36           H        GLU  36  -2.507   0.449   7.909
  298    HA   GLU  36           HA       GLU  36  -2.608   3.306   7.812
  299   1HB   GLU  36          1HB       GLU  36  -0.981   1.630   8.949
  300   2HB   GLU  36          2HB       GLU  36  -0.155   1.593   7.392
  301   1HG   GLU  36          1HG       GLU  36  -0.604   4.309   7.908
  302   2HG   GLU  36          2HG       GLU  36  -0.085   3.633   9.451
  303    H    ILE  37           H        ILE  37  -1.119   0.960   5.553
  304    HA   ILE  37           HA       ILE  37  -0.438   2.859   3.517
  305    HB   ILE  37           HB       ILE  37  -1.088  -0.111   3.427
  306   1HG1  ILE  37          1HG1      ILE  37   0.733   0.652   5.018
  307   2HG1  ILE  37          2HG1      ILE  37   1.265  -0.474   3.774
  308   1HG2  ILE  37          1HG2      ILE  37  -0.172   1.803   1.373
  309   2HG2  ILE  37          2HG2      ILE  37  -0.952   0.233   1.183
  310   3HG2  ILE  37          3HG2      ILE  37   0.785   0.324   1.485
  311   1HD1  ILE  37          1HD1      ILE  37   2.093   1.423   2.414
  312   2HD1  ILE  37          2HD1      ILE  37   2.864   1.385   4.000
  313   3HD1  ILE  37          3HD1      ILE  37   1.575   2.543   3.674
  314    H    TYR  38           H        TYR  38  -3.458   1.345   4.412
  315    HA   TYR  38           HA       TYR  38  -4.796   1.690   1.856
  316   1HB   TYR  38          1HB       TYR  38  -5.458  -0.008   3.461
  317   2HB   TYR  38          2HB       TYR  38  -5.706   1.214   4.710
  318    HD1  TYR  38           HD1      TYR  38  -7.947   1.628   5.155
  319    HD2  TYR  38           HD2      TYR  38  -6.712   0.819   1.108
  320    HE1  TYR  38           HE1      TYR  38 -10.290   1.958   4.379
  321    HE2  TYR  38           HE2      TYR  38  -9.056   1.149   0.321
  322    HH   TYR  38           HH       TYR  38 -11.160   2.581   1.377
  323    H    GLN  39           H        GLN  39  -4.520   3.594   4.848
  324    HA   GLN  39           HA       GLN  39  -6.498   5.580   4.035
  325   1HB   GLN  39          1HB       GLN  39  -5.198   4.785   6.357
  326   2HB   GLN  39          2HB       GLN  39  -4.455   6.344   6.007
  327   1HG   GLN  39          1HG       GLN  39  -6.470   6.596   7.427
  328   2HG   GLN  39          2HG       GLN  39  -6.672   7.394   5.868
  329   1HE2  GLN  39          1HE2      GLN  39  -6.911   3.871   6.514
  330   2HE2  GLN  39          2HE2      GLN  39  -8.539   3.741   6.055
  331    H    ARG  40           H        ARG  40  -2.931   5.603   4.334
  332    HA   ARG  40           HA       ARG  40  -2.429   8.164   3.252
  333   1HB   ARG  40          1HB       ARG  40  -0.857   5.577   2.983
  334   2HB   ARG  40          2HB       ARG  40  -0.188   7.200   2.826
  335   1HG   ARG  40          1HG       ARG  40  -1.576   7.221   5.268
  336   2HG   ARG  40          2HG       ARG  40  -0.730   5.674   5.234
  337   1HD   ARG  40          1HD       ARG  40   1.380   6.911   4.625
  338   2HD   ARG  40          2HD       ARG  40   0.499   8.430   4.889
  339    HE   ARG  40           HE       ARG  40   0.995   6.369   6.998
  340   1HH1  ARG  40          1HH1      ARG  40  -1.257   8.710   6.602
  341   2HH1  ARG  40          2HH1      ARG  40  -0.740   9.732   7.901
  342   1HH2  ARG  40          1HH2      ARG  40   2.240   8.031   8.405
  343   2HH2  ARG  40          2HH2      ARG  40   1.241   9.348   8.922
  344    H    VAL  41           H        VAL  41  -3.390   5.191   1.694
  345    HA   VAL  41           HA       VAL  41  -2.706   6.149  -1.019
  346    HB   VAL  41           HB       VAL  41  -3.884   3.658   0.233
  347   1HG1  VAL  41          1HG1      VAL  41  -4.977   4.093  -1.991
  348   2HG1  VAL  41          2HG1      VAL  41  -3.998   2.624  -1.956
  349   3HG1  VAL  41          3HG1      VAL  41  -3.373   4.083  -2.726
  350   1HG2  VAL  41          1HG2      VAL  41  -1.811   2.698  -0.208
  351   2HG2  VAL  41          2HG2      VAL  41  -1.347   4.365   0.132
  352   3HG2  VAL  41          3HG2      VAL  41  -1.465   3.805  -1.536
  353    H    MET  42           H        MET  42  -5.496   5.803   1.098
  354    HA   MET  42           HA       MET  42  -7.536   6.172  -0.918
  355   1HB   MET  42          1HB       MET  42  -7.274   5.673   1.876
  356   2HB   MET  42          2HB       MET  42  -8.319   7.079   1.692
  357   1HG   MET  42          1HG       MET  42  -8.786   4.750  -0.117
  358   2HG   MET  42          2HG       MET  42  -9.296   4.602   1.564
  359   1HE   MET  42          1HE       MET  42 -12.000   6.852   2.228
  360   2HE   MET  42          2HE       MET  42 -10.690   5.790   2.748
  361   3HE   MET  42          3HE       MET  42 -12.050   5.126   1.847
  362    H    GLU  43           H        GLU  43  -6.547   8.417   1.702
  363    HA   GLU  43           HA       GLU  43  -7.804  10.734   0.744
  364   1HB   GLU  43          1HB       GLU  43  -5.384  10.100   2.392
  365   2HB   GLU  43          2HB       GLU  43  -5.671  11.781   1.942
  366   1HG   GLU  43          1HG       GLU  43  -6.744  11.353   4.082
  367   2HG   GLU  43          2HG       GLU  43  -7.991  11.582   2.855
  368    H    SER  44           H        SER  44  -4.807   9.233  -0.350
  369    HA   SER  44           HA       SER  44  -3.631  11.381  -1.771
  370   1HB   SER  44          1HB       SER  44  -3.634   8.416  -1.819
  371   2HB   SER  44          2HB       SER  44  -3.076   9.192  -3.299
  372    HG   SER  44           HG       SER  44  -1.690  10.470  -1.893
  373    H    PHE  45           H        PHE  45  -6.059   8.992  -2.885
  374    HA   PHE  45           HA       PHE  45  -6.332  10.063  -5.537
  375   1HB   PHE  45          1HB       PHE  45  -8.036   8.377  -3.690
  376   2HB   PHE  45          2HB       PHE  45  -8.535   8.746  -5.339
  377    HD1  PHE  45           HD1      PHE  45  -7.433   6.090  -3.687
  378    HD2  PHE  45           HD2      PHE  45  -5.980   8.678  -6.825
  379    HE1  PHE  45           HE1      PHE  45  -6.007   4.242  -4.552
  380    HE2  PHE  45           HE2      PHE  45  -4.551   6.827  -7.685
  381    HZ   PHE  45           HZ       PHE  45  -4.572   4.607  -6.555
  382    H    LYS  46           H        LYS  46  -7.785  10.892  -2.437
  383    HA   LYS  46           HA       LYS  46  -9.992  12.445  -3.443
  384   1HB   LYS  46          1HB       LYS  46  -9.358  11.452  -1.082
  385   2HB   LYS  46          2HB       LYS  46  -8.565  13.013  -0.861
  386   1HG   LYS  46          1HG       LYS  46 -10.700  13.487  -0.066
  387   2HG   LYS  46          2HG       LYS  46 -10.850  13.965  -1.757
  388   1HD   LYS  46          1HD       LYS  46 -12.720  12.614  -1.541
  389   2HD   LYS  46          2HD       LYS  46 -11.540  11.420  -2.068
  390   1HE   LYS  46          1HE       LYS  46 -11.290  10.519   0.093
  391   2HE   LYS  46          2HE       LYS  46 -11.930  11.981   0.874
  392   1HZ   LYS  46          1HZ       LYS  46 -13.450  10.098  -0.849
  393   2HZ   LYS  46          2HZ       LYS  46 -14.060  11.561  -0.240
  394   3HZ   LYS  46          3HZ       LYS  46 -13.640  10.305   0.824
  395    H    LYS  47           H        LYS  47  -6.580  13.146  -2.970
  396    HA   LYS  47           HA       LYS  47  -6.711  16.004  -2.903
  397   1HB   LYS  47          1HB       LYS  47  -4.740  14.692  -2.289
  398   2HB   LYS  47          2HB       LYS  47  -4.613  14.066  -3.932
  399   1HG   LYS  47          1HG       LYS  47  -3.824  16.066  -4.785
  400   2HG   LYS  47          2HG       LYS  47  -4.644  17.034  -3.559
  401   1HD   LYS  47          1HD       LYS  47  -2.949  16.790  -2.031
  402   2HD   LYS  47          2HD       LYS  47  -2.529  15.173  -2.596
  403   1HE   LYS  47          1HE       LYS  47  -1.629  16.292  -4.720
  404   2HE   LYS  47          2HE       LYS  47  -1.770  17.829  -3.841
  405   1HZ   LYS  47          1HZ       LYS  47   0.401  16.901  -3.445
  406   2HZ   LYS  47          2HZ       LYS  47  -0.269  15.415  -2.964
  407   3HZ   LYS  47          3HZ       LYS  47  -0.502  16.803  -2.013
  408    H    GLU  48           H        GLU  48  -6.976  13.699  -5.536
  409    HA   GLU  48           HA       GLU  48  -6.949  15.965  -7.500
  410   1HB   GLU  48          1HB       GLU  48  -6.122  13.090  -7.515
  411   2HB   GLU  48          2HB       GLU  48  -6.690  13.790  -9.032
  412   1HG   GLU  48          1HG       GLU  48  -5.022  15.763  -8.150
  413   2HG   GLU  48          2HG       GLU  48  -4.210  14.330  -7.517
  414    H    GLY  49           H        GLY  49  -9.207  14.639  -5.738
  415   1HA   GLY  49          1HA       GLY  49 -11.470  14.129  -6.022
  416   2HA   GLY  49          2HA       GLY  49 -11.360  15.097  -7.493
  417    H    ARG  50           H        ARG  50  -9.301  12.318  -7.205
  418    HA   ARG  50           HA       ARG  50 -10.100  11.109  -9.621
  419   1HB   ARG  50          1HB       ARG  50  -8.559  10.445  -7.204
  420   2HB   ARG  50          2HB       ARG  50  -9.213   9.032  -8.031
  421   1HG   ARG  50          1HG       ARG  50  -7.719  11.227  -9.483
  422   2HG   ARG  50          2HG       ARG  50  -6.916   9.801  -8.824
  423   1HD   ARG  50          1HD       ARG  50  -8.403   8.344 -10.190
  424   2HD   ARG  50          2HD       ARG  50  -9.148   9.796 -10.890
  425    HE   ARG  50           HE       ARG  50  -6.189   9.443 -11.065
  426   1HH1  ARG  50          1HH1      ARG  50  -8.946   8.581 -12.748
  427   2HH1  ARG  50          2HH1      ARG  50  -8.517   9.375 -14.225
  428   1HH2  ARG  50          1HH2      ARG  50  -5.764  10.987 -12.866
  429   2HH2  ARG  50          2HH2      ARG  50  -6.713  10.735 -14.294
  430    H    ILE  51           H        ILE  51 -11.050  10.161  -6.297
  431    HA   ILE  51           HA       ILE  51 -13.320   8.596  -7.438
  432    HB   ILE  51           HB       ILE  51 -13.350   7.613  -5.148
  433   1HG1  ILE  51          1HG1      ILE  51 -10.870   9.250  -4.603
  434   2HG1  ILE  51          2HG1      ILE  51 -12.470   9.810  -4.120
  435   1HG2  ILE  51          1HG2      ILE  51 -11.050   7.589  -6.978
  436   2HG2  ILE  51          2HG2      ILE  51 -11.940   6.241  -6.276
  437   3HG2  ILE  51          3HG2      ILE  51 -10.670   7.038  -5.346
  438   1HD1  ILE  51          1HD1      ILE  51 -11.740   7.011  -3.404
  439   2HD1  ILE  51          2HD1      ILE  51 -12.710   8.184  -2.511
  440   3HD1  ILE  51          3HD1      ILE  51 -10.950   8.304  -2.506
  441    H    GLY  52           H        GLY  52 -15.230   8.667  -5.593
  442   1HA   GLY  52          1HA       GLY  52 -15.750  11.562  -5.045
  443   2HA   GLY  52          2HA       GLY  52 -17.010  10.503  -5.693
  444    H    ALA  53           H        ALA  53 -17.210   8.376  -4.265
  445    HA   ALA  53           HA       ALA  53 -17.420   9.304  -1.423
  446   1HB   ALA  53          1HB       ALA  53 -19.290   8.310  -3.228
  447   2HB   ALA  53          2HB       ALA  53 -19.500   8.379  -1.478
  448   3HB   ALA  53          3HB       ALA  53 -18.900   6.904  -2.237
  449   1H    MET   1          1H        MET   1  -5.800 -23.029  -7.056
  450   2H    MET   1          2H        MET   1  -7.389 -23.176  -7.639
  451   3H    MET   1          3H        MET   1  -6.694 -21.640  -7.439
  452    HA   MET   1           HA       MET   1  -4.955 -22.378  -9.131
  453   1HB   MET   1          1HB       MET   1  -6.096 -24.770  -8.635
  454   2HB   MET   1          2HB       MET   1  -7.055 -24.292 -10.035
  455   1HG   MET   1          1HG       MET   1  -4.178 -23.778 -10.358
  456   2HG   MET   1          2HG       MET   1  -4.570 -25.487 -10.155
  457   1HE   MET   1          1HE       MET   1  -6.575 -26.636 -11.449
  458   2HE   MET   1          2HE       MET   1  -4.936 -26.903 -12.038
  459   3HE   MET   1          3HE       MET   1  -6.246 -26.634 -13.186
  460    H    LYS   2           H        LYS   2  -5.267 -21.316 -11.134
  461    HA   LYS   2           HA       LYS   2  -7.980 -20.711 -12.102
  462   1HB   LYS   2          1HB       LYS   2  -7.623 -18.249 -11.807
  463   2HB   LYS   2          2HB       LYS   2  -7.693 -19.112 -10.269
  464   1HG   LYS   2          1HG       LYS   2  -5.169 -19.236 -10.326
  465   2HG   LYS   2          2HG       LYS   2  -5.213 -18.153 -11.718
  466   1HD   LYS   2          1HD       LYS   2  -5.913 -16.343 -10.466
  467   2HD   LYS   2          2HD       LYS   2  -6.744 -17.352  -9.281
  468   1HE   LYS   2          1HE       LYS   2  -4.791 -16.471  -8.171
  469   2HE   LYS   2          2HE       LYS   2  -4.413 -18.162  -8.558
  470   1HZ   LYS   2          1HZ       LYS   2  -3.321 -17.474 -10.559
  471   2HZ   LYS   2          2HZ       LYS   2  -2.659 -16.586  -9.271
  472   3HZ   LYS   2          3HZ       LYS   2  -3.776 -15.859 -10.323
  473    H    GLY   3           H        GLY   3  -7.560 -18.789 -13.897
  474   1HA   GLY   3          1HA       GLY   3  -5.046 -19.473 -15.353
  475   2HA   GLY   3          2HA       GLY   3  -6.597 -19.532 -16.191
  476    H    MET   4           H        MET   4  -5.325 -17.162 -13.842
  477    HA   MET   4           HA       MET   4  -4.949 -15.102 -15.868
  478   1HB   MET   4          1HB       MET   4  -7.560 -15.650 -14.986
  479   2HB   MET   4          2HB       MET   4  -7.082 -14.194 -14.111
  480   1HG   MET   4          1HG       MET   4  -6.186 -13.957 -16.827
  481   2HG   MET   4          2HG       MET   4  -7.889 -14.414 -16.838
  482   1HE   MET   4          1HE       MET   4  -8.725 -12.264 -17.894
  483   2HE   MET   4          2HE       MET   4  -7.035 -11.806 -18.095
  484   3HE   MET   4          3HE       MET   4  -8.184 -10.643 -17.439
  485    H    SER   5           H        SER   5  -5.137 -12.827 -14.405
  486    HA   SER   5           HA       SER   5  -3.282 -13.339 -12.111
  487   1HB   SER   5          1HB       SER   5  -3.813 -10.918 -13.863
  488   2HB   SER   5          2HB       SER   5  -2.642 -10.958 -12.549
  489    HG   SER   5           HG       SER   5  -1.711 -11.424 -14.605
  490    H    LYS   6           H        LYS   6  -3.991 -12.836 -10.069
  491    HA   LYS   6           HA       LYS   6  -6.528 -11.254  -9.821
  492   1HB   LYS   6          1HB       LYS   6  -5.431 -13.727  -8.587
  493   2HB   LYS   6          2HB       LYS   6  -6.320 -12.654  -7.505
  494   1HG   LYS   6          1HG       LYS   6  -7.412 -13.527 -10.189
  495   2HG   LYS   6          2HG       LYS   6  -7.723 -14.417  -8.699
  496   1HD   LYS   6          1HD       LYS   6  -9.288 -12.930  -8.053
  497   2HD   LYS   6          2HD       LYS   6  -8.192 -11.576  -8.329
  498   1HE   LYS   6          1HE       LYS   6  -9.680 -11.057 -10.002
  499   2HE   LYS   6          2HE       LYS   6  -8.797 -12.301 -10.907
  500   1HZ   LYS   6          1HZ       LYS   6 -10.300 -13.971 -10.049
  501   2HZ   LYS   6          2HZ       LYS   6 -11.190 -12.760 -10.841
  502   3HZ   LYS   6          3HZ       LYS   6 -11.130 -12.805  -9.144
  503    H    MET   7           H        MET   7  -6.635  -9.782  -7.988
  504    HA   MET   7           HA       MET   7  -4.379  -8.163  -7.529
  505   1HB   MET   7          1HB       MET   7  -5.760  -7.200  -5.763
  506   2HB   MET   7          2HB       MET   7  -6.805  -7.663  -7.105
  507   1HG   MET   7          1HG       MET   7  -6.909  -9.956  -5.735
  508   2HG   MET   7          2HG       MET   7  -6.553  -8.874  -4.388
  509   1HE   MET   7          1HE       MET   7  -7.820  -7.636  -3.263
  510   2HE   MET   7          2HE       MET   7  -9.035  -8.894  -3.043
  511   3HE   MET   7          3HE       MET   7  -9.538  -7.251  -3.435
  512    HA   PRO   8           HA       PRO   8  -1.939 -10.275  -4.542
  513   1HB   PRO   8          1HB       PRO   8  -1.168  -8.263  -2.852
  514   2HB   PRO   8          2HB       PRO   8  -0.519  -8.452  -4.493
  515   1HG   PRO   8          1HG       PRO   8  -2.634  -6.608  -3.495
  516   2HG   PRO   8          2HG       PRO   8  -1.344  -6.314  -4.672
  517   1HD   PRO   8          1HD       PRO   8  -3.921  -6.790  -5.381
  518   2HD   PRO   8          2HD       PRO   8  -2.534  -7.224  -6.404
  519    H    GLN   9           H        GLN   9  -1.935 -11.031  -2.293
  520    HA   GLN   9           HA       GLN   9  -4.573 -11.178  -1.108
  521   1HB   GLN   9          1HB       GLN   9  -1.803 -11.941  -0.126
  522   2HB   GLN   9          2HB       GLN   9  -3.311 -12.460   0.627
  523   1HG   GLN   9          1HG       GLN   9  -3.726 -13.106  -2.021
  524   2HG   GLN   9          2HG       GLN   9  -2.008 -13.447  -1.811
  525   1HE2  GLN   9          1HE2      GLN   9  -5.105 -13.995  -0.027
  526   2HE2  GLN   9          2HE2      GLN   9  -4.690 -15.554   0.501
  527    H    PHE  10           H        PHE  10  -1.863  -9.025  -0.700
  528    HA   PHE  10           HA       PHE  10  -2.436  -8.139   1.989
  529   1HB   PHE  10          1HB       PHE  10  -0.264  -7.857   0.930
  530   2HB   PHE  10          2HB       PHE  10  -0.980  -6.915  -0.377
  531    HD1  PHE  10           HD1      PHE  10  -1.300  -4.574  -0.171
  532    HD2  PHE  10           HD2      PHE  10  -0.402  -6.940   3.325
  533    HE1  PHE  10           HE1      PHE  10  -1.020  -2.490   1.164
  534    HE2  PHE  10           HE2      PHE  10  -0.123  -4.853   4.662
  535    HZ   PHE  10           HZ       PHE  10  -0.431  -2.628   3.582
  536    H    LEU  11           H        LEU  11  -3.818  -7.398  -1.132
  537    HA   LEU  11           HA       LEU  11  -5.140  -4.952  -0.057
  538   1HB   LEU  11          1HB       LEU  11  -4.830  -6.198  -2.801
  539   2HB   LEU  11          2HB       LEU  11  -5.791  -4.747  -2.505
  540    HG   LEU  11           HG       LEU  11  -2.887  -4.998  -1.690
  541   1HD1  LEU  11          1HD1      LEU  11  -3.658  -5.049  -4.274
  542   2HD1  LEU  11          2HD1      LEU  11  -2.202  -4.209  -3.731
  543   3HD1  LEU  11          3HD1      LEU  11  -3.693  -3.305  -4.000
  544   1HD2  LEU  11          1HD2      LEU  11  -4.998  -2.894  -1.600
  545   2HD2  LEU  11          2HD2      LEU  11  -3.365  -2.366  -2.008
  546   3HD2  LEU  11          3HD2      LEU  11  -3.668  -3.198  -0.483
  547    H    ASN  12           H        ASN  12  -5.880  -7.795   0.701
  548    HA   ASN  12           HA       ASN  12  -8.459  -8.307  -0.586
  549   1HB   ASN  12          1HB       ASN  12  -6.565  -9.728   0.865
  550   2HB   ASN  12          2HB       ASN  12  -7.907  -9.579   1.999
  551   1HD2  ASN  12          1HD2      ASN  12  -7.558 -10.209  -1.549
  552   2HD2  ASN  12          2HD2      ASN  12  -8.677 -11.484  -1.575
  553    H    ARG  13           H        ARG  13  -7.311  -6.468   2.141
  554    HA   ARG  13           HA       ARG  13  -9.935  -6.347   3.469
  555   1HB   ARG  13          1HB       ARG  13  -7.529  -6.299   4.469
  556   2HB   ARG  13          2HB       ARG  13  -7.535  -4.600   3.996
  557   1HG   ARG  13          1HG       ARG  13  -9.581  -4.228   5.313
  558   2HG   ARG  13          2HG       ARG  13  -9.595  -5.929   5.779
  559   1HD   ARG  13          1HD       ARG  13  -7.030  -4.546   6.293
  560   2HD   ARG  13          2HD       ARG  13  -8.399  -3.976   7.271
  561    HE   ARG  13           HE       ARG  13  -8.587  -6.775   7.270
  562   1HH1  ARG  13          1HH1      ARG  13  -5.511  -6.098   7.261
  563   2HH1  ARG  13          2HH1      ARG  13  -5.182  -6.268   8.954
  564   1HH2  ARG  13          1HH2      ARG  13  -8.525  -6.242   9.876
  565   2HH2  ARG  13          2HH2      ARG  13  -6.888  -6.346  10.434
  566    H    TRP  14           H        TRP  14  -8.134  -4.543   1.111
  567    HA   TRP  14           HA       TRP  14  -9.382  -1.975   1.388
  568   1HB   TRP  14          1HB       TRP  14  -8.022  -3.496  -0.840
  569   2HB   TRP  14          2HB       TRP  14  -8.566  -1.836  -1.028
  570    HD1  TRP  14           HD1      TRP  14  -7.076  -3.111   2.275
  571    HE1  TRP  14           HE1      TRP  14  -4.854  -1.874   2.696
  572    HE3  TRP  14           HE3      TRP  14  -6.667  -0.599  -2.125
  573    HZ2  TRP  14           HZ2      TRP  14  -3.108  -0.031   1.322
  574    HZ3  TRP  14           HZ3      TRP  14  -4.714   0.896  -2.572
  575    HH2  TRP  14           HH2      TRP  14  -2.940   1.182  -0.849
  576    HA   PRO  15           HA       PRO  15 -13.360  -2.990  -0.245
  577   1HB   PRO  15          1HB       PRO  15 -14.170  -0.511  -1.058
  578   2HB   PRO  15          2HB       PRO  15 -14.140  -1.026   0.637
  579   1HG   PRO  15          1HG       PRO  15 -12.210   0.666  -0.859
  580   2HG   PRO  15          2HG       PRO  15 -12.770   0.804   0.814
  581   1HD   PRO  15          1HD       PRO  15 -10.350  -0.252   0.105
  582   2HD   PRO  15          2HD       PRO  15 -11.220  -0.690   1.592
  583    H    ARG  16           H        ARG  16 -14.530  -3.050  -2.252
  584    HA   ARG  16           HA       ARG  16 -13.000  -3.629  -4.558
  585   1HB   ARG  16          1HB       ARG  16 -15.640  -3.754  -3.614
  586   2HB   ARG  16          2HB       ARG  16 -15.730  -2.747  -5.055
  587   1HG   ARG  16          1HG       ARG  16 -14.460  -4.456  -6.301
  588   2HG   ARG  16          2HG       ARG  16 -14.450  -5.464  -4.855
  589   1HD   ARG  16          1HD       ARG  16 -16.690  -6.014  -5.051
  590   2HD   ARG  16          2HD       ARG  16 -17.110  -4.468  -5.816
  591    HE   ARG  16           HE       ARG  16 -15.480  -6.504  -7.281
  592   1HH1  ARG  16          1HH1      ARG  16 -18.320  -7.061  -7.634
  593   2HH1  ARG  16          2HH1      ARG  16 -18.760  -6.066  -8.981
  594   1HH2  ARG  16          1HH2      ARG  16 -15.960  -4.036  -8.747
  595   2HH2  ARG  16          2HH2      ARG  16 -17.430  -4.355  -9.610
  596    H    GLU  17           H        GLU  17 -14.760  -0.711  -3.635
  597    HA   GLU  17           HA       GLU  17 -14.530   0.744  -6.059
  598   1HB   GLU  17          1HB       GLU  17 -14.640   1.609  -3.156
  599   2HB   GLU  17          2HB       GLU  17 -14.900   2.700  -4.517
  600   1HG   GLU  17          1HG       GLU  17 -16.670   0.934  -5.272
  601   2HG   GLU  17          2HG       GLU  17 -16.610   0.404  -3.592
  602    H    VAL  18           H        VAL  18 -12.350   0.799  -3.206
  603    HA   VAL  18           HA       VAL  18 -10.520   2.713  -4.321
  604    HB   VAL  18           HB       VAL  18 -10.250   0.558  -2.199
  605   1HG1  VAL  18          1HG1      VAL  18  -8.480   2.974  -2.633
  606   2HG1  VAL  18          2HG1      VAL  18  -8.053   1.346  -3.156
  607   3HG1  VAL  18          3HG1      VAL  18  -8.266   1.692  -1.440
  608   1HG2  VAL  18          1HG2      VAL  18 -11.960   2.469  -1.962
  609   2HG2  VAL  18          2HG2      VAL  18 -10.570   3.549  -1.861
  610   3HG2  VAL  18          3HG2      VAL  18 -10.790   2.289  -0.650
  611    H    LEU  19           H        LEU  19 -10.320  -0.871  -4.140
  612    HA   LEU  19           HA       LEU  19  -7.831  -1.109  -5.509
  613   1HB   LEU  19          1HB       LEU  19 -10.210  -2.959  -5.239
  614   2HB   LEU  19          2HB       LEU  19  -8.632  -3.469  -5.811
  615    HG   LEU  19           HG       LEU  19  -9.044  -2.102  -3.145
  616   1HD1  LEU  19          1HD1      LEU  19  -9.718  -4.045  -2.219
  617   2HD1  LEU  19          2HD1      LEU  19  -8.435  -4.942  -3.025
  618   3HD1  LEU  19          3HD1      LEU  19  -9.964  -4.655  -3.855
  619   1HD2  LEU  19          1HD2      LEU  19  -6.760  -2.162  -4.294
  620   2HD2  LEU  19          2HD2      LEU  19  -6.809  -3.913  -4.092
  621   3HD2  LEU  19          3HD2      LEU  19  -6.819  -2.863  -2.676
  622    H    ASP  20           H        ASP  20 -11.080  -0.602  -6.678
  623    HA   ASP  20           HA       ASP  20 -10.640  -1.499  -9.400
  624   1HB   ASP  20          1HB       ASP  20 -12.820  -1.182  -8.122
  625   2HB   ASP  20          2HB       ASP  20 -12.620   0.551  -8.374
  626    H    LEU  21           H        LEU  21  -9.948   1.424  -7.635
  627    HA   LEU  21           HA       LEU  21  -9.528   3.041 -10.073
  628   1HB   LEU  21          1HB       LEU  21 -10.560   3.904  -7.967
  629   2HB   LEU  21          2HB       LEU  21  -9.042   3.597  -7.129
  630    HG   LEU  21           HG       LEU  21  -8.295   5.046  -9.400
  631   1HD1  LEU  21          1HD1      LEU  21 -10.150   6.163 -10.036
  632   2HD1  LEU  21          2HD1      LEU  21  -9.960   7.088  -8.546
  633   3HD1  LEU  21          3HD1      LEU  21 -11.030   5.691  -8.583
  634   1HD2  LEU  21          1HD2      LEU  21  -8.859   6.357  -6.749
  635   2HD2  LEU  21          2HD2      LEU  21  -7.486   6.583  -7.832
  636   3HD2  LEU  21          3HD2      LEU  21  -7.618   5.108  -6.872
  637    H    VAL  22           H        VAL  22  -7.605   1.677  -7.395
  638    HA   VAL  22           HA       VAL  22  -5.051   2.649  -8.010
  639    HB   VAL  22           HB       VAL  22  -5.829  -0.148  -7.112
  640   1HG1  VAL  22          1HG1      VAL  22  -3.386   0.433  -7.725
  641   2HG1  VAL  22          2HG1      VAL  22  -3.679  -0.286  -6.142
  642   3HG1  VAL  22          3HG1      VAL  22  -3.407   1.451  -6.287
  643   1HG2  VAL  22          1HG2      VAL  22  -5.163   1.480  -4.906
  644   2HG2  VAL  22          2HG2      VAL  22  -6.763   0.861  -5.320
  645   3HG2  VAL  22          3HG2      VAL  22  -6.255   2.449  -5.895
  646    H    ARG  23           H        ARG  23  -6.755  -0.133  -9.445
  647    HA   ARG  23           HA       ARG  23  -4.579  -1.086 -11.049
  648   1HB   ARG  23          1HB       ARG  23  -6.383  -2.312 -12.194
  649   2HB   ARG  23          2HB       ARG  23  -6.649  -2.326 -10.449
  650   1HG   ARG  23          1HG       ARG  23  -8.082  -0.205 -10.859
  651   2HG   ARG  23          2HG       ARG  23  -8.074  -0.700 -12.552
  652   1HD   ARG  23          1HD       ARG  23  -8.991  -2.449 -10.238
  653   2HD   ARG  23          2HD       ARG  23 -10.060  -1.607 -11.377
  654    HE   ARG  23           HE       ARG  23  -8.406  -3.956 -11.994
  655   1HH1  ARG  23          1HH1      ARG  23 -11.260  -2.897 -12.872
  656   2HH1  ARG  23          2HH1      ARG  23 -11.000  -2.784 -14.580
  657   1HH2  ARG  23          1HH2      ARG  23  -7.553  -3.083 -14.320
  658   2HH2  ARG  23          2HH2      ARG  23  -8.893  -2.889 -15.401
  659    H    LYS  24           H        LYS  24  -7.119   1.336 -11.664
  660    HA   LYS  24           HA       LYS  24  -6.432   1.684 -14.474
  661   1HB   LYS  24          1HB       LYS  24  -8.434   2.458 -12.605
  662   2HB   LYS  24          2HB       LYS  24  -7.772   3.939 -13.291
  663   1HG   LYS  24          1HG       LYS  24  -8.138   1.938 -15.357
  664   2HG   LYS  24          2HG       LYS  24  -9.647   2.218 -14.489
  665   1HD   LYS  24          1HD       LYS  24  -9.926   4.149 -15.606
  666   2HD   LYS  24          2HD       LYS  24  -8.422   4.758 -14.917
  667   1HE   LYS  24          1HE       LYS  24  -7.449   4.636 -16.956
  668   2HE   LYS  24          2HE       LYS  24  -7.769   2.892 -17.004
  669   1HZ   LYS  24          1HZ       LYS  24 -10.140   3.543 -17.545
  670   2HZ   LYS  24          2HZ       LYS  24  -8.997   3.781 -18.779
  671   3HZ   LYS  24          3HZ       LYS  24  -9.547   5.100 -17.860
  672    H    VAL  25           H        VAL  25  -5.183   2.918 -11.476
  673    HA   VAL  25           HA       VAL  25  -3.964   5.311 -12.692
  674    HB   VAL  25           HB       VAL  25  -3.845   3.974  -9.969
  675   1HG1  VAL  25          1HG1      VAL  25  -1.789   5.330 -10.532
  676   2HG1  VAL  25          2HG1      VAL  25  -2.707   5.936  -9.153
  677   3HG1  VAL  25          3HG1      VAL  25  -2.843   6.732 -10.721
  678   1HG2  VAL  25          1HG2      VAL  25  -6.019   4.884 -10.379
  679   2HG2  VAL  25          2HG2      VAL  25  -5.345   6.340 -11.112
  680   3HG2  VAL  25          3HG2      VAL  25  -5.180   6.068  -9.376
  681    H    ALA  26           H        ALA  26  -2.968   2.079 -11.624
  682    HA   ALA  26           HA       ALA  26  -0.132   2.489 -11.895
  683   1HB   ALA  26          1HB       ALA  26  -1.797  -0.034 -12.180
  684   2HB   ALA  26          2HB       ALA  26  -1.315   0.667 -10.634
  685   3HB   ALA  26          3HB       ALA  26  -0.092   0.050 -11.743
  686    H    GLU  27           H        GLU  27  -2.665   1.331 -14.108
  687    HA   GLU  27           HA       GLU  27  -0.885   0.646 -16.274
  688   1HB   GLU  27          1HB       GLU  27  -3.828   1.340 -16.064
  689   2HB   GLU  27          2HB       GLU  27  -3.080   0.754 -17.549
  690   1HG   GLU  27          1HG       GLU  27  -2.633  -0.794 -15.025
  691   2HG   GLU  27          2HG       GLU  27  -4.192  -0.942 -15.835
  692    H    GLU  28           H        GLU  28  -2.152   3.669 -15.090
  693    HA   GLU  28           HA       GLU  28  -1.818   5.111 -17.627
  694   1HB   GLU  28          1HB       GLU  28  -2.501   5.759 -14.764
  695   2HB   GLU  28          2HB       GLU  28  -2.178   7.055 -15.915
  696   1HG   GLU  28          1HG       GLU  28  -4.023   4.930 -16.855
  697   2HG   GLU  28          2HG       GLU  28  -4.636   5.968 -15.567
  698    H    ASN  29           H        ASN  29  -0.209   5.329 -14.420
  699    HA   ASN  29           HA       ASN  29   1.894   7.061 -15.132
  700   1HB   ASN  29          1HB       ASN  29   1.383   4.924 -13.113
  701   2HB   ASN  29          2HB       ASN  29   3.046   5.489 -13.274
  702   1HD2  ASN  29          1HD2      ASN  29  -0.267   6.559 -12.507
  703   2HD2  ASN  29          2HD2      ASN  29   0.198   8.007 -11.751
  704    H    GLY  30           H        GLY  30   1.757   3.499 -15.402
  705   1HA   GLY  30          1HA       GLY  30   2.853   2.536 -17.448
  706   2HA   GLY  30          2HA       GLY  30   4.180   3.662 -17.156
  707    H    ARG  31           H        ARG  31   2.412   1.594 -14.853
  708    HA   ARG  31           HA       ARG  31   4.727  -0.193 -14.521
  709   1HB   ARG  31          1HB       ARG  31   5.110   0.515 -12.189
  710   2HB   ARG  31          2HB       ARG  31   5.325   1.878 -13.286
  711   1HG   ARG  31          1HG       ARG  31   2.641   2.037 -12.741
  712   2HG   ARG  31          2HG       ARG  31   3.280   1.446 -11.206
  713   1HD   ARG  31          1HD       ARG  31   4.850   3.632 -12.452
  714   2HD   ARG  31          2HD       ARG  31   3.237   4.086 -11.868
  715    HE   ARG  31           HE       ARG  31   4.100   2.644  -9.764
  716   1HH1  ARG  31          1HH1      ARG  31   4.288   5.593  -9.541
  717   2HH1  ARG  31          2HH1      ARG  31   5.975   5.847  -9.241
  718   1HH2  ARG  31          1HH2      ARG  31   6.914   2.690 -10.321
  719   2HH2  ARG  31          2HH2      ARG  31   7.461   4.205  -9.686
  720    H    SER  32           H        SER  32   4.016  -1.082 -11.916
  721    HA   SER  32           HA       SER  32   1.415  -2.413 -12.502
  722   1HB   SER  32          1HB       SER  32   3.968  -3.068 -11.167
  723   2HB   SER  32          2HB       SER  32   2.540  -3.665 -10.330
  724    HG   SER  32           HG       SER  32   2.853  -5.214 -11.775
  725    H    VAL  33           H        VAL  33   0.232  -2.958 -10.290
  726    HA   VAL  33           HA       VAL  33  -0.466  -0.421  -9.065
  727    HB   VAL  33           HB       VAL  33  -1.224  -3.320  -8.611
  728   1HG1  VAL  33          1HG1      VAL  33  -3.267  -1.619  -7.711
  729   2HG1  VAL  33          2HG1      VAL  33  -1.780  -0.946  -7.042
  730   3HG1  VAL  33          3HG1      VAL  33  -2.214  -2.624  -6.714
  731   1HG2  VAL  33          1HG2      VAL  33  -2.874  -2.967 -10.174
  732   2HG2  VAL  33          2HG2      VAL  33  -1.714  -1.774 -10.766
  733   3HG2  VAL  33          3HG2      VAL  33  -3.060  -1.265  -9.744
  734    H    ASN  34           H        ASN  34   1.790  -2.962  -8.333
  735    HA   ASN  34           HA       ASN  34   1.952  -2.538  -5.460
  736   1HB   ASN  34          1HB       ASN  34   2.718  -4.530  -6.901
  737   2HB   ASN  34          2HB       ASN  34   4.105  -3.538  -7.345
  738   1HD2  ASN  34          1HD2      ASN  34   4.283  -6.013  -5.792
  739   2HD2  ASN  34          2HD2      ASN  34   4.890  -5.598  -4.262
  740    H    SER  35           H        SER  35   3.325  -1.030  -8.314
  741    HA   SER  35           HA       SER  35   5.312   0.517  -6.783
  742   1HB   SER  35          1HB       SER  35   4.388   0.403  -9.666
  743   2HB   SER  35          2HB       SER  35   5.627   1.525  -9.112
  744    HG   SER  35           HG       SER  35   6.406  -0.536  -9.931
  745    H    GLU  36           H        GLU  36   2.120   0.975  -8.269
  746    HA   GLU  36           HA       GLU  36   1.973   3.823  -8.056
  747   1HB   GLU  36          1HB       GLU  36   0.496   2.063  -9.267
  748   2HB   GLU  36          2HB       GLU  36  -0.322   1.886  -7.714
  749   1HG   GLU  36          1HG       GLU  36  -0.115   4.651  -8.109
  750   2HG   GLU  36          2HG       GLU  36  -0.570   4.001  -9.683
  751    H    ILE  37           H        ILE  37   0.690   1.271  -5.898
  752    HA   ILE  37           HA       ILE  37  -0.154   3.018  -3.792
  753    HB   ILE  37           HB       ILE  37   0.760   0.118  -3.818
  754   1HG1  ILE  37          1HG1      ILE  37  -1.123   0.774  -5.385
  755   2HG1  ILE  37          2HG1      ILE  37  -1.553  -0.442  -4.184
  756   1HG2  ILE  37          1HG2      ILE  37  -0.316   1.861  -1.693
  757   2HG2  ILE  37          2HG2      ILE  37   0.594   0.356  -1.563
  758   3HG2  ILE  37          3HG2      ILE  37  -1.144   0.312  -1.863
  759   1HD1  ILE  37          1HD1      ILE  37  -2.548   1.319  -2.760
  760   2HD1  ILE  37          2HD1      ILE  37  -3.311   1.277  -4.349
  761   3HD1  ILE  37          3HD1      ILE  37  -2.129   2.530  -3.973
  762    H    TYR  38           H        TYR  38   2.988   1.811  -4.733
  763    HA   TYR  38           HA       TYR  38   4.285   2.170  -2.160
  764   1HB   TYR  38          1HB       TYR  38   5.094   0.600  -3.828
  765   2HB   TYR  38          2HB       TYR  38   5.240   1.886  -5.026
  766    HD1  TYR  38           HD1      TYR  38   7.429   2.513  -5.444
  767    HD2  TYR  38           HD2      TYR  38   6.271   1.436  -1.437
  768    HE1  TYR  38           HE1      TYR  38   9.739   3.020  -4.646
  769    HE2  TYR  38           HE2      TYR  38   8.577   1.940  -0.629
  770    HH   TYR  38           HH       TYR  38  10.543   3.572  -1.582
  771    H    GLN  39           H        GLN  39   3.848   4.160  -5.076
  772    HA   GLN  39           HA       GLN  39   5.644   6.277  -4.176
  773   1HB   GLN  39          1HB       GLN  39   4.425   5.463  -6.534
  774   2HB   GLN  39          2HB       GLN  39   3.548   6.938  -6.131
  775   1HG   GLN  39          1HG       GLN  39   5.540   7.415  -7.528
  776   2HG   GLN  39          2HG       GLN  39   5.665   8.170  -5.938
  777   1HE2  GLN  39          1HE2      GLN  39   6.214   4.711  -6.724
  778   2HE2  GLN  39          2HE2      GLN  39   7.844   4.703  -6.254
  779    H    ARG  40           H        ARG  40   2.086   6.003  -4.487
  780    HA   ARG  40           HA       ARG  40   1.368   8.468  -3.305
  781   1HB   ARG  40          1HB       ARG  40   0.020   5.748  -3.137
  782   2HB   ARG  40          2HB       ARG  40  -0.781   7.305  -2.931
  783   1HG   ARG  40          1HG       ARG  40   0.604   7.521  -5.364
  784   2HG   ARG  40          2HG       ARG  40  -0.109   5.908  -5.384
  785   1HD   ARG  40          1HD       ARG  40  -2.317   6.939  -4.749
  786   2HD   ARG  40          2HD       ARG  40  -1.569   8.536  -4.947
  787    HE   ARG  40           HE       ARG  40  -1.880   6.525  -7.140
  788   1HH1  ARG  40          1HH1      ARG  40   0.155   9.034  -6.638
  789   2HH1  ARG  40          2HH1      ARG  40  -0.448  10.062  -7.894
  790   1HH2  ARG  40          1HH2      ARG  40  -3.269   8.134  -8.481
  791   2HH2  ARG  40          2HH2      ARG  40  -2.386   9.552  -8.937
  792    H    VAL  41           H        VAL  41   2.586   5.528  -1.865
  793    HA   VAL  41           HA       VAL  41   1.818   6.315   0.882
  794    HB   VAL  41           HB       VAL  41   3.212   3.987  -0.462
  795   1HG1  VAL  41          1HG1      VAL  41   4.258   4.427   1.785
  796   2HG1  VAL  41          2HG1      VAL  41   3.414   2.881   1.684
  797   3HG1  VAL  41          3HG1      VAL  41   2.659   4.245   2.509
  798   1HG2  VAL  41          1HG2      VAL  41   1.230   2.832  -0.065
  799   2HG2  VAL  41          2HG2      VAL  41   0.625   4.463  -0.354
  800   3HG2  VAL  41          3HG2      VAL  41   0.784   3.861   1.296
  801    H    MET  42           H        MET  42   4.633   6.288  -1.232
  802    HA   MET  42           HA       MET  42   6.630   6.757   0.803
  803   1HB   MET  42          1HB       MET  42   6.412   6.348  -2.011
  804   2HB   MET  42          2HB       MET  42   7.335   7.827  -1.766
  805   1HG   MET  42          1HG       MET  42   7.994   5.474  -0.050
  806   2HG   MET  42          2HG       MET  42   8.519   5.440  -1.735
  807   1HE   MET  42          1HE       MET  42  11.014   7.946  -2.293
  808   2HE   MET  42          2HE       MET  42   9.807   6.795  -2.861
  809   3HE   MET  42          3HE       MET  42  11.223   6.216  -1.988
  810    H    GLU  43           H        GLU  43   5.441   9.007  -1.732
  811    HA   GLU  43           HA       GLU  43   6.498  11.384  -0.679
  812   1HB   GLU  43          1HB       GLU  43   4.144  10.608  -2.363
  813   2HB   GLU  43          2HB       GLU  43   4.281  12.290  -1.845
  814   1HG   GLU  43          1HG       GLU  43   5.394  12.044  -3.994
  815   2HG   GLU  43          2HG       GLU  43   6.614  12.326  -2.752
  816    H    SER  44           H        SER  44   3.638   9.589   0.341
  817    HA   SER  44           HA       SER  44   2.282  11.566   1.843
  818   1HB   SER  44          1HB       SER  44   2.546   8.615   1.775
  819   2HB   SER  44          2HB       SER  44   1.926   9.280   3.284
  820    HG   SER  44           HG       SER  44   0.429  10.487   1.925
  821    H    PHE  45           H        PHE  45   4.907   9.353   2.876
  822    HA   PHE  45           HA       PHE  45   5.079  10.341   5.567
  823   1HB   PHE  45          1HB       PHE  45   6.930   8.884   3.669
  824   2HB   PHE  45          2HB       PHE  45   7.390   9.230   5.334
  825    HD1  PHE  45           HD1      PHE  45   6.527   6.558   3.566
  826    HD2  PHE  45           HD2      PHE  45   4.854   8.880   6.802
  827    HE1  PHE  45           HE1      PHE  45   5.265   4.560   4.349
  828    HE2  PHE  45           HE2      PHE  45   3.589   6.879   7.578
  829    HZ   PHE  45           HZ       PHE  45   3.801   4.716   6.357
  830    H    LYS  46           H        LYS  46   6.462  11.416   2.508
  831    HA   LYS  46           HA       LYS  46   8.524  13.113   3.587
  832   1HB   LYS  46          1HB       LYS  46   7.986  12.165   1.183
  833   2HB   LYS  46          2HB       LYS  46   7.060  13.659   1.020
  834   1HG   LYS  46          1HG       LYS  46   9.147  14.352   0.259
  835   2HG   LYS  46          2HG       LYS  46   9.260  14.768   1.970
  836   1HD   LYS  46          1HD       LYS  46  11.241  13.593   1.704
  837   2HD   LYS  46          2HD       LYS  46  10.159  12.281   2.176
  838   1HE   LYS  46          1HE       LYS  46   9.995  11.452  -0.020
  839   2HE   LYS  46          2HE       LYS  46  10.501  12.994  -0.738
  840   1HZ   LYS  46          1HZ       LYS  46  12.182  11.180   0.911
  841   2HZ   LYS  46          2HZ       LYS  46  12.666  12.713   0.363
  842   3HZ   LYS  46          3HZ       LYS  46  12.351  11.470  -0.752
  843    H    LYS  47           H        LYS  47   5.068  13.530   3.126
  844    HA   LYS  47           HA       LYS  47   4.949  16.390   3.167
  845   1HB   LYS  47          1HB       LYS  47   3.096  14.938   2.496
  846   2HB   LYS  47          2HB       LYS  47   3.025  14.242   4.115
  847   1HG   LYS  47          1HG       LYS  47   2.069  16.135   5.040
  848   2HG   LYS  47          2HG       LYS  47   2.806  17.212   3.853
  849   1HD   LYS  47          1HD       LYS  47   1.133  16.890   2.317
  850   2HD   LYS  47          2HD       LYS  47   0.859  15.220   2.811
  851   1HE   LYS  47          1HE       LYS  47  -0.134  16.163   4.977
  852   2HE   LYS  47          2HE       LYS  47  -0.130  17.742   4.167
  853   1HZ   LYS  47          1HZ       LYS  47  -2.210  16.649   3.722
  854   2HZ   LYS  47          2HZ       LYS  47  -1.415  15.247   3.185
  855   3HZ   LYS  47          3HZ       LYS  47  -1.303  16.687   2.290
  856    H    GLU  48           H        GLU  48   5.409  14.014   5.708
  857    HA   GLU  48           HA       GLU  48   5.188  16.188   7.760
  858   1HB   GLU  48          1HB       GLU  48   4.612  13.255   7.658
  859   2HB   GLU  48          2HB       GLU  48   5.117  13.941   9.203
  860   1HG   GLU  48          1HG       GLU  48   3.287  15.797   8.396
  861   2HG   GLU  48          2HG       GLU  48   2.599  14.328   7.702
  862    H    GLY  49           H        GLY  49   7.551  15.136   5.955
  863   1HA   GLY  49          1HA       GLY  49   9.856  14.807   6.225
  864   2HA   GLY  49          2HA       GLY  49   9.668  15.709   7.728
  865    H    ARG  50           H        ARG  50   7.849  12.774   7.332
  866    HA   ARG  50           HA       ARG  50   8.758  11.545   9.703
  867   1HB   ARG  50          1HB       ARG  50   7.277  10.844   7.254
  868   2HB   ARG  50          2HB       ARG  50   8.051   9.464   8.032
  869   1HG   ARG  50          1HG       ARG  50   6.373  11.463   9.560
  870   2HG   ARG  50          2HG       ARG  50   5.693  10.002   8.843
  871   1HD   ARG  50          1HD       ARG  50   7.299   8.624  10.153
  872   2HD   ARG  50          2HD       ARG  50   7.916  10.105  10.915
  873    HE   ARG  50           HE       ARG  50   4.999   9.494  11.062
  874   1HH1  ARG  50          1HH1      ARG  50   7.820   8.806  12.719
  875   2HH1  ARG  50          2HH1      ARG  50   7.319   9.495  14.227
  876   1HH2  ARG  50          1HH2      ARG  50   4.440  10.920  12.920
  877   2HH2  ARG  50          2HH2      ARG  50   5.403  10.691  14.342
  878    H    ILE  51           H        ILE  51   9.786  10.821   6.345
  879    HA   ILE  51           HA       ILE  51  12.184   9.416   7.432
  880    HB   ILE  51           HB       ILE  51  12.296   8.527   5.107
  881   1HG1  ILE  51          1HG1      ILE  51   9.679   9.959   4.614
  882   2HG1  ILE  51          2HG1      ILE  51  11.225  10.681   4.165
  883   1HG2  ILE  51          1HG2      ILE  51   9.997   8.240   6.926
  884   2HG2  ILE  51          2HG2      ILE  51  11.002   6.998   6.182
  885   3HG2  ILE  51          3HG2      ILE  51   9.673   7.719   5.273
  886   1HD1  ILE  51          1HD1      ILE  51  10.752   7.859   3.332
  887   2HD1  ILE  51          2HD1      ILE  51  11.612   9.149   2.493
  888   3HD1  ILE  51          3HD1      ILE  51   9.848   9.112   2.480
  889    H    GLY  52           H        GLY  52  14.080   9.724   5.600
  890   1HA   GLY  52          1HA       GLY  52  14.350  12.673   5.170
  891   2HA   GLY  52          2HA       GLY  52  15.689  11.701   5.778
  892    H    ALA  53           H        ALA  53  16.068   9.654   4.266
  893    HA   ALA  53           HA       ALA  53  16.209  10.714   1.466
  894   1HB   ALA  53          1HB       ALA  53  18.147   9.816   3.242
  895   2HB   ALA  53          2HB       ALA  53  18.355   9.967   1.496
  896   3HB   ALA  53          3HB       ALA  53  17.884   8.419   2.198
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  14.915 -17.477  12.955
    2   2H    MET   1          2H        MET   1  16.205 -16.848  13.865
    3   3H    MET   1          3H        MET   1  15.922 -18.522  13.832
    4    HA   MET   1           HA       MET   1  17.819 -17.818  12.404
    5   1HB   MET   1          1HB       MET   1  15.998 -19.765  12.178
    6   2HB   MET   1          2HB       MET   1  15.622 -18.901  10.688
    7   1HG   MET   1          1HG       MET   1  18.505 -19.336  11.212
    8   2HG   MET   1          2HG       MET   1  17.568 -20.791  10.870
    9   1HE   MET   1          1HE       MET   1  19.244 -20.606   7.833
   10   2HE   MET   1          2HE       MET   1  19.715 -20.309   9.505
   11   3HE   MET   1          3HE       MET   1  19.881 -19.026   8.309
   12    H    LYS   2           H        LYS   2  14.650 -17.053  10.896
   13    HA   LYS   2           HA       LYS   2  15.832 -14.532   9.827
   14   1HB   LYS   2          1HB       LYS   2  14.986 -16.980   8.365
   15   2HB   LYS   2          2HB       LYS   2  14.493 -15.442   7.652
   16   1HG   LYS   2          1HG       LYS   2  16.925 -14.695   7.952
   17   2HG   LYS   2          2HG       LYS   2  17.296 -16.389   8.275
   18   1HD   LYS   2          1HD       LYS   2  16.605 -17.065   6.104
   19   2HD   LYS   2          2HD       LYS   2  15.790 -15.530   5.800
   20   1HE   LYS   2          1HE       LYS   2  18.617 -15.148   6.447
   21   2HE   LYS   2          2HE       LYS   2  18.384 -16.156   5.006
   22   1HZ   LYS   2          1HZ       LYS   2  16.669 -14.482   4.307
   23   2HZ   LYS   2          2HZ       LYS   2  18.275 -13.923   4.273
   24   3HZ   LYS   2          3HZ       LYS   2  17.241 -13.471   5.544
   25    H    GLY   3           H        GLY   3  13.709 -13.745   8.238
   26   1HA   GLY   3          1HA       GLY   3  11.551 -13.436  10.265
   27   2HA   GLY   3          2HA       GLY   3  11.823 -12.357   8.896
   28    H    MET   4           H        MET   4  10.345 -15.341   9.929
   29    HA   MET   4           HA       MET   4   9.228 -15.730   7.173
   30   1HB   MET   4          1HB       MET   4  10.633 -17.506   8.447
   31   2HB   MET   4          2HB       MET   4   9.195 -17.717   9.446
   32   1HG   MET   4          1HG       MET   4   7.966 -18.639   7.730
   33   2HG   MET   4          2HG       MET   4   8.817 -17.723   6.488
   34   1HE   MET   4          1HE       MET   4   7.992 -20.043   5.830
   35   2HE   MET   4          2HE       MET   4   8.836 -21.564   6.108
   36   3HE   MET   4          3HE       MET   4   9.426 -20.452   4.877
   37    H    SER   5           H        SER   5   8.249 -13.812   9.261
   38    HA   SER   5           HA       SER   5   5.438 -14.808   9.375
   39   1HB   SER   5          1HB       SER   5   7.075 -13.690  11.674
   40   2HB   SER   5          2HB       SER   5   5.353 -14.047  11.752
   41    HG   SER   5           HG       SER   5   7.432 -15.699  12.053
   42    H    LYS   6           H        LYS   6   3.905 -12.969   9.783
   43    HA   LYS   6           HA       LYS   6   3.128 -10.805   9.220
   44   1HB   LYS   6          1HB       LYS   6   5.587 -10.648  10.796
   45   2HB   LYS   6          2HB       LYS   6   5.339  -9.210   9.808
   46   1HG   LYS   6          1HG       LYS   6   4.067  -8.596  11.625
   47   2HG   LYS   6          2HG       LYS   6   2.837  -9.493  10.733
   48   1HD   LYS   6          1HD       LYS   6   3.962 -11.540  12.074
   49   2HD   LYS   6          2HD       LYS   6   4.300 -10.239  13.216
   50   1HE   LYS   6          1HE       LYS   6   2.152 -11.080  13.853
   51   2HE   LYS   6          2HE       LYS   6   1.802  -9.600  12.937
   52   1HZ   LYS   6          1HZ       LYS   6   2.028 -12.255  11.642
   53   2HZ   LYS   6          2HZ       LYS   6   1.379 -10.825  10.994
   54   3HZ   LYS   6          3HZ       LYS   6   0.548 -11.658  12.221
   55    H    MET   7           H        MET   7   4.513  -8.597   8.153
   56    HA   MET   7           HA       MET   7   5.262  -7.754   6.082
   57   1HB   MET   7          1HB       MET   7   6.917 -10.077   6.833
   58   2HB   MET   7          2HB       MET   7   6.983  -9.667   5.119
   59   1HG   MET   7          1HG       MET   7   7.211  -7.196   6.080
   60   2HG   MET   7          2HG       MET   7   7.836  -8.056   7.489
   61   1HE   MET   7          1HE       MET   7   9.863  -6.864   3.789
   62   2HE   MET   7          2HE       MET   7   8.321  -6.409   4.510
   63   3HE   MET   7          3HE       MET   7   8.402  -7.786   3.414
   64    HA   PRO   8           HA       PRO   8   2.251 -10.123   3.646
   65   1HB   PRO   8          1HB       PRO   8   1.519  -8.025   2.049
   66   2HB   PRO   8          2HB       PRO   8   0.854  -8.282   3.676
   67   1HG   PRO   8          1HG       PRO   8   3.001  -6.421   2.780
   68   2HG   PRO   8          2HG       PRO   8   1.702  -6.163   3.956
   69   1HD   PRO   8          1HD       PRO   8   4.266  -6.706   4.673
   70   2HD   PRO   8          2HD       PRO   8   2.861  -7.168   5.659
   71    H    GLN   9           H        GLN   9   2.078 -10.410   1.189
   72    HA   GLN   9           HA       GLN   9   4.791 -10.607   0.047
   73   1HB   GLN   9          1HB       GLN   9   2.015 -11.581  -0.592
   74   2HB   GLN   9          2HB       GLN   9   3.282 -11.690  -1.813
   75   1HG   GLN   9          1HG       GLN   9   3.550 -12.788   0.999
   76   2HG   GLN   9          2HG       GLN   9   3.067 -13.755  -0.395
   77   1HE2  GLN   9          1HE2      GLN   9   5.789 -12.446   1.295
   78   2HE2  GLN   9          2HE2      GLN   9   6.977 -12.896   0.169
   79    H    PHE  10           H        PHE  10   2.069  -8.475  -0.154
   80    HA   PHE  10           HA       PHE  10   2.484  -7.505  -2.851
   81   1HB   PHE  10          1HB       PHE  10   0.372  -7.326  -1.608
   82   2HB   PHE  10          2HB       PHE  10   1.159  -6.318  -0.395
   83    HD1  PHE  10           HD1      PHE  10   1.043  -3.992  -0.615
   84    HD2  PHE  10           HD2      PHE  10   0.645  -6.477  -4.121
   85    HE1  PHE  10           HE1      PHE  10   0.590  -1.968  -1.998
   86    HE2  PHE  10           HE2      PHE  10   0.193  -4.454  -5.505
   87    HZ   PHE  10           HZ       PHE  10   0.165  -2.200  -4.444
   88    H    LEU  11           H        LEU  11   3.892  -6.752   0.279
   89    HA   LEU  11           HA       LEU  11   5.148  -4.272  -0.765
   90   1HB   LEU  11          1HB       LEU  11   5.275  -5.649   1.939
   91   2HB   LEU  11          2HB       LEU  11   5.820  -4.009   1.585
   92    HG   LEU  11           HG       LEU  11   2.970  -5.024   1.333
   93   1HD1  LEU  11          1HD1      LEU  11   2.536  -4.075   3.369
   94   2HD1  LEU  11          2HD1      LEU  11   3.715  -2.785   3.134
   95   3HD1  LEU  11          3HD1      LEU  11   4.253  -4.392   3.633
   96   1HD2  LEU  11          1HD2      LEU  11   3.017  -3.353  -0.265
   97   2HD2  LEU  11          2HD2      LEU  11   4.365  -2.514   0.503
   98   3HD2  LEU  11          3HD2      LEU  11   2.740  -2.365   1.169
   99    H    ASN  12           H        ASN  12   5.876  -7.059  -1.717
  100    HA   ASN  12           HA       ASN  12   8.491  -7.704  -0.634
  101   1HB   ASN  12          1HB       ASN  12   6.579  -8.932  -2.160
  102   2HB   ASN  12          2HB       ASN  12   7.782  -8.530  -3.386
  103   1HD2  ASN  12          1HD2      ASN  12   7.269 -10.364  -0.375
  104   2HD2  ASN  12          2HD2      ASN  12   8.658 -11.328  -0.530
  105    H    ARG  13           H        ARG  13   7.349  -5.395  -2.962
  106    HA   ARG  13           HA       ARG  13  10.058  -5.102  -4.168
  107   1HB   ARG  13          1HB       ARG  13   7.251  -4.596  -4.906
  108   2HB   ARG  13          2HB       ARG  13   8.357  -3.311  -5.393
  109   1HG   ARG  13          1HG       ARG  13   8.637  -4.684  -7.213
  110   2HG   ARG  13          2HG       ARG  13   9.828  -5.433  -6.147
  111   1HD   ARG  13          1HD       ARG  13   7.561  -6.734  -5.349
  112   2HD   ARG  13          2HD       ARG  13   7.221  -6.483  -7.072
  113    HE   ARG  13           HE       ARG  13   9.301  -8.207  -6.000
  114   1HH1  ARG  13          1HH1      ARG  13   7.658  -7.607  -8.757
  115   2HH1  ARG  13          2HH1      ARG  13   9.007  -7.695  -9.842
  116   1HH2  ARG  13          1HH2      ARG  13  11.380  -7.670  -7.316
  117   2HH2  ARG  13          2HH2      ARG  13  11.113  -7.726  -9.026
  118    H    TRP  14           H        TRP  14   8.316  -3.830  -1.578
  119    HA   TRP  14           HA       TRP  14   9.113  -1.032  -1.844
  120   1HB   TRP  14          1HB       TRP  14   7.857  -2.790   0.261
  121   2HB   TRP  14          2HB       TRP  14   8.207  -1.092   0.547
  122    HD1  TRP  14           HD1      TRP  14   6.973  -2.404  -2.855
  123    HE1  TRP  14           HE1      TRP  14   4.660  -1.370  -3.327
  124    HE3  TRP  14           HE3      TRP  14   6.178  -0.069   1.586
  125    HZ2  TRP  14           HZ2      TRP  14   2.702   0.255  -1.979
  126    HZ3  TRP  14           HZ3      TRP  14   4.078   1.222   2.001
  127    HH2  TRP  14           HH2      TRP  14   2.343   1.385   0.219
  128    HA   PRO  15           HA       PRO  15  13.148  -1.762  -0.143
  129   1HB   PRO  15          1HB       PRO  15  13.779   0.809   0.536
  130   2HB   PRO  15          2HB       PRO  15  13.835   0.194  -1.124
  131   1HG   PRO  15          1HG       PRO  15  11.756   1.844   0.216
  132   2HG   PRO  15          2HG       PRO  15  12.359   1.925  -1.446
  133   1HD   PRO  15          1HD       PRO  15   9.988   0.759  -0.753
  134   2HD   PRO  15          2HD       PRO  15  10.940   0.284  -2.177
  135    H    ARG  16           H        ARG  16  14.251  -1.632   1.908
  136    HA   ARG  16           HA       ARG  16  12.643  -2.096   4.200
  137   1HB   ARG  16          1HB       ARG  16  15.305  -2.272   3.360
  138   2HB   ARG  16          2HB       ARG  16  15.349  -1.138   4.706
  139   1HG   ARG  16          1HG       ARG  16  13.762  -2.886   5.833
  140   2HG   ARG  16          2HG       ARG  16  14.473  -3.984   4.652
  141   1HD   ARG  16          1HD       ARG  16  16.635  -2.516   5.750
  142   2HD   ARG  16          2HD       ARG  16  15.631  -3.030   7.119
  143    HE   ARG  16           HE       ARG  16  15.735  -5.355   6.143
  144   1HH1  ARG  16          1HH1      ARG  16  18.464  -4.482   7.132
  145   2HH1  ARG  16          2HH1      ARG  16  19.474  -4.939   5.801
  146   1HH2  ARG  16          1HH2      ARG  16  16.837  -5.293   3.578
  147   2HH2  ARG  16          2HH2      ARG  16  18.553  -5.398   3.788
  148    H    GLU  17           H        GLU  17  14.426   0.746   3.116
  149    HA   GLU  17           HA       GLU  17  14.184   2.439   5.338
  150   1HB   GLU  17          1HB       GLU  17  14.114   2.930   2.353
  151   2HB   GLU  17          2HB       GLU  17  14.220   4.245   3.525
  152   1HG   GLU  17          1HG       GLU  17  16.168   2.505   4.415
  153   2HG   GLU  17          2HG       GLU  17  16.284   2.340   2.662
  154    H    VAL  18           H        VAL  18  11.647   1.369   3.180
  155    HA   VAL  18           HA       VAL  18   9.814   3.495   4.202
  156    HB   VAL  18           HB       VAL  18   9.597   1.471   1.947
  157   1HG1  VAL  18          1HG1      VAL  18   7.386   2.058   2.798
  158   2HG1  VAL  18          2HG1      VAL  18   7.648   2.875   1.258
  159   3HG1  VAL  18          3HG1      VAL  18   7.797   3.772   2.768
  160   1HG2  VAL  18          1HG2      VAL  18  11.263   3.515   1.904
  161   2HG2  VAL  18          2HG2      VAL  18   9.797   4.457   1.638
  162   3HG2  VAL  18          3HG2      VAL  18  10.250   3.189   0.499
  163    H    LEU  19           H        LEU  19   9.972  -0.063   3.820
  164    HA   LEU  19           HA       LEU  19   7.490  -0.656   5.081
  165   1HB   LEU  19          1HB       LEU  19  10.072  -2.081   4.531
  166   2HB   LEU  19          2HB       LEU  19   8.819  -2.888   5.475
  167    HG   LEU  19           HG       LEU  19   8.231  -1.587   2.812
  168   1HD1  LEU  19          1HD1      LEU  19   9.030  -4.459   3.377
  169   2HD1  LEU  19          2HD1      LEU  19   9.957  -3.287   2.440
  170   3HD1  LEU  19          3HD1      LEU  19   8.404  -3.867   1.838
  171   1HD2  LEU  19          1HD2      LEU  19   6.718  -2.939   4.873
  172   2HD2  LEU  19          2HD2      LEU  19   6.618  -3.846   3.363
  173   3HD2  LEU  19          3HD2      LEU  19   6.130  -2.151   3.408
  174    H    ASP  20           H        ASP  20  10.593   0.178   6.413
  175    HA   ASP  20           HA       ASP  20  10.131  -0.879   9.081
  176   1HB   ASP  20          1HB       ASP  20  12.201   0.319   7.563
  177   2HB   ASP  20          2HB       ASP  20  11.945   1.374   8.953
  178    H    LEU  21           H        LEU  21   9.312   2.050   7.373
  179    HA   LEU  21           HA       LEU  21   8.617   3.572   9.792
  180   1HB   LEU  21          1HB       LEU  21   9.559   4.694   7.862
  181   2HB   LEU  21          2HB       LEU  21   8.352   3.975   6.797
  182    HG   LEU  21           HG       LEU  21   6.577   5.200   8.088
  183   1HD1  LEU  21          1HD1      LEU  21   7.382   7.122   9.485
  184   2HD1  LEU  21          2HD1      LEU  21   9.016   6.469   9.365
  185   3HD1  LEU  21          3HD1      LEU  21   7.755   5.546  10.183
  186   1HD2  LEU  21          1HD2      LEU  21   7.302   6.151   6.007
  187   2HD2  LEU  21          2HD2      LEU  21   8.796   6.744   6.730
  188   3HD2  LEU  21          3HD2      LEU  21   7.254   7.477   7.170
  189    H    VAL  22           H        VAL  22   6.913   1.968   7.095
  190    HA   VAL  22           HA       VAL  22   4.255   2.671   7.709
  191    HB   VAL  22           HB       VAL  22   5.303   0.004   6.701
  192   1HG1  VAL  22          1HG1      VAL  22   3.189  -0.323   5.763
  193   2HG1  VAL  22          2HG1      VAL  22   2.801   1.398   5.793
  194   3HG1  VAL  22          3HG1      VAL  22   2.785   0.463   7.290
  195   1HG2  VAL  22          1HG2      VAL  22   4.585   1.580   4.515
  196   2HG2  VAL  22          2HG2      VAL  22   6.235   1.215   5.026
  197   3HG2  VAL  22          3HG2      VAL  22   5.449   2.699   5.571
  198    H    ARG  23           H        ARG  23   6.286   0.082   9.062
  199    HA   ARG  23           HA       ARG  23   4.229  -1.199  10.612
  200   1HB   ARG  23          1HB       ARG  23   7.234  -1.012  11.009
  201   2HB   ARG  23          2HB       ARG  23   6.179  -2.236  11.717
  202   1HG   ARG  23          1HG       ARG  23   5.812  -2.017   8.831
  203   2HG   ARG  23          2HG       ARG  23   7.476  -2.422   9.258
  204   1HD   ARG  23          1HD       ARG  23   5.303  -3.886  10.703
  205   2HD   ARG  23          2HD       ARG  23   5.620  -4.333   9.014
  206    HE   ARG  23           HE       ARG  23   8.097  -4.045  10.465
  207   1HH1  ARG  23          1HH1      ARG  23   6.137  -5.831  12.096
  208   2HH1  ARG  23          2HH1      ARG  23   6.647  -7.397  11.566
  209   1HH2  ARG  23          1HH2      ARG  23   8.447  -6.189   8.861
  210   2HH2  ARG  23          2HH2      ARG  23   7.953  -7.602   9.733
  211    H    LYS  24           H        LYS  24   6.762   1.160  11.556
  212    HA   LYS  24           HA       LYS  24   5.911   1.443  14.276
  213   1HB   LYS  24          1HB       LYS  24   7.602   2.904  12.294
  214   2HB   LYS  24          2HB       LYS  24   7.140   3.774  13.756
  215   1HG   LYS  24          1HG       LYS  24   8.092   0.991  14.149
  216   2HG   LYS  24          2HG       LYS  24   9.308   2.157  13.628
  217   1HD   LYS  24          1HD       LYS  24   7.784   3.463  15.616
  218   2HD   LYS  24          2HD       LYS  24   8.105   1.844  16.235
  219   1HE   LYS  24          1HE       LYS  24  10.112   2.759  16.873
  220   2HE   LYS  24          2HE       LYS  24  10.553   2.511  15.172
  221   1HZ   LYS  24          1HZ       LYS  24   9.087   4.915  16.091
  222   2HZ   LYS  24          2HZ       LYS  24   9.898   4.680  14.617
  223   3HZ   LYS  24          3HZ       LYS  24  10.781   4.861  16.058
  224    H    VAL  25           H        VAL  25   4.598   2.694  11.311
  225    HA   VAL  25           HA       VAL  25   3.163   4.918  12.610
  226    HB   VAL  25           HB       VAL  25   3.132   3.709   9.823
  227   1HG1  VAL  25          1HG1      VAL  25   2.251   6.503  10.297
  228   2HG1  VAL  25          2HG1      VAL  25   1.143   5.247  10.848
  229   3HG1  VAL  25          3HG1      VAL  25   1.637   5.308   9.156
  230   1HG2  VAL  25          1HG2      VAL  25   5.112   5.158  11.111
  231   2HG2  VAL  25          2HG2      VAL  25   4.227   6.400  10.225
  232   3HG2  VAL  25          3HG2      VAL  25   4.917   5.026   9.362
  233    H    ALA  26           H        ALA  26   2.508   1.635  11.468
  234    HA   ALA  26           HA       ALA  26  -0.377   1.793  11.709
  235   1HB   ALA  26          1HB       ALA  26   0.613   0.130  10.304
  236   2HB   ALA  26          2HB       ALA  26  -0.040  -0.757  11.681
  237   3HB   ALA  26          3HB       ALA  26   1.688  -0.417  11.588
  238    H    GLU  27           H        GLU  27   2.273   0.741  13.826
  239    HA   GLU  27           HA       GLU  27   0.583  -0.196  15.980
  240   1HB   GLU  27          1HB       GLU  27   3.196  -0.410  15.268
  241   2HB   GLU  27          2HB       GLU  27   3.320   0.841  16.506
  242   1HG   GLU  27          1HG       GLU  27   1.589  -1.462  17.196
  243   2HG   GLU  27          2HG       GLU  27   3.313  -1.817  17.066
  244    H    GLU  28           H        GLU  28   1.627   2.946  14.909
  245    HA   GLU  28           HA       GLU  28   1.350   4.292  17.484
  246   1HB   GLU  28          1HB       GLU  28   1.937   4.902  14.645
  247   2HB   GLU  28          2HB       GLU  28   1.185   6.216  15.549
  248   1HG   GLU  28          1HG       GLU  28   3.595   4.685  16.555
  249   2HG   GLU  28          2HG       GLU  28   3.720   6.182  15.630
  250    H    ASN  29           H        ASN  29  -0.570   4.429  14.450
  251    HA   ASN  29           HA       ASN  29  -2.758   5.904  15.462
  252   1HB   ASN  29          1HB       ASN  29  -2.054   4.246  13.171
  253   2HB   ASN  29          2HB       ASN  29  -3.765   4.092  13.575
  254   1HD2  ASN  29          1HD2      ASN  29  -2.425   5.572  11.274
  255   2HD2  ASN  29          2HD2      ASN  29  -3.009   7.162  11.387
  256    H    GLY  30           H        GLY  30  -2.495   2.335  15.135
  257   1HA   GLY  30          1HA       GLY  30  -3.222   1.178  17.345
  258   2HA   GLY  30          2HA       GLY  30  -4.710   2.099  17.123
  259    H    ARG  31           H        ARG  31  -2.642   0.207  14.889
  260    HA   ARG  31           HA       ARG  31  -4.669  -1.845  14.503
  261   1HB   ARG  31          1HB       ARG  31  -5.349  -1.146  12.253
  262   2HB   ARG  31          2HB       ARG  31  -5.676   0.156  13.396
  263   1HG   ARG  31          1HG       ARG  31  -3.063   0.653  12.592
  264   2HG   ARG  31          2HG       ARG  31  -3.851   0.109  11.110
  265   1HD   ARG  31          1HD       ARG  31  -4.843   2.334  12.928
  266   2HD   ARG  31          2HD       ARG  31  -4.121   2.541  11.321
  267    HE   ARG  31           HE       ARG  31  -6.273   0.667  11.133
  268   1HH1  ARG  31          1HH1      ARG  31  -5.612   3.328   9.603
  269   2HH1  ARG  31          2HH1      ARG  31  -7.105   4.173   9.841
  270   1HH2  ARG  31          1HH2      ARG  31  -8.216   2.048  12.344
  271   2HH2  ARG  31          2HH2      ARG  31  -8.580   3.449  11.392
  272    H    SER  32           H        SER  32  -3.979  -2.523  11.834
  273    HA   SER  32           HA       SER  32  -1.179  -3.440  12.239
  274   1HB   SER  32          1HB       SER  32  -1.798  -5.168  10.683
  275   2HB   SER  32          2HB       SER  32  -3.172  -4.964  11.765
  276    HG   SER  32           HG       SER  32  -3.910  -4.968   9.653
  277    H    VAL  33           H        VAL  33  -0.145  -3.749   9.828
  278    HA   VAL  33           HA       VAL  33   0.225  -1.031   8.832
  279    HB   VAL  33           HB       VAL  33   1.313  -3.766   8.118
  280   1HG1  VAL  33          1HG1      VAL  33   3.113  -1.779   7.322
  281   2HG1  VAL  33          2HG1      VAL  33   1.540  -1.204   6.770
  282   3HG1  VAL  33          3HG1      VAL  33   2.129  -2.787   6.263
  283   1HG2  VAL  33          1HG2      VAL  33   2.609  -1.451   9.579
  284   2HG2  VAL  33          2HG2      VAL  33   3.202  -3.108   9.454
  285   3HG2  VAL  33          3HG2      VAL  33   1.760  -2.756  10.409
  286    H    ASN  34           H        ASN  34  -1.935  -3.572   8.094
  287    HA   ASN  34           HA       ASN  34  -2.149  -3.124   5.216
  288   1HB   ASN  34          1HB       ASN  34  -3.586  -4.603   7.397
  289   2HB   ASN  34          2HB       ASN  34  -4.432  -4.348   5.871
  290   1HD2  ASN  34          1HD2      ASN  34  -3.759  -5.579   4.048
  291   2HD2  ASN  34          2HD2      ASN  34  -2.510  -6.725   4.107
  292    H    SER  35           H        SER  35  -3.610  -1.798   8.135
  293    HA   SER  35           HA       SER  35  -5.635  -0.289   6.594
  294   1HB   SER  35          1HB       SER  35  -4.982  -0.916   9.439
  295   2HB   SER  35          2HB       SER  35  -5.876   0.570   9.132
  296    HG   SER  35           HG       SER  35  -6.963  -1.681   9.364
  297    H    GLU  36           H        GLU  36  -2.520   0.211   8.182
  298    HA   GLU  36           HA       GLU  36  -2.574   3.066   8.342
  299   1HB   GLU  36          1HB       GLU  36  -1.028   1.423   9.459
  300   2HB   GLU  36          2HB       GLU  36  -0.256   1.161   7.895
  301   1HG   GLU  36          1HG       GLU  36   0.992   2.806   9.191
  302   2HG   GLU  36          2HG       GLU  36   0.277   3.562   7.770
  303    H    ILE  37           H        ILE  37  -1.167   0.868   5.884
  304    HA   ILE  37           HA       ILE  37  -0.402   2.960   4.060
  305    HB   ILE  37           HB       ILE  37  -0.910  -0.016   3.845
  306   1HG1  ILE  37          1HG1      ILE  37   1.431   1.811   4.315
  307   2HG1  ILE  37          2HG1      ILE  37   1.006   0.316   5.141
  308   1HG2  ILE  37          1HG2      ILE  37   0.341   1.798   1.751
  309   2HG2  ILE  37          2HG2      ILE  37  -1.275   1.098   1.632
  310   3HG2  ILE  37          3HG2      ILE  37   0.144   0.048   1.638
  311   1HD1  ILE  37          1HD1      ILE  37   2.171   0.588   2.359
  312   2HD1  ILE  37          2HD1      ILE  37   1.599  -0.935   3.043
  313   3HD1  ILE  37          3HD1      ILE  37   2.967  -0.097   3.777
  314    H    TYR  38           H        TYR  38  -3.444   1.405   4.756
  315    HA   TYR  38           HA       TYR  38  -4.748   1.854   2.229
  316   1HB   TYR  38          1HB       TYR  38  -5.487   0.259   3.956
  317   2HB   TYR  38          2HB       TYR  38  -5.788   1.596   5.070
  318    HD1  TYR  38           HD1      TYR  38  -8.020   2.208   5.282
  319    HD2  TYR  38           HD2      TYR  38  -6.564   0.800   1.479
  320    HE1  TYR  38           HE1      TYR  38 -10.290   2.518   4.301
  321    HE2  TYR  38           HE2      TYR  38  -8.836   1.104   0.492
  322    HH   TYR  38           HH       TYR  38 -11.290   2.868   2.044
  323    H    GLN  39           H        GLN  39  -4.470   3.764   5.227
  324    HA   GLN  39           HA       GLN  39  -6.277   5.867   4.381
  325   1HB   GLN  39          1HB       GLN  39  -4.079   5.637   6.459
  326   2HB   GLN  39          2HB       GLN  39  -5.135   7.043   6.325
  327   1HG   GLN  39          1HG       GLN  39  -6.424   4.352   6.436
  328   2HG   GLN  39          2HG       GLN  39  -5.742   4.997   7.930
  329   1HE2  GLN  39          1HE2      GLN  39  -8.646   4.661   7.174
  330   2HE2  GLN  39          2HE2      GLN  39  -9.325   6.210   7.320
  331    H    ARG  40           H        ARG  40  -2.718   5.520   4.372
  332    HA   ARG  40           HA       ARG  40  -2.119   8.120   3.330
  333   1HB   ARG  40          1HB       ARG  40  -0.642   5.496   2.928
  334   2HB   ARG  40          2HB       ARG  40   0.061   7.111   2.889
  335   1HG   ARG  40          1HG       ARG  40  -1.193   7.096   5.341
  336   2HG   ARG  40          2HG       ARG  40  -0.635   5.427   5.201
  337   1HD   ARG  40          1HD       ARG  40   1.655   6.300   4.624
  338   2HD   ARG  40          2HD       ARG  40   1.062   7.935   4.978
  339    HE   ARG  40           HE       ARG  40   1.467   5.785   6.960
  340   1HH1  ARG  40          1HH1      ARG  40  -1.215   6.980   7.476
  341   2HH1  ARG  40          2HH1      ARG  40  -0.836   8.308   8.521
  342   1HH2  ARG  40          1HH2      ARG  40   2.541   8.308   7.734
  343   2HH2  ARG  40          2HH2      ARG  40   1.291   9.059   8.668
  344    H    VAL  41           H        VAL  41  -3.050   5.083   1.821
  345    HA   VAL  41           HA       VAL  41  -2.527   5.994  -0.920
  346    HB   VAL  41           HB       VAL  41  -3.878   3.614   0.381
  347   1HG1  VAL  41          1HG1      VAL  41  -3.553   2.551  -1.899
  348   2HG1  VAL  41          2HG1      VAL  41  -3.254   4.170  -2.532
  349   3HG1  VAL  41          3HG1      VAL  41  -4.822   3.773  -1.826
  350   1HG2  VAL  41          1HG2      VAL  41  -1.820   2.589   0.295
  351   2HG2  VAL  41          2HG2      VAL  41  -1.272   4.260   0.414
  352   3HG2  VAL  41          3HG2      VAL  41  -1.332   3.463  -1.157
  353    H    MET  42           H        MET  42  -5.182   6.023   1.343
  354    HA   MET  42           HA       MET  42  -7.306   6.337  -0.630
  355   1HB   MET  42          1HB       MET  42  -6.932   5.983   2.206
  356   2HB   MET  42          2HB       MET  42  -8.046   7.317   1.929
  357   1HG   MET  42          1HG       MET  42  -8.419   4.842   0.303
  358   2HG   MET  42          2HG       MET  42  -8.895   4.786   1.999
  359   1HE   MET  42          1HE       MET  42 -10.040   6.238   3.145
  360   2HE   MET  42          2HE       MET  42 -11.720   6.322   2.636
  361   3HE   MET  42          3HE       MET  42 -10.730   7.776   2.607
  362    H    GLU  43           H        GLU  43  -5.319   8.523   1.347
  363    HA   GLU  43           HA       GLU  43  -6.834  10.917   0.743
  364   1HB   GLU  43          1HB       GLU  43  -4.005  10.395   1.706
  365   2HB   GLU  43          2HB       GLU  43  -4.766  11.987   1.694
  366   1HG   GLU  43          1HG       GLU  43  -6.675  10.824   3.034
  367   2HG   GLU  43          2HG       GLU  43  -5.470   9.577   3.353
  368    H    SER  44           H        SER  44  -4.099   9.260  -0.768
  369    HA   SER  44           HA       SER  44  -3.138  11.295  -2.481
  370   1HB   SER  44          1HB       SER  44  -2.751   8.581  -2.014
  371   2HB   SER  44          2HB       SER  44  -3.318   8.625  -3.680
  372    HG   SER  44           HG       SER  44  -1.049   9.807  -2.513
  373    H    PHE  45           H        PHE  45  -5.594   8.792  -3.243
  374    HA   PHE  45           HA       PHE  45  -6.330   9.828  -5.794
  375   1HB   PHE  45          1HB       PHE  45  -7.758   8.178  -3.690
  376   2HB   PHE  45          2HB       PHE  45  -8.393   8.425  -5.318
  377    HD1  PHE  45           HD1      PHE  45  -6.913   5.994  -3.511
  378    HD2  PHE  45           HD2      PHE  45  -6.105   8.300  -7.069
  379    HE1  PHE  45           HE1      PHE  45  -5.458   4.162  -4.370
  380    HE2  PHE  45           HE2      PHE  45  -4.651   6.469  -7.928
  381    HZ   PHE  45           HZ       PHE  45  -4.330   4.398  -6.579
  382    H    LYS  46           H        LYS  46  -7.098  10.924  -2.580
  383    HA   LYS  46           HA       LYS  46  -9.545  12.353  -3.346
  384   1HB   LYS  46          1HB       LYS  46  -9.071  11.388  -1.086
  385   2HB   LYS  46          2HB       LYS  46  -7.764  12.557  -0.894
  386   1HG   LYS  46          1HG       LYS  46  -9.267  14.400  -0.904
  387   2HG   LYS  46          2HG       LYS  46 -10.590  13.414  -1.522
  388   1HD   LYS  46          1HD       LYS  46  -9.380  12.535   1.048
  389   2HD   LYS  46          2HD       LYS  46 -10.330  14.019   1.095
  390   1HE   LYS  46          1HE       LYS  46 -12.130  12.686  -0.197
  391   2HE   LYS  46          2HE       LYS  46 -11.220  11.243   0.298
  392   1HZ   LYS  46          1HZ       LYS  46 -13.010  12.118   1.893
  393   2HZ   LYS  46          2HZ       LYS  46 -11.910  13.367   2.238
  394   3HZ   LYS  46          3HZ       LYS  46 -11.480  11.750   2.540
  395    H    LYS  47           H        LYS  47  -6.106  13.032  -3.152
  396    HA   LYS  47           HA       LYS  47  -6.247  15.906  -3.091
  397   1HB   LYS  47          1HB       LYS  47  -4.277  13.753  -3.687
  398   2HB   LYS  47          2HB       LYS  47  -3.893  15.361  -4.303
  399   1HG   LYS  47          1HG       LYS  47  -4.628  14.753  -1.425
  400   2HG   LYS  47          2HG       LYS  47  -2.980  14.970  -2.013
  401   1HD   LYS  47          1HD       LYS  47  -4.030  17.223  -2.996
  402   2HD   LYS  47          2HD       LYS  47  -5.144  16.994  -1.648
  403   1HE   LYS  47          1HE       LYS  47  -2.752  16.496  -0.416
  404   2HE   LYS  47          2HE       LYS  47  -2.278  17.726  -1.604
  405   1HZ   LYS  47          1HZ       LYS  47  -3.092  19.005   0.124
  406   2HZ   LYS  47          2HZ       LYS  47  -4.314  17.894   0.524
  407   3HZ   LYS  47          3HZ       LYS  47  -4.462  18.861  -0.866
  408    H    GLU  48           H        GLU  48  -6.205  13.532  -5.740
  409    HA   GLU  48           HA       GLU  48  -6.115  15.607  -7.817
  410   1HB   GLU  48          1HB       GLU  48  -5.291  13.062  -7.680
  411   2HB   GLU  48          2HB       GLU  48  -6.904  12.769  -8.331
  412   1HG   GLU  48          1HG       GLU  48  -4.946  14.743  -9.534
  413   2HG   GLU  48          2HG       GLU  48  -5.129  13.081 -10.095
  414    H    GLY  49           H        GLY  49  -8.556  13.692  -6.157
  415   1HA   GLY  49          1HA       GLY  49 -10.880  14.306  -6.058
  416   2HA   GLY  49          2HA       GLY  49 -10.660  15.282  -7.512
  417    H    ARG  50           H        ARG  50  -9.419  12.018  -7.312
  418    HA   ARG  50           HA       ARG  50 -10.890  11.219  -9.691
  419   1HB   ARG  50          1HB       ARG  50  -8.624  10.437  -8.175
  420   2HB   ARG  50          2HB       ARG  50  -9.706   9.044  -8.211
  421   1HG   ARG  50          1HG       ARG  50  -9.494   8.765 -10.475
  422   2HG   ARG  50          2HG       ARG  50  -9.361  10.497 -10.778
  423   1HD   ARG  50          1HD       ARG  50  -7.053  10.536 -10.205
  424   2HD   ARG  50          2HD       ARG  50  -7.143   8.948  -9.416
  425    HE   ARG  50           HE       ARG  50  -7.880   8.212 -11.866
  426   1HH1  ARG  50          1HH1      ARG  50  -6.639  11.143 -12.323
  427   2HH1  ARG  50          2HH1      ARG  50  -5.170  10.671 -13.110
  428   1HH2  ARG  50          1HH2      ARG  50  -5.492   7.318 -12.280
  429   2HH2  ARG  50          2HH2      ARG  50  -4.522   8.505 -13.085
  430    H    ILE  51           H        ILE  51 -11.060  10.360  -6.224
  431    HA   ILE  51           HA       ILE  51 -13.560   8.815  -6.773
  432    HB   ILE  51           HB       ILE  51 -13.120   7.959  -4.458
  433   1HG1  ILE  51          1HG1      ILE  51 -10.500   9.449  -4.619
  434   2HG1  ILE  51          2HG1      ILE  51 -11.910  10.130  -3.798
  435   1HG2  ILE  51          1HG2      ILE  51 -12.210   6.701  -6.299
  436   2HG2  ILE  51          2HG2      ILE  51 -10.970   6.784  -5.048
  437   3HG2  ILE  51          3HG2      ILE  51 -10.860   7.827  -6.466
  438   1HD1  ILE  51          1HD1      ILE  51 -11.800   7.539  -2.814
  439   2HD1  ILE  51          2HD1      ILE  51 -11.210   8.976  -1.980
  440   3HD1  ILE  51          3HD1      ILE  51 -10.100   7.992  -2.932
  441    H    GLY  52           H        GLY  52 -15.090   9.010  -4.689
  442   1HA   GLY  52          1HA       GLY  52 -15.800  10.714  -2.953
  443   2HA   GLY  52          2HA       GLY  52 -15.470  11.936  -4.183
  444    H    ALA  53           H        ALA  53 -17.030   8.797  -4.710
  445    HA   ALA  53           HA       ALA  53 -19.510  10.278  -5.525
  446   1HB   ALA  53          1HB       ALA  53 -17.840   8.981  -7.164
  447   2HB   ALA  53          2HB       ALA  53 -19.580   8.938  -7.418
  448   3HB   ALA  53          3HB       ALA  53 -18.780   7.590  -6.618
  449   1H    MET   1          1H        MET   1 -13.660 -18.149 -14.065
  450   2H    MET   1          2H        MET   1 -15.000 -17.601 -14.956
  451   3H    MET   1          3H        MET   1 -14.570 -19.246 -14.985
  452    HA   MET   1           HA       MET   1 -16.530 -18.762 -13.540
  453   1HB   MET   1          1HB       MET   1 -14.540 -20.554 -13.375
  454   2HB   MET   1          2HB       MET   1 -14.250 -19.714 -11.851
  455   1HG   MET   1          1HG       MET   1 -17.080 -20.376 -12.410
  456   2HG   MET   1          2HG       MET   1 -16.020 -21.756 -12.112
  457   1HE   MET   1          1HE       MET   1 -17.710 -21.829  -9.082
  458   2HE   MET   1          2HE       MET   1 -18.210 -21.509 -10.742
  459   3HE   MET   1          3HE       MET   1 -18.490 -20.294  -9.496
  460    H    LYS   2           H        LYS   2 -13.440 -17.786 -11.986
  461    HA   LYS   2           HA       LYS   2 -14.830 -15.416 -10.833
  462   1HB   LYS   2          1HB       LYS   2 -13.790 -17.834  -9.458
  463   2HB   LYS   2          2HB       LYS   2 -13.430 -16.290  -8.688
  464   1HG   LYS   2          1HG       LYS   2 -15.910 -15.736  -8.970
  465   2HG   LYS   2          2HG       LYS   2 -16.140 -17.441  -9.359
  466   1HD   LYS   2          1HD       LYS   2 -15.390 -18.141  -7.212
  467   2HD   LYS   2          2HD       LYS   2 -14.720 -16.553  -6.846
  468   1HE   LYS   2          1HE       LYS   2 -17.560 -16.396  -7.494
  469   2HE   LYS   2          2HE       LYS   2 -17.250 -17.431  -6.088
  470   1HZ   LYS   2          1HZ       LYS   2 -15.690 -15.641  -5.318
  471   2HZ   LYS   2          2HZ       LYS   2 -17.330 -15.223  -5.277
  472   3HZ   LYS   2          3HZ       LYS   2 -16.340 -14.641  -6.524
  473    H    GLY   3           H        GLY   3 -12.790 -14.505  -9.208
  474   1HA   GLY   3          1HA       GLY   3 -10.660 -13.944 -11.207
  475   2HA   GLY   3          2HA       GLY   3 -11.030 -12.942  -9.802
  476    H    MET   4           H        MET   4  -9.297 -15.746 -10.932
  477    HA   MET   4           HA       MET   4  -8.164 -16.142  -8.184
  478   1HB   MET   4          1HB       MET   4  -9.407 -17.982  -9.535
  479   2HB   MET   4          2HB       MET   4  -7.949 -18.034 -10.526
  480   1HG   MET   4          1HG       MET   4  -6.657 -18.910  -8.832
  481   2HG   MET   4          2HG       MET   4  -7.593 -18.113  -7.567
  482   1HE   MET   4          1HE       MET   4  -6.574 -20.375  -6.988
  483   2HE   MET   4          2HE       MET   4  -7.275 -21.954  -7.338
  484   3HE   MET   4          3HE       MET   4  -7.969 -20.952  -6.066
  485    H    SER   5           H        SER   5  -7.347 -14.072 -10.199
  486    HA   SER   5           HA       SER   5  -4.458 -14.814 -10.328
  487   1HB   SER   5          1HB       SER   5  -6.179 -13.756 -12.595
  488   2HB   SER   5          2HB       SER   5  -4.432 -13.966 -12.675
  489    HG   SER   5           HG       SER   5  -6.360 -15.769 -13.063
  490    H    LYS   6           H        LYS   6  -3.091 -12.835 -10.655
  491    HA   LYS   6           HA       LYS   6  -2.510 -10.633 -10.008
  492   1HB   LYS   6          1HB       LYS   6  -4.968 -10.634 -11.596
  493   2HB   LYS   6          2HB       LYS   6  -4.850  -9.216 -10.554
  494   1HG   LYS   6          1HG       LYS   6  -3.626  -8.427 -12.336
  495   2HG   LYS   6          2HG       LYS   6  -2.328  -9.251 -11.472
  496   1HD   LYS   6          1HD       LYS   6  -3.266 -11.333 -12.893
  497   2HD   LYS   6          2HD       LYS   6  -3.716 -10.025 -13.989
  498   1HE   LYS   6          1HE       LYS   6  -1.500 -10.654 -14.645
  499   2HE   LYS   6          2HE       LYS   6  -1.285  -9.182 -13.677
  500   1HZ   LYS   6          1HZ       LYS   6  -1.278 -11.890 -12.475
  501   2HZ   LYS   6          2HZ       LYS   6  -0.755 -10.432 -11.777
  502   3HZ   LYS   6          3HZ       LYS   6   0.143 -11.148 -13.028
  503    H    MET   7           H        MET   7  -4.088  -8.596  -8.872
  504    HA   MET   7           HA       MET   7  -4.914  -7.902  -6.776
  505   1HB   MET   7          1HB       MET   7  -6.356 -10.333  -7.621
  506   2HB   MET   7          2HB       MET   7  -6.464  -9.987  -5.893
  507   1HG   MET   7          1HG       MET   7  -6.901  -7.515  -6.774
  508   2HG   MET   7          2HG       MET   7  -7.444  -8.376  -8.214
  509   1HE   MET   7          1HE       MET   7  -9.579  -7.495  -4.483
  510   2HE   MET   7          2HE       MET   7  -8.080  -6.883  -5.177
  511   3HE   MET   7          3HE       MET   7  -8.044  -8.302  -4.133
  512    HA   PRO   8           HA       PRO   8  -1.710 -10.083  -4.413
  513   1HB   PRO   8          1HB       PRO   8  -1.178  -7.988  -2.734
  514   2HB   PRO   8          2HB       PRO   8  -0.487  -8.121  -4.362
  515   1HG   PRO   8          1HG       PRO   8  -2.797  -6.499  -3.416
  516   2HG   PRO   8          2HG       PRO   8  -1.525  -6.082  -4.575
  517   1HD   PRO   8          1HD       PRO   8  -4.025  -6.828  -5.322
  518   2HD   PRO   8          2HD       PRO   8  -2.582  -7.123  -6.316
  519    H    GLN   9           H        GLN   9  -1.521 -10.442  -1.963
  520    HA   GLN   9           HA       GLN   9  -4.211 -10.920  -0.849
  521   1HB   GLN   9          1HB       GLN   9  -1.361 -11.674  -0.233
  522   2HB   GLN   9          2HB       GLN   9  -2.615 -11.938   0.979
  523   1HG   GLN   9          1HG       GLN   9  -2.788 -12.947  -1.873
  524   2HG   GLN   9          2HG       GLN   9  -2.224 -13.923  -0.516
  525   1HE2  GLN   9          1HE2      GLN   9  -5.047 -12.790  -2.161
  526   2HE2  GLN   9          2HE2      GLN   9  -6.192 -13.385  -1.059
  527    H    PHE  10           H        PHE  10  -1.682  -8.570  -0.549
  528    HA   PHE  10           HA       PHE  10  -2.191  -7.742   2.179
  529   1HB   PHE  10          1HB       PHE  10  -0.095  -7.336   0.962
  530   2HB   PHE  10          2HB       PHE  10  -0.958  -6.356  -0.222
  531    HD1  PHE  10           HD1      PHE  10  -1.072  -4.035   0.086
  532    HD2  PHE  10           HD2      PHE  10  -0.421  -6.603   3.494
  533    HE1  PHE  10           HE1      PHE  10  -0.798  -2.033   1.544
  534    HE2  PHE  10           HE2      PHE  10  -0.148  -4.599   4.951
  535    HZ   PHE  10           HZ       PHE  10  -0.337  -2.315   3.977
  536    H    LEU  11           H        LEU  11  -3.649  -7.001  -0.928
  537    HA   LEU  11           HA       LEU  11  -5.117  -4.676   0.195
  538   1HB   LEU  11          1HB       LEU  11  -5.114  -5.958  -2.558
  539   2HB   LEU  11          2HB       LEU  11  -5.801  -4.386  -2.149
  540    HG   LEU  11           HG       LEU  11  -2.874  -5.158  -1.916
  541   1HD1  LEU  11          1HD1      LEU  11  -2.520  -4.110  -3.916
  542   2HD1  LEU  11          2HD1      LEU  11  -3.796  -2.924  -3.636
  543   3HD1  LEU  11          3HD1      LEU  11  -4.208  -4.548  -4.196
  544   1HD2  LEU  11          1HD2      LEU  11  -3.075  -3.557  -0.256
  545   2HD2  LEU  11          2HD2      LEU  11  -4.481  -2.806  -1.008
  546   3HD2  LEU  11          3HD2      LEU  11  -2.870  -2.500  -1.652
  547    H    ASN  12           H        ASN  12  -5.606  -7.547   1.043
  548    HA   ASN  12           HA       ASN  12  -8.152  -8.376  -0.081
  549   1HB   ASN  12          1HB       ASN  12  -6.144  -9.491   1.406
  550   2HB   ASN  12          2HB       ASN  12  -7.380  -9.241   2.640
  551   1HD2  ASN  12          1HD2      ASN  12  -6.705 -10.906  -0.431
  552   2HD2  ASN  12          2HD2      ASN  12  -8.005 -11.992  -0.324
  553    H    ARG  13           H        ARG  13  -7.220  -6.066   2.338
  554    HA   ARG  13           HA       ARG  13  -9.948  -6.055   3.535
  555   1HB   ARG  13          1HB       ARG  13  -7.201  -5.333   4.310
  556   2HB   ARG  13          2HB       ARG  13  -8.418  -4.168   4.834
  557   1HG   ARG  13          1HG       ARG  13  -8.589  -5.625   6.600
  558   2HG   ARG  13          2HG       ARG  13  -9.700  -6.440   5.497
  559   1HD   ARG  13          1HD       ARG  13  -7.320  -7.504   4.676
  560   2HD   ARG  13          2HD       ARG  13  -7.012  -7.282   6.410
  561    HE   ARG  13           HE       ARG  13  -8.923  -9.149   5.264
  562   1HH1  ARG  13          1HH1      ARG  13  -7.357  -8.505   8.052
  563   2HH1  ARG  13          2HH1      ARG  13  -8.698  -8.742   9.121
  564   1HH2  ARG  13          1HH2      ARG  13 -11.050  -8.836   6.576
  565   2HH2  ARG  13          2HH2      ARG  13 -10.790  -8.933   8.285
  566    H    TRP  14           H        TRP  14  -8.317  -4.544   1.003
  567    HA   TRP  14           HA       TRP  14  -9.355  -1.837   1.366
  568   1HB   TRP  14          1HB       TRP  14  -7.947  -3.403  -0.794
  569   2HB   TRP  14          2HB       TRP  14  -8.444  -1.734  -1.021
  570    HD1  TRP  14           HD1      TRP  14  -7.107  -3.046   2.341
  571    HE1  TRP  14           HE1      TRP  14  -4.890  -1.827   2.852
  572    HE3  TRP  14           HE3      TRP  14  -6.517  -0.519  -2.023
  573    HZ2  TRP  14           HZ2      TRP  14  -3.081   0.006   1.557
  574    HZ3  TRP  14           HZ3      TRP  14  -4.539   0.963  -2.394
  575    HH2  TRP  14           HH2      TRP  14  -2.824   1.225  -0.607
  576    HA   PRO  15           HA       PRO  15 -13.310  -2.844  -0.388
  577   1HB   PRO  15          1HB       PRO  15 -14.150  -0.312  -0.976
  578   2HB   PRO  15          2HB       PRO  15 -14.160  -0.990   0.660
  579   1HG   PRO  15          1HG       PRO  15 -12.230   0.883  -0.605
  580   2HG   PRO  15          2HG       PRO  15 -12.840   0.846   1.056
  581   1HD   PRO  15          1HD       PRO  15 -10.370  -0.086   0.330
  582   2HD   PRO  15          2HD       PRO  15 -11.280  -0.692   1.733
  583    H    ARG  16           H        ARG  16 -14.410  -2.733  -2.440
  584    HA   ARG  16           HA       ARG  16 -12.750  -2.970  -4.735
  585   1HB   ARG  16          1HB       ARG  16 -15.390  -3.406  -3.922
  586   2HB   ARG  16          2HB       ARG  16 -15.530  -2.231  -5.225
  587   1HG   ARG  16          1HG       ARG  16 -13.790  -3.795  -6.405
  588   2HG   ARG  16          2HG       ARG  16 -14.410  -4.991  -5.269
  589   1HD   ARG  16          1HD       ARG  16 -16.690  -3.675  -6.327
  590   2HD   ARG  16          2HD       ARG  16 -15.640  -4.052  -7.708
  591    HE   ARG  16           HE       ARG  16 -15.540  -6.410  -6.813
  592   1HH1  ARG  16          1HH1      ARG  16 -18.340  -5.741  -7.791
  593   2HH1  ARG  16          2HH1      ARG  16 -19.310  -6.334  -6.484
  594   1HH2  ARG  16          1HH2      ARG  16 -16.660  -6.536  -4.257
  595   2HH2  ARG  16          2HH2      ARG  16 -18.360  -6.783  -4.482
  596    H    GLU  17           H        GLU  17 -14.780  -0.336  -3.561
  597    HA   GLU  17           HA       GLU  17 -14.680   1.455  -5.715
  598   1HB   GLU  17          1HB       GLU  17 -14.660   1.836  -2.714
  599   2HB   GLU  17          2HB       GLU  17 -14.880   3.181  -3.834
  600   1HG   GLU  17          1HG       GLU  17 -16.660   1.313  -4.807
  601   2HG   GLU  17          2HG       GLU  17 -16.770   1.075  -3.062
  602    H    VAL  18           H        VAL  18 -12.060   0.529  -3.579
  603    HA   VAL  18           HA       VAL  18 -10.420   2.841  -4.514
  604    HB   VAL  18           HB       VAL  18 -10.040   0.760  -2.335
  605   1HG1  VAL  18          1HG1      VAL  18  -7.884   1.562  -3.150
  606   2HG1  VAL  18          2HG1      VAL  18  -8.218   2.299  -1.583
  607   3HG1  VAL  18          3HG1      VAL  18  -8.439   3.233  -3.063
  608   1HG2  VAL  18          1HG2      VAL  18 -11.870   2.648  -2.221
  609   2HG2  VAL  18          2HG2      VAL  18 -10.490   3.703  -1.918
  610   3HG2  VAL  18          3HG2      VAL  18 -10.830   2.362  -0.825
  611    H    LEU  19           H        LEU  19 -10.270  -0.730  -4.267
  612    HA   LEU  19           HA       LEU  19  -7.745  -1.056  -5.530
  613   1HB   LEU  19          1HB       LEU  19 -10.190  -2.725  -5.051
  614   2HB   LEU  19          2HB       LEU  19  -8.871  -3.382  -6.017
  615    HG   LEU  19           HG       LEU  19  -8.407  -2.136  -3.304
  616   1HD1  LEU  19          1HD1      LEU  19  -8.959  -5.040  -3.977
  617   2HD1  LEU  19          2HD1      LEU  19  -9.985  -3.987  -3.003
  618   3HD1  LEU  19          3HD1      LEU  19  -8.390  -4.457  -2.414
  619   1HD2  LEU  19          1HD2      LEU  19  -6.777  -3.275  -5.401
  620   2HD2  LEU  19          2HD2      LEU  19  -6.607  -4.230  -3.928
  621   3HD2  LEU  19          3HD2      LEU  19  -6.264  -2.501  -3.902
  622    H    ASP  20           H        ASP  20 -10.900  -0.454  -6.853
  623    HA   ASP  20           HA       ASP  20 -10.340  -1.368  -9.553
  624   1HB   ASP  20          1HB       ASP  20 -12.510  -0.419  -8.004
  625   2HB   ASP  20          2HB       ASP  20 -12.340   0.712  -9.348
  626    H    LEU  21           H        LEU  21  -9.790   1.555  -7.732
  627    HA   LEU  21           HA       LEU  21  -9.222   3.220 -10.091
  628   1HB   LEU  21          1HB       LEU  21 -10.270   4.179  -8.130
  629   2HB   LEU  21          2HB       LEU  21  -9.010   3.539  -7.083
  630    HG   LEU  21           HG       LEU  21  -7.350   4.967  -8.306
  631   1HD1  LEU  21          1HD1      LEU  21  -8.304   6.845  -9.659
  632   2HD1  LEU  21          2HD1      LEU  21  -9.880   6.055  -9.575
  633   3HD1  LEU  21          3HD1      LEU  21  -8.540   5.266 -10.408
  634   1HD2  LEU  21          1HD2      LEU  21  -8.215   5.759  -6.206
  635   2HD2  LEU  21          2HD2      LEU  21  -9.723   6.273  -6.957
  636   3HD2  LEU  21          3HD2      LEU  21  -8.226   7.130  -7.315
  637    H    VAL  22           H        VAL  22  -7.394   1.672  -7.445
  638    HA   VAL  22           HA       VAL  22  -4.805   2.630  -8.015
  639    HB   VAL  22           HB       VAL  22  -5.621  -0.153  -7.111
  640   1HG1  VAL  22          1HG1      VAL  22  -3.491  -0.331  -6.173
  641   2HG1  VAL  22          2HG1      VAL  22  -3.251   1.416  -6.134
  642   3HG1  VAL  22          3HG1      VAL  22  -3.151   0.546  -7.666
  643   1HG2  VAL  22          1HG2      VAL  22  -5.050   1.395  -4.863
  644   2HG2  VAL  22          2HG2      VAL  22  -6.661   0.913  -5.401
  645   3HG2  VAL  22          3HG2      VAL  22  -5.999   2.477  -5.882
  646    H    ARG  23           H        ARG  23  -6.596  -0.076  -9.471
  647    HA   ARG  23           HA       ARG  23  -4.434  -1.117 -11.054
  648   1HB   ARG  23          1HB       ARG  23  -7.442  -1.174 -11.464
  649   2HB   ARG  23          2HB       ARG  23  -6.283  -2.274 -12.211
  650   1HG   ARG  23          1HG       ARG  23  -5.945  -2.133  -9.316
  651   2HG   ARG  23          2HG       ARG  23  -7.566  -2.664  -9.769
  652   1HD   ARG  23          1HD       ARG  23  -5.268  -3.879 -11.251
  653   2HD   ARG  23          2HD       ARG  23  -5.553  -4.416  -9.583
  654    HE   ARG  23           HE       ARG  23  -8.038  -4.288 -11.044
  655   1HH1  ARG  23          1HH1      ARG  23  -5.927  -5.834 -12.723
  656   2HH1  ARG  23          2HH1      ARG  23  -6.302  -7.459 -12.255
  657   1HH2  ARG  23          1HH2      ARG  23  -8.204  -6.512  -9.515
  658   2HH2  ARG  23          2HH2      ARG  23  -7.590  -7.843 -10.438
  659    H    LYS  24           H        LYS  24  -7.163   1.043 -11.936
  660    HA   LYS  24           HA       LYS  24  -6.328   1.504 -14.634
  661   1HB   LYS  24          1HB       LYS  24  -8.143   2.737 -12.609
  662   2HB   LYS  24          2HB       LYS  24  -7.753   3.699 -14.035
  663   1HG   LYS  24          1HG       LYS  24  -8.462   0.862 -14.541
  664   2HG   LYS  24          2HG       LYS  24  -9.775   1.898 -13.983
  665   1HD   LYS  24          1HD       LYS  24  -8.366   3.408 -15.909
  666   2HD   LYS  24          2HD       LYS  24  -8.542   1.793 -16.594
  667   1HE   LYS  24          1HE       LYS  24 -10.620   2.550 -17.208
  668   2HE   LYS  24          2HE       LYS  24 -11.040   2.208 -15.517
  669   1HZ   LYS  24          1HZ       LYS  24  -9.779   4.757 -16.343
  670   2HZ   LYS  24          2HZ       LYS  24 -10.570   4.404 -14.886
  671   3HZ   LYS  24          3HZ       LYS  24 -11.460   4.561 -16.326
  672    H    VAL  25           H        VAL  25  -5.139   2.755 -11.617
  673    HA   VAL  25           HA       VAL  25  -3.895   5.140 -12.826
  674    HB   VAL  25           HB       VAL  25  -3.765   3.838 -10.085
  675   1HG1  VAL  25          1HG1      VAL  25  -3.129   6.712 -10.455
  676   2HG1  VAL  25          2HG1      VAL  25  -1.917   5.576 -11.044
  677   3HG1  VAL  25          3HG1      VAL  25  -2.417   5.534  -9.353
  678   1HG2  VAL  25          1HG2      VAL  25  -5.863   5.154 -11.328
  679   2HG2  VAL  25          2HG2      VAL  25  -5.089   6.435 -10.394
  680   3HG2  VAL  25          3HG2      VAL  25  -5.659   4.975  -9.585
  681    H    ALA  26           H        ALA  26  -2.963   1.888 -11.798
  682    HA   ALA  26           HA       ALA  26  -0.103   2.301 -12.017
  683   1HB   ALA  26          1HB       ALA  26  -0.954   0.509 -10.681
  684   2HB   ALA  26          2HB       ALA  26  -0.217  -0.266 -12.082
  685   3HB   ALA  26          3HB       ALA  26  -1.969  -0.083 -11.993
  686    H    GLU  27           H        GLU  27  -2.647   1.108 -14.188
  687    HA   GLU  27           HA       GLU  27  -0.874   0.399 -16.366
  688   1HB   GLU  27          1HB       GLU  27  -3.460  -0.066 -15.679
  689   2HB   GLU  27          2HB       GLU  27  -3.689   1.214 -16.871
  690   1HG   GLU  27          1HG       GLU  27  -1.763  -0.905 -17.633
  691   2HG   GLU  27          2HG       GLU  27  -3.450  -1.412 -17.527
  692    H    GLU  28           H        GLU  28  -2.188   3.395 -15.186
  693    HA   GLU  28           HA       GLU  28  -2.022   4.858 -17.707
  694   1HB   GLU  28          1HB       GLU  28  -2.669   5.308 -14.851
  695   2HB   GLU  28          2HB       GLU  28  -2.028   6.715 -15.701
  696   1HG   GLU  28          1HG       GLU  28  -4.298   5.021 -16.776
  697   2HG   GLU  28          2HG       GLU  28  -4.550   6.471 -15.802
  698    H    ASN  29           H        ASN  29  -0.132   5.048 -14.659
  699    HA   ASN  29           HA       ASN  29   1.926   6.742 -15.603
  700   1HB   ASN  29          1HB       ASN  29   1.362   4.944 -13.379
  701   2HB   ASN  29          2HB       ASN  29   3.080   4.957 -13.778
  702   1HD2  ASN  29          1HD2      ASN  29   1.611   6.226 -11.432
  703   2HD2  ASN  29          2HD2      ASN  29   2.053   7.865 -11.483
  704    H    GLY  30           H        GLY  30   1.976   3.154 -15.405
  705   1HA   GLY  30          1HA       GLY  30   2.804   2.149 -17.653
  706   2HA   GLY  30          2HA       GLY  30   4.207   3.185 -17.389
  707    H    ARG  31           H        ARG  31   2.303   1.037 -15.241
  708    HA   ARG  31           HA       ARG  31   4.498  -0.845 -14.919
  709   1HB   ARG  31          1HB       ARG  31   5.108  -0.176 -12.639
  710   2HB   ARG  31          2HB       ARG  31   5.325   1.191 -13.731
  711   1HG   ARG  31          1HG       ARG  31   2.676   1.432 -12.927
  712   2HG   ARG  31          2HG       ARG  31   3.503   0.902 -11.460
  713   1HD   ARG  31          1HD       ARG  31   4.305   3.272 -13.189
  714   2HD   ARG  31          2HD       ARG  31   3.562   3.355 -11.581
  715    HE   ARG  31           HE       ARG  31   5.867   1.668 -11.445
  716   1HH1  ARG  31          1HH1      ARG  31   4.977   4.202  -9.822
  717   2HH1  ARG  31          2HH1      ARG  31   6.391   5.181 -10.019
  718   1HH2  ARG  31          1HH2      ARG  31   7.689   3.255 -12.593
  719   2HH2  ARG  31          2HH2      ARG  31   7.927   4.644 -11.587
  720    H    SER  32           H        SER  32   3.859  -1.679 -12.280
  721    HA   SER  32           HA       SER  32   1.150  -2.819 -12.736
  722   1HB   SER  32          1HB       SER  32   1.915  -4.544 -11.244
  723   2HB   SER  32          2HB       SER  32   3.272  -4.176 -12.303
  724    HG   SER  32           HG       SER  32   3.987  -4.201 -10.181
  725    H    VAL  33           H        VAL  33   0.143  -3.307 -10.341
  726    HA   VAL  33           HA       VAL  33  -0.465  -0.669  -9.249
  727    HB   VAL  33           HB       VAL  33  -1.313  -3.511  -8.641
  728   1HG1  VAL  33          1HG1      VAL  33  -3.281  -1.712  -7.789
  729   2HG1  VAL  33          2HG1      VAL  33  -1.764  -1.031  -7.201
  730   3HG1  VAL  33          3HG1      VAL  33  -2.222  -2.675  -6.761
  731   1HG2  VAL  33          1HG2      VAL  33  -2.795  -1.265 -10.033
  732   2HG2  VAL  33          2HG2      VAL  33  -3.249  -2.970  -9.964
  733   3HG2  VAL  33          3HG2      VAL  33  -1.838  -2.469 -10.898
  734    H    ASN  34           H        ASN  34   1.907  -3.038  -8.589
  735    HA   ASN  34           HA       ASN  34   2.071  -2.677  -5.694
  736   1HB   ASN  34          1HB       ASN  34   3.639  -3.943  -7.919
  737   2HB   ASN  34          2HB       ASN  34   4.454  -3.672  -6.378
  738   1HD2  ASN  34          1HD2      ASN  34   3.895  -5.029  -4.617
  739   2HD2  ASN  34          2HD2      ASN  34   2.744  -6.271  -4.720
  740    H    SER  35           H        SER  35   3.421  -1.124  -8.555
  741    HA   SER  35           HA       SER  35   5.301   0.501  -6.949
  742   1HB   SER  35          1HB       SER  35   4.711  -0.074  -9.820
  743   2HB   SER  35          2HB       SER  35   5.477   1.469  -9.451
  744    HG   SER  35           HG       SER  35   6.751  -0.671  -9.762
  745    H    GLU  36           H        GLU  36   2.159   0.786  -8.536
  746    HA   GLU  36           HA       GLU  36   1.963   3.638  -8.590
  747   1HB   GLU  36          1HB       GLU  36   0.572   1.904  -9.775
  748   2HB   GLU  36          2HB       GLU  36  -0.181   1.523  -8.227
  749   1HG   GLU  36          1HG       GLU  36  -1.560   3.100  -9.477
  750   2HG   GLU  36          2HG       GLU  36  -0.922   3.865  -8.024
  751    H    ILE  37           H        ILE  37   0.751   1.235  -6.225
  752    HA   ILE  37           HA       ILE  37  -0.204   3.179  -4.328
  753    HB   ILE  37           HB       ILE  37   0.561   0.252  -4.234
  754   1HG1  ILE  37          1HG1      ILE  37  -1.927   1.885  -4.642
  755   2HG1  ILE  37          2HG1      ILE  37  -1.378   0.459  -5.515
  756   1HG2  ILE  37          1HG2      ILE  37  -0.855   1.841  -2.067
  757   2HG2  ILE  37          2HG2      ILE  37   0.826   1.312  -1.969
  758   3HG2  ILE  37          3HG2      ILE  37  -0.473   0.120  -2.028
  759   1HD1  ILE  37          1HD1      ILE  37  -2.565   0.543  -2.730
  760   2HD1  ILE  37          2HD1      ILE  37  -1.867  -0.904  -3.460
  761   3HD1  ILE  37          3HD1      ILE  37  -3.299  -0.159  -4.172
  762    H    TYR  38           H        TYR  38   2.964   1.921  -5.062
  763    HA   TYR  38           HA       TYR  38   4.218   2.388  -2.513
  764   1HB   TYR  38          1HB       TYR  38   5.096   0.928  -4.295
  765   2HB   TYR  38          2HB       TYR  38   5.286   2.326  -5.355
  766    HD1  TYR  38           HD1      TYR  38   7.456   3.141  -5.526
  767    HD2  TYR  38           HD2      TYR  38   6.115   1.454  -1.794
  768    HE1  TYR  38           HE1      TYR  38   9.692   3.609  -4.516
  769    HE2  TYR  38           HE2      TYR  38   8.348   1.917  -0.777
  770    HH   TYR  38           HH       TYR  38  10.652   3.950  -2.247
  771    H    GLN  39           H        GLN  39   3.791   4.376  -5.446
  772    HA   GLN  39           HA       GLN  39   5.403   6.596  -4.510
  773   1HB   GLN  39          1HB       GLN  39   3.237   6.255  -6.606
  774   2HB   GLN  39          2HB       GLN  39   4.169   7.741  -6.413
  775   1HG   GLN  39          1HG       GLN  39   5.685   5.176  -6.617
  776   2HG   GLN  39          2HG       GLN  39   4.952   5.814  -8.090
  777   1HE2  GLN  39          1HE2      GLN  39   7.870   5.702  -7.354
  778   2HE2  GLN  39          2HE2      GLN  39   8.415   7.308  -7.431
  779    H    ARG  40           H        ARG  40   1.887   5.939  -4.529
  780    HA   ARG  40           HA       ARG  40   1.064   8.439  -3.391
  781   1HB   ARG  40          1HB       ARG  40  -0.185   5.682  -3.105
  782   2HB   ARG  40          2HB       ARG  40  -1.023   7.229  -3.006
  783   1HG   ARG  40          1HG       ARG  40   0.236   7.419  -5.447
  784   2HG   ARG  40          2HG       ARG  40  -0.177   5.707  -5.378
  785   1HD   ARG  40          1HD       ARG  40  -2.535   6.360  -4.779
  786   2HD   ARG  40          2HD       ARG  40  -2.083   8.051  -5.072
  787    HE   ARG  40           HE       ARG  40  -2.305   5.948  -7.130
  788   1HH1  ARG  40          1HH1      ARG  40   0.272   7.380  -7.590
  789   2HH1  ARG  40          2HH1      ARG  40  -0.216   8.706  -8.592
  790   1HH2  ARG  40          1HH2      ARG  40  -3.583   8.393  -7.822
  791   2HH2  ARG  40          2HH2      ARG  40  -2.398   9.281  -8.721
  792    H    VAL  41           H        VAL  41   2.246   5.432  -1.997
  793    HA   VAL  41           HA       VAL  41   1.642   6.183   0.775
  794    HB   VAL  41           HB       VAL  41   3.199   3.984  -0.613
  795   1HG1  VAL  41          1HG1      VAL  41   3.030   2.806   1.609
  796   2HG1  VAL  41          2HG1      VAL  41   2.519   4.337   2.321
  797   3HG1  VAL  41          3HG1      VAL  41   4.127   4.187   1.611
  798   1HG2  VAL  41          1HG2      VAL  41   1.246   2.773  -0.563
  799   2HG2  VAL  41          2HG2      VAL  41   0.541   4.387  -0.608
  800   3HG2  VAL  41          3HG2      VAL  41   0.691   3.532   0.928
  801    H    MET  42           H        MET  42   4.287   6.540  -1.472
  802    HA   MET  42           HA       MET  42   6.370   6.965   0.523
  803   1HB   MET  42          1HB       MET  42   6.037   6.685  -2.325
  804   2HB   MET  42          2HB       MET  42   7.028   8.101  -1.993
  805   1HG   MET  42          1HG       MET  42   7.613   5.611  -0.453
  806   2HG   MET  42          2HG       MET  42   8.098   5.658  -2.147
  807   1HE   MET  42          1HE       MET  42   9.109   7.250  -3.231
  808   2HE   MET  42          2HE       MET  42  10.781   7.449  -2.715
  809   3HE   MET  42          3HE       MET  42   9.673   8.817  -2.636
  810    H    GLU  43           H        GLU  43   4.210   9.043  -1.383
  811    HA   GLU  43           HA       GLU  43   5.510  11.536  -0.683
  812   1HB   GLU  43          1HB       GLU  43   2.738  10.807  -1.679
  813   2HB   GLU  43          2HB       GLU  43   3.357  12.457  -1.606
  814   1HG   GLU  43          1HG       GLU  43   5.364  11.515  -2.977
  815   2HG   GLU  43          2HG       GLU  43   4.273  10.179  -3.348
  816    H    SER  44           H        SER  44   2.926   9.592   0.752
  817    HA   SER  44           HA       SER  44   1.791  11.474   2.532
  818   1HB   SER  44          1HB       SER  44   1.640   8.753   1.967
  819   2HB   SER  44          2HB       SER  44   2.191   8.791   3.640
  820    HG   SER  44           HG       SER  44  -0.163   9.815   2.488
  821    H    PHE  45           H        PHE  45   4.451   9.161   3.215
  822    HA   PHE  45           HA       PHE  45   5.092  10.164   5.805
  823   1HB   PHE  45          1HB       PHE  45   6.662   8.722   3.651
  824   2HB   PHE  45          2HB       PHE  45   7.273   8.966   5.288
  825    HD1  PHE  45           HD1      PHE  45   6.006   6.481   3.392
  826    HD2  PHE  45           HD2      PHE  45   5.011   8.578   7.031
  827    HE1  PHE  45           HE1      PHE  45   4.710   4.503   4.178
  828    HE2  PHE  45           HE2      PHE  45   3.714   6.600   7.817
  829    HZ   PHE  45           HZ       PHE  45   3.565   4.563   6.392
  830    H    LYS  46           H        LYS  46   5.763  11.441   2.639
  831    HA   LYS  46           HA       LYS  46   8.074  13.048   3.469
  832   1HB   LYS  46          1HB       LYS  46   7.697  12.130   1.173
  833   2HB   LYS  46          2HB       LYS  46   6.286  13.180   1.016
  834   1HG   LYS  46          1HG       LYS  46   7.612  15.153   1.095
  835   2HG   LYS  46          2HG       LYS  46   9.022  14.275   1.690
  836   1HD   LYS  46          1HD       LYS  46   7.904  13.379  -0.918
  837   2HD   LYS  46          2HD       LYS  46   8.722  14.941  -0.905
  838   1HE   LYS  46          1HE       LYS  46  10.634  13.726   0.353
  839   2HE   LYS  46          2HE       LYS  46   9.857  12.230  -0.202
  840   1HZ   LYS  46          1HZ       LYS  46  11.563  13.316  -1.749
  841   2HZ   LYS  46          2HZ       LYS  46  10.360  14.475  -2.057
  842   3HZ   LYS  46          3HZ       LYS  46  10.081  12.839  -2.423
  843    H    LYS  47           H        LYS  47   4.590  13.436   3.281
  844    HA   LYS  47           HA       LYS  47   4.484  16.312   3.324
  845   1HB   LYS  47          1HB       LYS  47   2.705  13.976   3.828
  846   2HB   LYS  47          2HB       LYS  47   2.182  15.521   4.503
  847   1HG   LYS  47          1HG       LYS  47   2.976  15.093   1.607
  848   2HG   LYS  47          2HG       LYS  47   1.314  15.140   2.192
  849   1HD   LYS  47          1HD       LYS  47   2.155  17.436   3.270
  850   2HD   LYS  47          2HD       LYS  47   3.293  17.358   1.923
  851   1HE   LYS  47          1HE       LYS  47   0.954  16.701   0.657
  852   2HE   LYS  47          2HE       LYS  47   0.375  17.846   1.884
  853   1HZ   LYS  47          1HZ       LYS  47   1.088  19.246   0.205
  854   2HZ   LYS  47          2HZ       LYS  47   2.400  18.254  -0.224
  855   3HZ   LYS  47          3HZ       LYS  47   2.460  19.182   1.198
  856    H    GLU  48           H        GLU  48   4.632  13.847   5.887
  857    HA   GLU  48           HA       GLU  48   4.362  15.828   8.039
  858   1HB   GLU  48          1HB       GLU  48   3.761  13.227   7.803
  859   2HB   GLU  48          2HB       GLU  48   5.392  13.051   8.451
  860   1HG   GLU  48          1HG       GLU  48   3.265  14.800   9.716
  861   2HG   GLU  48          2HG       GLU  48   3.589  13.141  10.215
  862    H    GLY  49           H        GLY  49   6.964  14.192   6.323
  863   1HA   GLY  49          1HA       GLY  49   9.229  15.011   6.262
  864   2HA   GLY  49          2HA       GLY  49   8.917  15.905   7.752
  865    H    ARG  50           H        ARG  50   7.959  12.559   7.428
  866    HA   ARG  50           HA       ARG  50   9.493  11.800   9.778
  867   1HB   ARG  50          1HB       ARG  50   7.304  10.887   8.225
  868   2HB   ARG  50          2HB       ARG  50   8.499   9.590   8.212
  869   1HG   ARG  50          1HG       ARG  50   8.310   9.208  10.462
  870   2HG   ARG  50          2HG       ARG  50   8.029  10.911  10.831
  871   1HD   ARG  50          1HD       ARG  50   5.726  10.773  10.247
  872   2HD   ARG  50          2HD       ARG  50   5.953   9.230   9.400
  873    HE   ARG  50           HE       ARG  50   6.745   8.470  11.827
  874   1HH1  ARG  50          1HH1      ARG  50   5.250  11.263  12.383
  875   2HH1  ARG  50          2HH1      ARG  50   3.826  10.634  13.145
  876   1HH2  ARG  50          1HH2      ARG  50   4.446   7.358  12.192
  877   2HH2  ARG  50          2HH2      ARG  50   3.370   8.424  13.032
  878    H    ILE  51           H        ILE  51   9.749  11.091   6.284
  879    HA   ILE  51           HA       ILE  51  12.366   9.746   6.792
  880    HB   ILE  51           HB       ILE  51  12.020   8.945   4.445
  881   1HG1  ILE  51          1HG1      ILE  51   9.276  10.198   4.642
  882   2HG1  ILE  51          2HG1      ILE  51  10.622  11.025   3.855
  883   1HG2  ILE  51          1HG2      ILE  51  11.208   7.548   6.235
  884   2HG2  ILE  51          2HG2      ILE  51   9.975   7.565   4.975
  885   3HG2  ILE  51          3HG2      ILE  51   9.766   8.544   6.427
  886   1HD1  ILE  51          1HD1      ILE  51  10.733   8.466   2.787
  887   2HD1  ILE  51          2HD1      ILE  51  10.041   9.879   1.992
  888   3HD1  ILE  51          3HD1      ILE  51   9.002   8.782   2.901
  889    H    GLY  52           H        GLY  52  13.885  10.149   4.726
  890   1HA   GLY  52          1HA       GLY  52  14.455  11.969   3.057
  891   2HA   GLY  52          2HA       GLY  52  14.012  13.113   4.327
  892    H    ALA  53           H        ALA  53  15.836  10.104   4.758
  893    HA   ALA  53           HA       ALA  53  18.180  11.762   5.640
  894   1HB   ALA  53          1HB       ALA  53  16.621  10.261   7.214
  895   2HB   ALA  53          2HB       ALA  53  18.361  10.367   7.483
  896   3HB   ALA  53          3HB       ALA  53  17.685   8.982   6.626
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  19.152 -14.072  13.803
    2   2H    MET   1          2H        MET   1  19.272 -15.492  14.727
    3   3H    MET   1          3H        MET   1  20.381 -14.226  14.960
    4    HA   MET   1           HA       MET   1  18.533 -14.440  16.678
    5   1HB   MET   1          1HB       MET   1  19.746 -12.206  15.230
    6   2HB   MET   1          2HB       MET   1  18.237 -11.749  16.024
    7   1HG   MET   1          1HG       MET   1  19.043 -12.297  18.157
    8   2HG   MET   1          2HG       MET   1  20.298 -13.357  17.514
    9   1HE   MET   1          1HE       MET   1  21.837 -11.247  19.606
   10   2HE   MET   1          2HE       MET   1  23.071 -11.533  18.382
   11   3HE   MET   1          3HE       MET   1  21.889 -12.790  18.743
   12    H    LYS   2           H        LYS   2  17.551 -12.444  13.866
   13    HA   LYS   2           HA       LYS   2  14.732 -12.713  14.490
   14   1HB   LYS   2          1HB       LYS   2  14.495 -11.452  12.383
   15   2HB   LYS   2          2HB       LYS   2  15.789 -10.769  13.365
   16   1HG   LYS   2          1HG       LYS   2  17.481 -11.786  12.025
   17   2HG   LYS   2          2HG       LYS   2  16.313 -12.830  11.215
   18   1HD   LYS   2          1HD       LYS   2  15.507 -10.085  10.898
   19   2HD   LYS   2          2HD       LYS   2  17.188 -10.260  10.393
   20   1HE   LYS   2          1HE       LYS   2  14.989 -12.136   9.462
   21   2HE   LYS   2          2HE       LYS   2  15.508 -10.706   8.546
   22   1HZ   LYS   2          1HZ       LYS   2  16.848 -12.476   7.787
   23   2HZ   LYS   2          2HZ       LYS   2  17.150 -13.036   9.362
   24   3HZ   LYS   2          3HZ       LYS   2  17.835 -11.575   8.831
   25    H    GLY   3           H        GLY   3  13.178 -14.001  13.401
   26   1HA   GLY   3          1HA       GLY   3  14.075 -15.817  11.254
   27   2HA   GLY   3          2HA       GLY   3  13.556 -16.592  12.751
   28    H    MET   4           H        MET   4  11.339 -15.769  13.564
   29    HA   MET   4           HA       MET   4   9.416 -16.104  11.384
   30   1HB   MET   4          1HB       MET   4   9.561 -16.249  14.287
   31   2HB   MET   4          2HB       MET   4   8.101 -15.407  13.765
   32   1HG   MET   4          1HG       MET   4   7.350 -17.252  12.493
   33   2HG   MET   4          2HG       MET   4   8.943 -18.010  12.492
   34   1HE   MET   4          1HE       MET   4   7.159 -19.674  12.681
   35   2HE   MET   4          2HE       MET   4   6.097 -19.953  14.058
   36   3HE   MET   4          3HE       MET   4   7.699 -20.685  14.029
   37    H    SER   5           H        SER   5   8.188 -14.488  10.437
   38    HA   SER   5           HA       SER   5   8.272 -11.750  11.635
   39   1HB   SER   5          1HB       SER   5   8.857 -12.506   8.753
   40   2HB   SER   5          2HB       SER   5   8.831 -10.866   9.397
   41    HG   SER   5           HG       SER   5  10.919 -12.191   9.251
   42    H    LYS   6           H        LYS   6   6.826 -10.389   9.762
   43    HA   LYS   6           HA       LYS   6   4.404 -11.979   9.094
   44   1HB   LYS   6          1HB       LYS   6   4.760 -10.190  11.364
   45   2HB   LYS   6          2HB       LYS   6   3.447  -9.640  10.321
   46   1HG   LYS   6          1HG       LYS   6   2.789 -12.207  10.353
   47   2HG   LYS   6          2HG       LYS   6   3.702 -12.196  11.862
   48   1HD   LYS   6          1HD       LYS   6   2.198 -10.809  12.926
   49   2HD   LYS   6          2HD       LYS   6   1.729  -9.997  11.432
   50   1HE   LYS   6          1HE       LYS   6   1.025 -12.826  11.354
   51   2HE   LYS   6          2HE       LYS   6   0.266 -11.998  12.728
   52   1HZ   LYS   6          1HZ       LYS   6  -0.661 -10.384  11.341
   53   2HZ   LYS   6          2HZ       LYS   6  -0.906 -11.831  10.485
   54   3HZ   LYS   6          3HZ       LYS   6   0.349 -10.777  10.035
   55    H    MET   7           H        MET   7   6.218 -10.880   7.264
   56    HA   MET   7           HA       MET   7   5.110  -8.269   6.385
   57   1HB   MET   7          1HB       MET   7   7.520  -9.957   5.910
   58   2HB   MET   7          2HB       MET   7   7.015  -8.909   4.584
   59   1HG   MET   7          1HG       MET   7   7.061  -6.961   6.073
   60   2HG   MET   7          2HG       MET   7   7.498  -7.992   7.434
   61   1HE   MET   7          1HE       MET   7  10.249  -5.623   5.191
   62   2HE   MET   7          2HE       MET   7   9.428  -5.468   6.742
   63   3HE   MET   7          3HE       MET   7   8.483  -5.571   5.259
   64    HA   PRO   8           HA       PRO   8   2.477 -10.426   3.512
   65   1HB   PRO   8          1HB       PRO   8   1.691  -8.269   2.027
   66   2HB   PRO   8          2HB       PRO   8   1.046  -8.613   3.644
   67   1HG   PRO   8          1HG       PRO   8   3.123  -6.655   2.813
   68   2HG   PRO   8          2HG       PRO   8   1.857  -6.506   4.041
   69   1HD   PRO   8          1HD       PRO   8   4.479  -7.031   4.614
   70   2HD   PRO   8          2HD       PRO   8   3.121  -7.517   5.651
   71    H    GLN   9           H        GLN   9   2.504 -10.983   1.218
   72    HA   GLN   9           HA       GLN   9   5.155 -10.853   0.014
   73   1HB   GLN   9          1HB       GLN   9   2.452 -11.887  -0.896
   74   2HB   GLN   9          2HB       GLN   9   3.954 -12.155  -1.780
   75   1HG   GLN   9          1HG       GLN   9   3.613 -12.928   1.126
   76   2HG   GLN   9          2HG       GLN   9   3.258 -14.035  -0.202
   77   1HE2  GLN   9          1HE2      GLN   9   5.698 -13.212   1.913
   78   2HE2  GLN   9          2HE2      GLN   9   7.040 -13.687   0.987
   79    H    PHE  10           H        PHE  10   2.422  -8.775  -0.069
   80    HA   PHE  10           HA       PHE  10   2.779  -7.803  -2.804
   81   1HB   PHE  10          1HB       PHE  10   0.616  -7.758  -1.658
   82   2HB   PHE  10          2HB       PHE  10   1.291  -6.759  -0.370
   83    HD1  PHE  10           HD1      PHE  10   1.522  -4.387  -0.615
   84    HD2  PHE  10           HD2      PHE  10   0.485  -6.835  -4.015
   85    HE1  PHE  10           HE1      PHE  10   1.028  -2.336  -1.939
   86    HE2  PHE  10           HE2      PHE  10  -0.011  -4.783  -5.340
   87    HZ   PHE  10           HZ       PHE  10   0.261  -2.533  -4.301
   88    H    LEU  11           H        LEU  11   3.848  -6.823   0.437
   89    HA   LEU  11           HA       LEU  11   5.076  -4.342  -0.590
   90   1HB   LEU  11          1HB       LEU  11   5.064  -5.706   2.123
   91   2HB   LEU  11          2HB       LEU  11   5.663  -4.075   1.812
   92    HG   LEU  11           HG       LEU  11   2.840  -4.947   1.151
   93   1HD1  LEU  11          1HD1      LEU  11   2.233  -4.656   3.302
   94   2HD1  LEU  11          2HD1      LEU  11   3.093  -3.120   3.392
   95   3HD1  LEU  11          3HD1      LEU  11   3.947  -4.629   3.718
   96   1HD2  LEU  11          1HD2      LEU  11   4.397  -2.381   1.130
   97   2HD2  LEU  11          2HD2      LEU  11   2.664  -2.326   1.444
   98   3HD2  LEU  11          3HD2      LEU  11   3.265  -3.005  -0.069
   99    H    ASN  12           H        ASN  12   5.998  -7.347  -1.137
  100    HA   ASN  12           HA       ASN  12   8.606  -7.654  -0.007
  101   1HB   ASN  12          1HB       ASN  12   6.858  -9.056  -1.629
  102   2HB   ASN  12          2HB       ASN  12   8.185  -8.685  -2.728
  103   1HD2  ASN  12          1HD2      ASN  12   7.559 -10.073   0.532
  104   2HD2  ASN  12          2HD2      ASN  12   8.907 -11.104   0.516
  105    H    ARG  13           H        ARG  13   7.412  -5.778  -2.733
  106    HA   ARG  13           HA       ARG  13  10.075  -5.300  -3.857
  107   1HB   ARG  13          1HB       ARG  13   7.244  -4.435  -4.364
  108   2HB   ARG  13          2HB       ARG  13   8.565  -3.569  -5.148
  109   1HG   ARG  13          1HG       ARG  13   9.412  -5.705  -6.067
  110   2HG   ARG  13          2HG       ARG  13   8.069  -6.557  -5.308
  111   1HD   ARG  13          1HD       ARG  13   6.457  -5.266  -6.647
  112   2HD   ARG  13          2HD       ARG  13   7.789  -4.354  -7.386
  113    HE   ARG  13           HE       ARG  13   7.775  -7.331  -7.593
  114   1HH1  ARG  13          1HH1      ARG  13   9.792  -5.585  -9.001
  115   2HH1  ARG  13          2HH1      ARG  13   9.138  -5.511 -10.603
  116   1HH2  ARG  13          1HH2      ARG  13   5.998  -6.640  -9.658
  117   2HH2  ARG  13          2HH2      ARG  13   6.989  -6.110 -10.974
  118    H    TRP  14           H        TRP  14   7.989  -3.791  -1.511
  119    HA   TRP  14           HA       TRP  14   9.017  -1.125  -1.576
  120   1HB   TRP  14          1HB       TRP  14   7.734  -2.905   0.497
  121   2HB   TRP  14          2HB       TRP  14   8.153  -1.234   0.838
  122    HD1  TRP  14           HD1      TRP  14   6.826  -2.404  -2.577
  123    HE1  TRP  14           HE1      TRP  14   4.561  -1.252  -3.004
  124    HE3  TRP  14           HE3      TRP  14   6.179  -0.129   1.923
  125    HZ2  TRP  14           HZ2      TRP  14   2.692   0.435  -1.599
  126    HZ3  TRP  14           HZ3      TRP  14   4.144   1.249   2.383
  127    HH2  TRP  14           HH2      TRP  14   2.406   1.534   0.619
  128    HA   PRO  15           HA       PRO  15  13.077  -1.892  -0.011
  129   1HB   PRO  15          1HB       PRO  15  13.651   0.603   0.969
  130   2HB   PRO  15          2HB       PRO  15  13.672   0.204  -0.759
  131   1HG   PRO  15          1HG       PRO  15  11.556   1.558   0.844
  132   2HG   PRO  15          2HG       PRO  15  12.139   1.924  -0.787
  133   1HD   PRO  15          1HD       PRO  15   9.830   0.583  -0.327
  134   2HD   PRO  15          2HD       PRO  15  10.840   0.292  -1.761
  135    H    ARG  16           H        ARG  16  14.326  -1.523   2.125
  136    HA   ARG  16           HA       ARG  16  12.676  -2.449   4.319
  137   1HB   ARG  16          1HB       ARG  16  14.702  -3.447   4.519
  138   2HB   ARG  16          2HB       ARG  16  15.460  -2.284   3.455
  139   1HG   ARG  16          1HG       ARG  16  16.021  -0.843   5.201
  140   2HG   ARG  16          2HG       ARG  16  14.819  -1.532   6.295
  141   1HD   ARG  16          1HD       ARG  16  16.212  -3.228   6.956
  142   2HD   ARG  16          2HD       ARG  16  16.893  -3.428   5.327
  143    HE   ARG  16           HE       ARG  16  17.652  -1.175   7.155
  144   1HH1  ARG  16          1HH1      ARG  16  19.256  -3.806   6.600
  145   2HH1  ARG  16          2HH1      ARG  16  20.471  -3.186   5.531
  146   1HH2  ARG  16          1HH2      ARG  16  18.800  -0.206   4.934
  147   2HH2  ARG  16          2HH2      ARG  16  20.213  -1.146   4.590
  148    H    GLU  17           H        GLU  17  13.911   0.633   3.244
  149    HA   GLU  17           HA       GLU  17  13.818   1.969   5.813
  150   1HB   GLU  17          1HB       GLU  17  14.074   2.695   2.913
  151   2HB   GLU  17          2HB       GLU  17  13.756   3.976   4.084
  152   1HG   GLU  17          1HG       GLU  17  15.942   3.990   4.610
  153   2HG   GLU  17          2HG       GLU  17  15.777   2.340   5.213
  154    H    VAL  18           H        VAL  18  11.617   1.880   2.989
  155    HA   VAL  18           HA       VAL  18   9.619   3.589   4.171
  156    HB   VAL  18           HB       VAL  18   9.519   1.484   1.979
  157   1HG1  VAL  18          1HG1      VAL  18   7.529   2.915   1.233
  158   2HG1  VAL  18          2HG1      VAL  18   7.555   3.616   2.851
  159   3HG1  VAL  18          3HG1      VAL  18   7.260   1.889   2.642
  160   1HG2  VAL  18          1HG2      VAL  18  11.115   3.314   1.561
  161   2HG2  VAL  18          2HG2      VAL  18   9.862   4.503   1.917
  162   3HG2  VAL  18          3HG2      VAL  18   9.717   3.467   0.497
  163    H    LEU  19           H        LEU  19  10.032   0.056   4.046
  164    HA   LEU  19           HA       LEU  19   7.531  -0.634   5.263
  165   1HB   LEU  19          1HB       LEU  19  10.222  -1.918   4.856
  166   2HB   LEU  19          2HB       LEU  19   8.990  -2.748   5.806
  167    HG   LEU  19           HG       LEU  19   8.444  -1.652   3.041
  168   1HD1  LEU  19          1HD1      LEU  19   8.920  -4.566   3.577
  169   2HD1  LEU  19          2HD1      LEU  19  10.306  -3.506   3.320
  170   3HD1  LEU  19          3HD1      LEU  19   9.076  -3.669   2.067
  171   1HD2  LEU  19          1HD2      LEU  19   6.814  -2.691   5.092
  172   2HD2  LEU  19          2HD2      LEU  19   6.957  -3.988   3.904
  173   3HD2  LEU  19          3HD2      LEU  19   6.351  -2.405   3.414
  174    H    ASP  20           H        ASP  20  10.679   0.279   6.610
  175    HA   ASP  20           HA       ASP  20  10.117  -0.563   9.325
  176   1HB   ASP  20          1HB       ASP  20  12.300   0.213   7.933
  177   2HB   ASP  20          2HB       ASP  20  11.936   1.727   8.759
  178    H    LEU  21           H        LEU  21   9.244   2.214   7.415
  179    HA   LEU  21           HA       LEU  21   8.551   3.874   9.757
  180   1HB   LEU  21          1HB       LEU  21   9.544   4.853   7.748
  181   2HB   LEU  21          2HB       LEU  21   8.257   4.178   6.751
  182    HG   LEU  21           HG       LEU  21   6.611   5.533   8.088
  183   1HD1  LEU  21          1HD1      LEU  21   7.353   7.201   9.599
  184   2HD1  LEU  21          2HD1      LEU  21   9.024   7.068   9.055
  185   3HD1  LEU  21          3HD1      LEU  21   8.308   5.781  10.024
  186   1HD2  LEU  21          1HD2      LEU  21   8.840   6.928   6.584
  187   2HD2  LEU  21          2HD2      LEU  21   7.339   7.730   7.048
  188   3HD2  LEU  21          3HD2      LEU  21   7.301   6.362   5.935
  189    H    VAL  22           H        VAL  22   6.921   2.012   7.207
  190    HA   VAL  22           HA       VAL  22   4.227   2.785   7.828
  191    HB   VAL  22           HB       VAL  22   5.224   0.146   6.707
  192   1HG1  VAL  22          1HG1      VAL  22   2.768   0.466   7.237
  193   2HG1  VAL  22          2HG1      VAL  22   3.117   0.096   5.550
  194   3HG1  VAL  22          3HG1      VAL  22   2.747   1.752   6.031
  195   1HG2  VAL  22          1HG2      VAL  22   5.730   2.778   5.717
  196   2HG2  VAL  22          2HG2      VAL  22   4.537   2.030   4.655
  197   3HG2  VAL  22          3HG2      VAL  22   6.089   1.238   4.933
  198    H    ARG  23           H        ARG  23   6.141  -0.099   8.769
  199    HA   ARG  23           HA       ARG  23   4.169  -1.325  10.409
  200   1HB   ARG  23          1HB       ARG  23   6.141  -2.510  11.351
  201   2HB   ARG  23          2HB       ARG  23   6.228  -2.397   9.595
  202   1HG   ARG  23          1HG       ARG  23   8.366  -1.699  10.135
  203   2HG   ARG  23          2HG       ARG  23   7.532  -0.145  10.153
  204   1HD   ARG  23          1HD       ARG  23   8.167   0.109  12.314
  205   2HD   ARG  23          2HD       ARG  23   7.177  -1.303  12.735
  206    HE   ARG  23           HE       ARG  23   9.723  -2.036  11.517
  207   1HH1  ARG  23          1HH1      ARG  23   9.882  -0.187  14.087
  208   2HH1  ARG  23          2HH1      ARG  23  10.214  -1.402  15.275
  209   1HH2  ARG  23          1HH2      ARG  23   9.381  -4.045  13.192
  210   2HH2  ARG  23          2HH2      ARG  23   9.931  -3.586  14.769
  211    H    LYS  24           H        LYS  24   6.560   1.198  11.156
  212    HA   LYS  24           HA       LYS  24   6.066   1.197  14.018
  213   1HB   LYS  24          1HB       LYS  24   7.863   2.295  12.172
  214   2HB   LYS  24          2HB       LYS  24   7.023   3.691  12.846
  215   1HG   LYS  24          1HG       LYS  24   8.108   1.509  14.624
  216   2HG   LYS  24          2HG       LYS  24   9.119   2.856  14.098
  217   1HD   LYS  24          1HD       LYS  24   7.677   4.463  15.138
  218   2HD   LYS  24          2HD       LYS  24   6.429   3.250  15.424
  219   1HE   LYS  24          1HE       LYS  24   8.256   2.021  16.825
  220   2HE   LYS  24          2HE       LYS  24   9.071   3.598  16.838
  221   1HZ   LYS  24          1HZ       LYS  24   7.080   4.627  17.664
  222   2HZ   LYS  24          2HZ       LYS  24   7.485   3.338  18.692
  223   3HZ   LYS  24          3HZ       LYS  24   6.223   3.166  17.569
  224    H    VAL  25           H        VAL  25   4.552   2.678  11.240
  225    HA   VAL  25           HA       VAL  25   3.082   4.679  12.825
  226    HB   VAL  25           HB       VAL  25   3.015   3.775   9.927
  227   1HG1  VAL  25          1HG1      VAL  25   1.579   5.552   9.431
  228   2HG1  VAL  25          2HG1      VAL  25   1.947   6.400  10.935
  229   3HG1  VAL  25          3HG1      VAL  25   0.923   4.964  10.958
  230   1HG2  VAL  25          1HG2      VAL  25   4.039   6.436  10.787
  231   2HG2  VAL  25          2HG2      VAL  25   4.610   5.371   9.502
  232   3HG2  VAL  25          3HG2      VAL  25   5.041   5.036  11.179
  233    H    ALA  26           H        ALA  26   2.620   1.415  11.707
  234    HA   ALA  26           HA       ALA  26  -0.308   1.484  11.901
  235   1HB   ALA  26          1HB       ALA  26   0.395  -1.133  11.844
  236   2HB   ALA  26          2HB       ALA  26   1.886  -0.414  11.237
  237   3HB   ALA  26          3HB       ALA  26   0.362  -0.126  10.397
  238    H    GLU  27           H        GLU  27   2.443   0.633  13.925
  239    HA   GLU  27           HA       GLU  27   0.857  -0.700  15.981
  240   1HB   GLU  27          1HB       GLU  27   3.317  -1.033  15.320
  241   2HB   GLU  27          2HB       GLU  27   3.639   0.471  16.186
  242   1HG   GLU  27          1HG       GLU  27   2.125  -0.847  18.023
  243   2HG   GLU  27          2HG       GLU  27   2.944  -2.201  17.244
  244    H    GLU  28           H        GLU  28   1.711   2.593  15.219
  245    HA   GLU  28           HA       GLU  28   1.220   3.525  17.993
  246   1HB   GLU  28          1HB       GLU  28   1.892   5.687  17.069
  247   2HB   GLU  28          2HB       GLU  28   3.024   4.449  16.528
  248   1HG   GLU  28          1HG       GLU  28   1.944   4.320  14.366
  249   2HG   GLU  28          2HG       GLU  28   0.651   5.393  14.897
  250    H    ASN  29           H        ASN  29  -0.393   3.432  14.858
  251    HA   ASN  29           HA       ASN  29  -2.581   5.199  15.707
  252   1HB   ASN  29          1HB       ASN  29  -1.464   4.147  13.317
  253   2HB   ASN  29          2HB       ASN  29  -3.136   3.590  13.382
  254   1HD2  ASN  29          1HD2      ASN  29  -1.091   6.414  13.004
  255   2HD2  ASN  29          2HD2      ASN  29  -2.347   7.525  12.737
  256    H    GLY  30           H        GLY  30  -1.844   2.178  16.723
  257   1HA   GLY  30          1HA       GLY  30  -3.120   0.487  17.722
  258   2HA   GLY  30          2HA       GLY  30  -4.500   1.583  17.627
  259    H    ARG  31           H        ARG  31  -2.762   0.806  14.714
  260    HA   ARG  31           HA       ARG  31  -4.976  -1.055  13.910
  261   1HB   ARG  31          1HB       ARG  31  -3.621   1.093  12.248
  262   2HB   ARG  31          2HB       ARG  31  -4.978   0.085  11.746
  263   1HG   ARG  31          1HG       ARG  31  -6.012   1.112  14.015
  264   2HG   ARG  31          2HG       ARG  31  -4.935   2.434  13.562
  265   1HD   ARG  31          1HD       ARG  31  -6.050   1.908  11.143
  266   2HD   ARG  31          2HD       ARG  31  -7.399   1.473  12.211
  267    HE   ARG  31           HE       ARG  31  -6.052   4.140  12.168
  268   1HH1  ARG  31          1HH1      ARG  31  -7.235   3.306  14.826
  269   2HH1  ARG  31          2HH1      ARG  31  -8.824   3.987  14.725
  270   1HH2  ARG  31          1HH2      ARG  31  -8.687   4.469  11.293
  271   2HH2  ARG  31          2HH2      ARG  31  -9.647   4.645  12.724
  272    H    SER  32           H        SER  32  -3.922  -1.490  11.312
  273    HA   SER  32           HA       SER  32  -1.393  -2.964  11.944
  274   1HB   SER  32          1HB       SER  32  -3.349  -3.598   9.735
  275   2HB   SER  32          2HB       SER  32  -2.205  -4.677  10.527
  276    HG   SER  32           HG       SER  32  -4.176  -5.113  11.407
  277    H    VAL  33           H        VAL  33  -0.262  -3.426   9.636
  278    HA   VAL  33           HA       VAL  33   0.449  -0.813   8.577
  279    HB   VAL  33           HB       VAL  33   1.185  -3.664   7.862
  280   1HG1  VAL  33          1HG1      VAL  33   3.247  -1.808   7.270
  281   2HG1  VAL  33          2HG1      VAL  33   1.766  -1.172   6.559
  282   3HG1  VAL  33          3HG1      VAL  33   2.323  -2.791   6.136
  283   1HG2  VAL  33          1HG2      VAL  33   2.334  -1.572   9.723
  284   2HG2  VAL  33          2HG2      VAL  33   3.278  -2.958   9.167
  285   3HG2  VAL  33          3HG2      VAL  33   1.814  -3.212  10.120
  286    H    ASN  34           H        ASN  34  -1.912  -3.196   7.765
  287    HA   ASN  34           HA       ASN  34  -2.054  -2.616   4.899
  288   1HB   ASN  34          1HB       ASN  34  -2.776  -4.753   5.880
  289   2HB   ASN  34          2HB       ASN  34  -3.953  -3.914   6.888
  290   1HD2  ASN  34          1HD2      ASN  34  -3.119  -4.456   3.428
  291   2HD2  ASN  34          2HD2      ASN  34  -4.716  -4.321   2.868
  292    H    SER  35           H        SER  35  -3.827  -1.620   7.830
  293    HA   SER  35           HA       SER  35  -5.707   0.084   6.432
  294   1HB   SER  35          1HB       SER  35  -5.877  -0.980   8.754
  295   2HB   SER  35          2HB       SER  35  -4.757   0.261   9.305
  296    HG   SER  35           HG       SER  35  -7.347   0.571   8.196
  297    H    GLU  36           H        GLU  36  -2.531   0.571   7.963
  298    HA   GLU  36           HA       GLU  36  -2.485   3.429   7.849
  299   1HB   GLU  36          1HB       GLU  36  -0.945   1.372   8.812
  300   2HB   GLU  36          2HB       GLU  36   0.027   1.921   7.445
  301   1HG   GLU  36          1HG       GLU  36   0.684   3.174   9.406
  302   2HG   GLU  36          2HG       GLU  36  -0.177   4.254   8.311
  303    H    ILE  37           H        ILE  37  -1.145   0.954   5.634
  304    HA   ILE  37           HA       ILE  37  -0.238   2.782   3.622
  305    HB   ILE  37           HB       ILE  37  -1.109  -0.129   3.577
  306   1HG1  ILE  37          1HG1      ILE  37   0.796   0.432   5.069
  307   2HG1  ILE  37          2HG1      ILE  37   1.304  -0.570   3.709
  308   1HG2  ILE  37          1HG2      ILE  37   0.786   0.330   1.556
  309   2HG2  ILE  37          2HG2      ILE  37  -0.367   1.655   1.408
  310   3HG2  ILE  37          3HG2      ILE  37  -0.929  -0.015   1.333
  311   1HD1  ILE  37          1HD1      ILE  37   1.643   2.427   3.995
  312   2HD1  ILE  37          2HD1      ILE  37   1.961   1.546   2.501
  313   3HD1  ILE  37          3HD1      ILE  37   2.918   1.212   3.943
  314    H    TYR  38           H        TYR  38  -3.384   1.400   4.351
  315    HA   TYR  38           HA       TYR  38  -4.633   1.928   1.803
  316   1HB   TYR  38          1HB       TYR  38  -5.418   0.295   3.467
  317   2HB   TYR  38          2HB       TYR  38  -5.710   1.598   4.619
  318    HD1  TYR  38           HD1      TYR  38  -7.913   2.299   4.820
  319    HD2  TYR  38           HD2      TYR  38  -6.493   0.855   1.019
  320    HE1  TYR  38           HE1      TYR  38 -10.180   2.661   3.842
  321    HE2  TYR  38           HE2      TYR  38  -8.757   1.213   0.029
  322    HH   TYR  38           HH       TYR  38 -11.520   1.770   1.922
  323    H    GLN  39           H        GLN  39  -4.331   3.771   4.838
  324    HA   GLN  39           HA       GLN  39  -6.113   5.916   3.994
  325   1HB   GLN  39          1HB       GLN  39  -5.028   4.989   6.341
  326   2HB   GLN  39          2HB       GLN  39  -4.056   6.432   6.054
  327   1HG   GLN  39          1HG       GLN  39  -5.781   7.565   6.993
  328   2HG   GLN  39          2HG       GLN  39  -6.605   7.307   5.456
  329   1HE2  GLN  39          1HE2      GLN  39  -8.555   6.175   5.576
  330   2HE2  GLN  39          2HE2      GLN  39  -9.034   5.208   6.886
  331    H    ARG  40           H        ARG  40  -2.597   5.384   3.956
  332    HA   ARG  40           HA       ARG  40  -1.924   8.073   3.102
  333   1HB   ARG  40          1HB       ARG  40  -0.473   5.411   2.903
  334   2HB   ARG  40          2HB       ARG  40   0.279   6.991   2.675
  335   1HG   ARG  40          1HG       ARG  40  -0.575   7.589   5.004
  336   2HG   ARG  40          2HG       ARG  40  -0.957   5.880   5.202
  337   1HD   ARG  40          1HD       ARG  40   1.372   5.258   4.889
  338   2HD   ARG  40          2HD       ARG  40   1.802   6.933   4.491
  339    HE   ARG  40           HE       ARG  40   1.392   5.909   7.164
  340   1HH1  ARG  40          1HH1      ARG  40   2.629   8.530   5.761
  341   2HH1  ARG  40          2HH1      ARG  40   1.849   9.724   6.742
  342   1HH2  ARG  40          1HH2      ARG  40  -0.385   7.485   8.161
  343   2HH2  ARG  40          2HH2      ARG  40   0.143   9.132   8.099
  344    H    VAL  41           H        VAL  41  -2.998   5.168   1.495
  345    HA   VAL  41           HA       VAL  41  -2.193   6.084  -1.196
  346    HB   VAL  41           HB       VAL  41  -3.548   3.705   0.073
  347   1HG1  VAL  41          1HG1      VAL  41  -3.334   4.221  -2.911
  348   2HG1  VAL  41          2HG1      VAL  41  -4.832   4.117  -1.986
  349   3HG1  VAL  41          3HG1      VAL  41  -3.810   2.693  -2.171
  350   1HG2  VAL  41          1HG2      VAL  41  -1.522   3.014  -1.779
  351   2HG2  VAL  41          2HG2      VAL  41  -1.422   2.967  -0.020
  352   3HG2  VAL  41          3HG2      VAL  41  -0.924   4.414  -0.893
  353    H    MET  42           H        MET  42  -5.007   6.034   0.891
  354    HA   MET  42           HA       MET  42  -6.983   6.644  -1.142
  355   1HB   MET  42          1HB       MET  42  -6.797   6.046   1.644
  356   2HB   MET  42          2HB       MET  42  -7.718   7.537   1.483
  357   1HG   MET  42          1HG       MET  42  -8.337   5.270  -0.369
  358   2HG   MET  42          2HG       MET  42  -8.916   5.178   1.293
  359   1HE   MET  42          1HE       MET  42 -12.040   6.084   0.855
  360   2HE   MET  42          2HE       MET  42 -10.900   4.805   0.468
  361   3HE   MET  42          3HE       MET  42 -11.720   5.656  -0.832
  362    H    GLU  43           H        GLU  43  -5.180   8.617   1.234
  363    HA   GLU  43           HA       GLU  43  -6.406  11.124   0.673
  364   1HB   GLU  43          1HB       GLU  43  -3.889  10.080   1.871
  365   2HB   GLU  43          2HB       GLU  43  -3.888  11.783   1.410
  366   1HG   GLU  43          1HG       GLU  43  -6.345  10.962   2.786
  367   2HG   GLU  43          2HG       GLU  43  -4.899  10.779   3.779
  368    H    SER  44           H        SER  44  -3.899   9.323  -1.026
  369    HA   SER  44           HA       SER  44  -2.843  11.452  -2.629
  370   1HB   SER  44          1HB       SER  44  -2.823   8.523  -2.473
  371   2HB   SER  44          2HB       SER  44  -2.694   9.116  -4.126
  372    HG   SER  44           HG       SER  44  -0.839  10.095  -3.648
  373    H    PHE  45           H        PHE  45  -5.396   9.035  -3.341
  374    HA   PHE  45           HA       PHE  45  -6.089  10.091  -5.920
  375   1HB   PHE  45          1HB       PHE  45  -7.518   8.426  -3.831
  376   2HB   PHE  45          2HB       PHE  45  -8.194   8.734  -5.429
  377    HD1  PHE  45           HD1      PHE  45  -6.628   6.269  -3.681
  378    HD2  PHE  45           HD2      PHE  45  -6.065   8.543  -7.308
  379    HE1  PHE  45           HE1      PHE  45  -5.262   4.413  -4.632
  380    HE2  PHE  45           HE2      PHE  45  -4.699   6.689  -8.257
  381    HZ   PHE  45           HZ       PHE  45  -4.301   4.622  -6.922
  382    H    LYS  46           H        LYS  46  -6.915  11.069  -2.667
  383    HA   LYS  46           HA       LYS  46  -9.341  12.517  -3.327
  384   1HB   LYS  46          1HB       LYS  46  -8.279  11.583  -1.076
  385   2HB   LYS  46          2HB       LYS  46  -7.573  13.197  -1.006
  386   1HG   LYS  46          1HG       LYS  46  -9.943  14.082  -1.441
  387   2HG   LYS  46          2HG       LYS  46 -10.500  12.449  -1.079
  388   1HD   LYS  46          1HD       LYS  46  -8.623  13.241   0.941
  389   2HD   LYS  46          2HD       LYS  46  -9.831  14.514   0.765
  390   1HE   LYS  46          1HE       LYS  46 -10.910  11.748   0.766
  391   2HE   LYS  46          2HE       LYS  46 -10.230  12.310   2.307
  392   1HZ   LYS  46          1HZ       LYS  46 -12.000  14.035   0.681
  393   2HZ   LYS  46          2HZ       LYS  46 -11.610  14.167   2.330
  394   3HZ   LYS  46          3HZ       LYS  46 -12.640  12.929   1.792
  395    H    LYS  47           H        LYS  47  -5.901  13.393  -3.074
  396    HA   LYS  47           HA       LYS  47  -6.130  16.214  -3.185
  397   1HB   LYS  47          1HB       LYS  47  -4.119  14.548  -2.904
  398   2HB   LYS  47          2HB       LYS  47  -4.000  14.684  -4.660
  399   1HG   LYS  47          1HG       LYS  47  -3.681  17.060  -4.539
  400   2HG   LYS  47          2HG       LYS  47  -4.096  17.090  -2.825
  401   1HD   LYS  47          1HD       LYS  47  -2.071  16.092  -2.187
  402   2HD   LYS  47          2HD       LYS  47  -1.783  15.427  -3.795
  403   1HE   LYS  47          1HE       LYS  47  -1.937  18.409  -3.524
  404   2HE   LYS  47          2HE       LYS  47  -0.458  17.588  -2.990
  405   1HZ   LYS  47          1HZ       LYS  47  -0.157  17.953  -5.277
  406   2HZ   LYS  47          2HZ       LYS  47  -1.745  17.484  -5.656
  407   3HZ   LYS  47          3HZ       LYS  47  -0.610  16.322  -5.160
  408    H    GLU  48           H        GLU  48  -5.621  13.960  -5.935
  409    HA   GLU  48           HA       GLU  48  -5.892  15.914  -7.994
  410   1HB   GLU  48          1HB       GLU  48  -6.402  12.928  -7.861
  411   2HB   GLU  48          2HB       GLU  48  -6.371  13.839  -9.371
  412   1HG   GLU  48          1HG       GLU  48  -4.069  14.572  -8.895
  413   2HG   GLU  48          2HG       GLU  48  -4.094  13.678  -7.375
  414    H    GLY  49           H        GLY  49  -8.310  13.812  -6.425
  415   1HA   GLY  49          1HA       GLY  49 -10.580  14.718  -6.071
  416   2HA   GLY  49          2HA       GLY  49 -10.420  15.553  -7.616
  417    H    ARG  50           H        ARG  50  -9.359  12.235  -7.158
  418    HA   ARG  50           HA       ARG  50 -11.100  11.348  -9.342
  419   1HB   ARG  50          1HB       ARG  50  -8.870  10.304  -7.662
  420   2HB   ARG  50          2HB       ARG  50  -9.927   9.110  -8.416
  421   1HG   ARG  50          1HG       ARG  50  -8.949  11.370 -10.108
  422   2HG   ARG  50          2HG       ARG  50  -7.806  10.089  -9.703
  423   1HD   ARG  50          1HD       ARG  50  -9.215   8.401 -10.693
  424   2HD   ARG  50          2HD       ARG  50 -10.550   9.553 -10.878
  425    HE   ARG  50           HE       ARG  50  -8.213   9.381 -12.611
  426   1HH1  ARG  50          1HH1      ARG  50 -11.250  10.467 -12.689
  427   2HH1  ARG  50          2HH1      ARG  50 -10.930  12.040 -13.335
  428   1HH2  ARG  50          1HH2      ARG  50  -7.507  11.828 -12.836
  429   2HH2  ARG  50          2HH2      ARG  50  -8.809  12.811 -13.419
  430    H    ILE  51           H        ILE  51 -10.840  10.773  -5.828
  431    HA   ILE  51           HA       ILE  51 -13.520   9.417  -5.930
  432    HB   ILE  51           HB       ILE  51 -12.720   8.360  -3.800
  433   1HG1  ILE  51          1HG1      ILE  51  -9.953   9.324  -4.390
  434   2HG1  ILE  51          2HG1      ILE  51 -11.040  10.436  -3.563
  435   1HG2  ILE  51          1HG2      ILE  51 -12.280   7.457  -6.189
  436   2HG2  ILE  51          2HG2      ILE  51 -11.320   6.782  -4.870
  437   3HG2  ILE  51          3HG2      ILE  51 -10.620   8.000  -5.936
  438   1HD1  ILE  51          1HD1      ILE  51 -10.450   9.360  -1.664
  439   2HD1  ILE  51          2HD1      ILE  51  -9.741   8.012  -2.554
  440   3HD1  ILE  51          3HD1      ILE  51 -11.470   8.044  -2.235
  441    H    GLY  52           H        GLY  52 -14.090   9.606  -3.191
  442   1HA   GLY  52          1HA       GLY  52 -14.120  11.432  -1.452
  443   2HA   GLY  52          2HA       GLY  52 -14.290  12.567  -2.794
  444    H    ALA  53           H        ALA  53 -15.920   9.537  -1.778
  445    HA   ALA  53           HA       ALA  53 -18.530  10.907  -2.350
  446   1HB   ALA  53          1HB       ALA  53 -19.290   8.485  -2.631
  447   2HB   ALA  53          2HB       ALA  53 -17.590   8.030  -2.497
  448   3HB   ALA  53          3HB       ALA  53 -18.130   9.052  -3.830
  449   1H    MET   1          1H        MET   1 -18.270 -15.106 -14.656
  450   2H    MET   1          2H        MET   1 -18.260 -16.501 -15.625
  451   3H    MET   1          3H        MET   1 -19.480 -15.342 -15.819
  452    HA   MET   1           HA       MET   1 -17.640 -15.315 -17.547
  453   1HB   MET   1          1HB       MET   1 -19.030 -13.251 -15.999
  454   2HB   MET   1          2HB       MET   1 -17.570 -12.637 -16.788
  455   1HG   MET   1          1HG       MET   1 -18.350 -13.166 -18.932
  456   2HG   MET   1          2HG       MET   1 -19.500 -14.358 -18.324
  457   1HE   MET   1          1HE       MET   1 -21.240 -12.308 -20.317
  458   2HE   MET   1          2HE       MET   1 -22.430 -12.753 -19.100
  459   3HE   MET   1          3HE       MET   1 -21.150 -13.884 -19.520
  460    H    LYS   2           H        LYS   2 -16.810 -13.348 -14.665
  461    HA   LYS   2           HA       LYS   2 -13.980 -13.346 -15.315
  462   1HB   LYS   2          1HB       LYS   2 -13.830 -12.162 -13.155
  463   2HB   LYS   2          2HB       LYS   2 -15.190 -11.551 -14.099
  464   1HG   LYS   2          1HG       LYS   2 -16.780 -12.775 -12.794
  465   2HG   LYS   2          2HG       LYS   2 -15.510 -13.740 -12.037
  466   1HD   LYS   2          1HD       LYS   2 -14.950 -10.950 -11.610
  467   2HD   LYS   2          2HD       LYS   2 -16.610 -11.296 -11.103
  468   1HE   LYS   2          1HE       LYS   2 -14.240 -13.004 -10.264
  469   2HE   LYS   2          2HE       LYS   2 -14.870 -11.662  -9.287
  470   1HZ   LYS   2          1HZ       LYS   2 -16.050 -13.569  -8.587
  471   2HZ   LYS   2          2HZ       LYS   2 -16.310 -14.094 -10.181
  472   3HZ   LYS   2          3HZ       LYS   2 -17.120 -12.720  -9.589
  473    H    GLY   3           H        GLY   3 -12.310 -14.532 -14.293
  474   1HA   GLY   3          1HA       GLY   3 -13.020 -16.512 -12.223
  475   2HA   GLY   3          2HA       GLY   3 -12.440 -17.170 -13.756
  476    H    MET   4           H        MET   4 -10.320 -16.131 -14.538
  477    HA   MET   4           HA       MET   4  -8.358 -16.368 -12.384
  478   1HB   MET   4          1HB       MET   4  -8.518 -16.398 -15.290
  479   2HB   MET   4          2HB       MET   4  -7.134 -15.454 -14.739
  480   1HG   MET   4          1HG       MET   4  -6.210 -17.280 -13.558
  481   2HG   MET   4          2HG       MET   4  -7.730 -18.174 -13.578
  482   1HE   MET   4          1HE       MET   4  -5.817 -19.668 -13.850
  483   2HE   MET   4          2HE       MET   4  -4.744 -19.793 -15.242
  484   3HE   MET   4          3HE       MET   4  -6.277 -20.661 -15.240
  485    H    SER   5           H        SER   5  -7.274 -14.685 -11.379
  486    HA   SER   5           HA       SER   5  -7.616 -11.919 -12.463
  487   1HB   SER   5          1HB       SER   5  -8.107 -12.842  -9.613
  488   2HB   SER   5          2HB       SER   5  -8.220 -11.179 -10.183
  489    HG   SER   5           HG       SER   5 -10.180 -12.688 -10.088
  490    H    LYS   6           H        LYS   6  -6.275 -10.515 -10.547
  491    HA   LYS   6           HA       LYS   6  -3.716 -11.910  -9.964
  492   1HB   LYS   6          1HB       LYS   6  -4.251 -10.070 -12.157
  493   2HB   LYS   6          2HB       LYS   6  -2.984  -9.448 -11.102
  494   1HG   LYS   6          1HG       LYS   6  -2.095 -11.941 -11.242
  495   2HG   LYS   6          2HG       LYS   6  -3.021 -11.950 -12.744
  496   1HD   LYS   6          1HD       LYS   6  -1.658 -10.393 -13.760
  497   2HD   LYS   6          2HD       LYS   6  -1.249  -9.603 -12.237
  498   1HE   LYS   6          1HE       LYS   6  -0.290 -12.356 -12.276
  499   2HE   LYS   6          2HE       LYS   6   0.376 -11.411 -13.622
  500   1HZ   LYS   6          1HZ       LYS   6   1.146  -9.759 -12.174
  501   2HZ   LYS   6          2HZ       LYS   6   1.563 -11.213 -11.400
  502   3HZ   LYS   6          3HZ       LYS   6   0.216 -10.324 -10.873
  503    H    MET   7           H        MET   7  -5.592 -11.056  -8.074
  504    HA   MET   7           HA       MET   7  -4.710  -8.393  -7.096
  505   1HB   MET   7          1HB       MET   7  -6.955 -10.308  -6.672
  506   2HB   MET   7          2HB       MET   7  -6.529  -9.275  -5.307
  507   1HG   MET   7          1HG       MET   7  -6.771  -7.279  -6.709
  508   2HG   MET   7          2HG       MET   7  -7.126  -8.287  -8.111
  509   1HE   MET   7          1HE       MET   7 -10.060  -6.278  -5.758
  510   2HE   MET   7          2HE       MET   7  -9.272  -5.988  -7.307
  511   3HE   MET   7          3HE       MET   7  -8.306  -6.061  -5.836
  512    HA   PRO   8           HA       PRO   8  -1.865 -10.420  -4.331
  513   1HB   PRO   8          1HB       PRO   8  -1.266  -8.261  -2.761
  514   2HB   PRO   8          2HB       PRO   8  -0.609  -8.478  -4.395
  515   1HG   PRO   8          1HG       PRO   8  -2.848  -6.756  -3.469
  516   2HG   PRO   8          2HG       PRO   8  -1.612  -6.439  -4.696
  517   1HD   PRO   8          1HD       PRO   8  -4.182  -7.178  -5.273
  518   2HD   PRO   8          2HD       PRO   8  -2.796  -7.493  -6.341
  519    H    GLN   9           H        GLN   9  -1.822 -11.066  -2.057
  520    HA   GLN   9           HA       GLN   9  -4.467 -11.229  -0.840
  521   1HB   GLN   9          1HB       GLN   9  -1.674 -12.053   0.010
  522   2HB   GLN   9          2HB       GLN   9  -3.138 -12.492   0.891
  523   1HG   GLN   9          1HG       GLN   9  -2.759 -13.106  -2.047
  524   2HG   GLN   9          2HG       GLN   9  -2.292 -14.232  -0.772
  525   1HE2  GLN   9          1HE2      GLN   9  -4.821 -13.550  -2.831
  526   2HE2  GLN   9          2HE2      GLN   9  -6.103 -14.180  -1.914
  527    H    PHE  10           H        PHE  10  -1.921  -8.927  -0.681
  528    HA   PHE  10           HA       PHE  10  -2.340  -8.100   2.090
  529   1HB   PHE  10          1HB       PHE  10  -0.201  -7.817   0.934
  530   2HB   PHE  10          2HB       PHE  10  -0.976  -6.833  -0.308
  531    HD1  PHE  10           HD1      PHE  10  -1.404  -4.502   0.029
  532    HD2  PHE  10           HD2      PHE  10  -0.138  -6.980   3.328
  533    HE1  PHE  10           HE1      PHE  10  -1.083  -2.468   1.433
  534    HE2  PHE  10           HE2      PHE  10   0.184  -4.947   4.732
  535    HZ   PHE  10           HZ       PHE  10  -0.287  -2.691   3.784
  536    H    LEU  11           H        LEU  11  -3.531  -7.097  -1.099
  537    HA   LEU  11           HA       LEU  11  -4.960  -4.773   0.039
  538   1HB   LEU  11          1HB       LEU  11  -4.853  -6.010  -2.732
  539   2HB   LEU  11          2HB       LEU  11  -5.584  -4.453  -2.346
  540    HG   LEU  11           HG       LEU  11  -2.691  -5.108  -1.740
  541   1HD1  LEU  11          1HD1      LEU  11  -2.122  -4.662  -3.876
  542   2HD1  LEU  11          2HD1      LEU  11  -3.132  -3.218  -3.905
  543   3HD1  LEU  11          3HD1      LEU  11  -3.833  -4.791  -4.284
  544   1HD2  LEU  11          1HD2      LEU  11  -4.461  -2.687  -1.593
  545   2HD2  LEU  11          2HD2      LEU  11  -2.744  -2.468  -1.928
  546   3HD2  LEU  11          3HD2      LEU  11  -3.257  -3.260  -0.438
  547    H    ASN  12           H        ASN  12  -5.606  -7.859   0.475
  548    HA   ASN  12           HA       ASN  12  -8.188  -8.351  -0.662
  549   1HB   ASN  12          1HB       ASN  12  -6.304  -9.664   0.880
  550   2HB   ASN  12          2HB       ASN  12  -7.644  -9.462   2.008
  551   1HD2  ASN  12          1HD2      ASN  12  -6.935 -10.650  -1.316
  552   2HD2  ASN  12          2HD2      ASN  12  -8.190 -11.794  -1.334
  553    H    ARG  13           H        ARG  13  -7.136  -6.488   2.127
  554    HA   ARG  13           HA       ARG  13  -9.818  -6.307   3.297
  555   1HB   ARG  13          1HB       ARG  13  -7.069  -5.214   3.819
  556   2HB   ARG  13          2HB       ARG  13  -8.454  -4.500   4.648
  557   1HG   ARG  13          1HG       ARG  13  -9.100  -6.739   5.483
  558   2HG   ARG  13          2HG       ARG  13  -7.692  -7.435   4.682
  559   1HD   ARG  13          1HD       ARG  13  -6.190  -6.061   6.064
  560   2HD   ARG  13          2HD       ARG  13  -7.592  -5.304   6.847
  561    HE   ARG  13           HE       ARG  13  -7.316  -8.273   6.929
  562   1HH1  ARG  13          1HH1      ARG  13  -9.457  -6.768   8.429
  563   2HH1  ARG  13          2HH1      ARG  13  -8.793  -6.708  10.027
  564   1HH2  ARG  13          1HH2      ARG  13  -5.579  -7.522   9.007
  565   2HH2  ARG  13          2HH2      ARG  13  -6.597  -7.135  10.355
  566    H    TRP  14           H        TRP  14  -7.901  -4.515   1.009
  567    HA   TRP  14           HA       TRP  14  -9.163  -1.960   1.187
  568   1HB   TRP  14          1HB       TRP  14  -7.751  -3.537  -0.967
  569   2HB   TRP  14          2HB       TRP  14  -8.319  -1.895  -1.236
  570    HD1  TRP  14           HD1      TRP  14  -6.858  -3.079   2.119
  571    HE1  TRP  14           HE1      TRP  14  -4.697  -1.749   2.577
  572    HE3  TRP  14           HE3      TRP  14  -6.464  -0.585  -2.289
  573    HZ2  TRP  14           HZ2      TRP  14  -3.000   0.151   1.225
  574    HZ3  TRP  14           HZ3      TRP  14  -4.566   0.986  -2.711
  575    HH2  TRP  14           HH2      TRP  14  -2.839   1.356  -0.951
  576    HA   PRO  15           HA       PRO  15 -13.150  -3.025  -0.383
  577   1HB   PRO  15          1HB       PRO  15 -13.960  -0.556  -1.254
  578   2HB   PRO  15          2HB       PRO  15 -13.930  -1.025   0.456
  579   1HG   PRO  15          1HG       PRO  15 -11.960   0.583  -1.103
  580   2HG   PRO  15          2HG       PRO  15 -12.550   0.821   0.549
  581   1HD   PRO  15          1HD       PRO  15 -10.140  -0.281  -0.002
  582   2HD   PRO  15          2HD       PRO  15 -11.090  -0.716   1.435
  583    H    ARG  16           H        ARG  16 -14.450  -2.673  -2.499
  584    HA   ARG  16           HA       ARG  16 -12.740  -3.359  -4.735
  585   1HB   ARG  16          1HB       ARG  16 -14.660  -4.534  -4.982
  586   2HB   ARG  16          2HB       ARG  16 -15.510  -3.504  -3.849
  587   1HG   ARG  16          1HG       ARG  16 -16.230  -2.032  -5.514
  588   2HG   ARG  16          2HG       ARG  16 -14.990  -2.558  -6.656
  589   1HD   ARG  16          1HD       ARG  16 -16.230  -4.348  -7.372
  590   2HD   ARG  16          2HD       ARG  16 -16.880  -4.669  -5.749
  591    HE   ARG  16           HE       ARG  16 -17.840  -2.419  -7.478
  592   1HH1  ARG  16          1HH1      ARG  16 -19.210  -5.198  -7.031
  593   2HH1  ARG  16          2HH1      ARG  16 -20.460  -4.734  -5.930
  594   1HH2  ARG  16          1HH2      ARG  16 -19.050  -1.650  -5.211
  595   2HH2  ARG  16          2HH2      ARG  16 -20.370  -2.724  -4.900
  596    H    GLU  17           H        GLU  17 -14.230  -0.451  -3.524
  597    HA   GLU  17           HA       GLU  17 -14.300   0.991  -6.037
  598   1HB   GLU  17          1HB       GLU  17 -14.580   1.566  -3.108
  599   2HB   GLU  17          2HB       GLU  17 -14.390   2.920  -4.222
  600   1HG   GLU  17          1HG       GLU  17 -16.570   2.763  -4.738
  601   2HG   GLU  17          2HG       GLU  17 -16.270   1.161  -5.409
  602    H    VAL  18           H        VAL  18 -12.060   0.979  -3.238
  603    HA   VAL  18           HA       VAL  18 -10.240   2.910  -4.362
  604    HB   VAL  18           HB       VAL  18  -9.936   0.739  -2.258
  605   1HG1  VAL  18          1HG1      VAL  18  -8.064   2.302  -1.472
  606   2HG1  VAL  18          2HG1      VAL  18  -8.168   3.063  -3.060
  607   3HG1  VAL  18          3HG1      VAL  18  -7.726   1.360  -2.924
  608   1HG2  VAL  18          1HG2      VAL  18 -11.670   2.398  -1.739
  609   2HG2  VAL  18          2HG2      VAL  18 -10.540   3.710  -2.091
  610   3HG2  VAL  18          3HG2      VAL  18 -10.260   2.659  -0.704
  611    H    LEU  19           H        LEU  19 -10.330  -0.647  -4.384
  612    HA   LEU  19           HA       LEU  19  -7.794  -1.054  -5.644
  613   1HB   LEU  19          1HB       LEU  19 -10.350  -2.598  -5.283
  614   2HB   LEU  19          2HB       LEU  19  -9.053  -3.269  -6.269
  615    HG   LEU  19           HG       LEU  19  -8.591  -2.242  -3.461
  616   1HD1  LEU  19          1HD1      LEU  19  -8.808  -5.162  -4.118
  617   2HD1  LEU  19          2HD1      LEU  19 -10.280  -4.244  -3.809
  618   3HD1  LEU  19          3HD1      LEU  19  -9.031  -4.348  -2.570
  619   1HD2  LEU  19          1HD2      LEU  19  -6.889  -3.047  -5.560
  620   2HD2  LEU  19          2HD2      LEU  19  -6.909  -4.398  -4.426
  621   3HD2  LEU  19          3HD2      LEU  19  -6.442  -2.789  -3.873
  622    H    ASP  20           H        ASP  20 -11.020  -0.375  -6.932
  623    HA   ASP  20           HA       ASP  20 -10.410  -1.051  -9.682
  624   1HB   ASP  20          1HB       ASP  20 -12.640  -0.523  -8.247
  625   2HB   ASP  20          2HB       ASP  20 -12.420   1.049  -9.014
  626    H    LEU  21           H        LEU  21  -9.793   1.720  -7.662
  627    HA   LEU  21           HA       LEU  21  -9.264   3.527  -9.933
  628   1HB   LEU  21          1HB       LEU  21 -10.300   4.330  -7.873
  629   2HB   LEU  21          2HB       LEU  21  -8.957   3.724  -6.918
  630    HG   LEU  21           HG       LEU  21  -7.448   5.267  -8.217
  631   1HD1  LEU  21          1HD1      LEU  21  -8.355   6.935  -9.638
  632   2HD1  LEU  21          2HD1      LEU  21 -10.000   6.629  -9.083
  633   3HD1  LEU  21          3HD1      LEU  21  -9.185   5.456 -10.119
  634   1HD2  LEU  21          1HD2      LEU  21  -9.762   6.420  -6.638
  635   2HD2  LEU  21          2HD2      LEU  21  -8.319   7.341  -7.063
  636   3HD2  LEU  21          3HD2      LEU  21  -8.188   5.928  -6.015
  637    H    VAL  22           H        VAL  22  -7.446   1.708  -7.480
  638    HA   VAL  22           HA       VAL  22  -4.840   2.744  -8.090
  639    HB   VAL  22           HB       VAL  22  -5.584  -0.018  -7.071
  640   1HG1  VAL  22          1HG1      VAL  22  -3.169   0.565  -7.614
  641   2HG1  VAL  22          2HG1      VAL  22  -3.466   0.060  -5.951
  642   3HG1  VAL  22          3HG1      VAL  22  -3.257   1.769  -6.329
  643   1HG2  VAL  22          1HG2      VAL  22  -6.313   2.517  -5.969
  644   2HG2  VAL  22          2HG2      VAL  22  -5.043   1.838  -4.950
  645   3HG2  VAL  22          3HG2      VAL  22  -6.522   0.921  -5.246
  646    H    ARG  23           H        ARG  23  -6.495  -0.261  -9.136
  647    HA   ARG  23           HA       ARG  23  -4.441  -1.237 -10.839
  648   1HB   ARG  23          1HB       ARG  23  -6.314  -2.552 -11.815
  649   2HB   ARG  23          2HB       ARG  23  -6.389  -2.519 -10.054
  650   1HG   ARG  23          1HG       ARG  23  -8.585  -1.985 -10.547
  651   2HG   ARG  23          2HG       ARG  23  -7.887  -0.367 -10.507
  652   1HD   ARG  23          1HD       ARG  23  -8.571  -0.080 -12.649
  653   2HD   ARG  23          2HD       ARG  23  -7.464  -1.378 -13.138
  654    HE   ARG  23           HE       ARG  23  -9.920  -2.389 -11.935
  655   1HH1  ARG  23          1HH1      ARG  23 -10.270  -0.455 -14.422
  656   2HH1  ARG  23          2HH1      ARG  23 -10.500  -1.645 -15.659
  657   1HH2  ARG  23          1HH2      ARG  23  -9.419  -4.288 -13.695
  658   2HH2  ARG  23          2HH2      ARG  23 -10.020  -3.813 -15.247
  659    H    LYS  24           H        LYS  24  -7.051   1.095 -11.459
  660    HA   LYS  24           HA       LYS  24  -6.588   1.257 -14.323
  661   1HB   LYS  24          1HB       LYS  24  -8.464   2.100 -12.423
  662   2HB   LYS  24          2HB       LYS  24  -7.763   3.599 -13.037
  663   1HG   LYS  24          1HG       LYS  24  -8.659   1.405 -14.904
  664   2HG   LYS  24          2HG       LYS  24  -9.784   2.629 -14.317
  665   1HD   LYS  24          1HD       LYS  24  -8.499   4.405 -15.290
  666   2HD   LYS  24          2HD       LYS  24  -7.151   3.321 -15.639
  667   1HE   LYS  24          1HE       LYS  24  -8.882   1.997 -17.080
  668   2HE   LYS  24          2HE       LYS  24  -9.828   3.499 -17.019
  669   1HZ   LYS  24          1HZ       LYS  24  -7.941   4.727 -17.814
  670   2HZ   LYS  24          2HZ       LYS  24  -8.244   3.450 -18.893
  671   3HZ   LYS  24          3HZ       LYS  24  -6.960   3.344 -17.784
  672    H    VAL  25           H        VAL  25  -5.188   2.746 -11.489
  673    HA   VAL  25           HA       VAL  25  -3.921   4.944 -12.990
  674    HB   VAL  25           HB       VAL  25  -3.748   3.922 -10.135
  675   1HG1  VAL  25          1HG1      VAL  25  -2.469   5.797  -9.567
  676   2HG1  VAL  25          2HG1      VAL  25  -2.914   6.670 -11.035
  677   3HG1  VAL  25          3HG1      VAL  25  -1.771   5.329 -11.117
  678   1HG2  VAL  25          1HG2      VAL  25  -5.004   6.519 -10.873
  679   2HG2  VAL  25          2HG2      VAL  25  -5.466   5.360  -9.627
  680   3HG2  VAL  25          3HG2      VAL  25  -5.886   5.058 -11.314
  681    H    ALA  26           H        ALA  26  -3.157   1.688 -12.030
  682    HA   ALA  26           HA       ALA  26  -0.248   2.030 -12.232
  683   1HB   ALA  26          1HB       ALA  26  -0.714  -0.639 -12.288
  684   2HB   ALA  26          2HB       ALA  26  -2.256  -0.084 -11.639
  685   3HB   ALA  26          3HB       ALA  26  -0.756   0.301 -10.797
  686    H    GLU  27           H        GLU  27  -2.928   1.010 -14.274
  687    HA   GLU  27           HA       GLU  27  -1.249  -0.084 -16.396
  688   1HB   GLU  27          1HB       GLU  27  -3.660  -0.667 -15.733
  689   2HB   GLU  27          2HB       GLU  27  -4.130   0.837 -16.528
  690   1HG   GLU  27          1HG       GLU  27  -2.526  -0.262 -18.435
  691   2HG   GLU  27          2HG       GLU  27  -3.212  -1.713 -17.708
  692    H    GLU  28           H        GLU  28  -2.393   3.085 -15.490
  693    HA   GLU  28           HA       GLU  28  -2.014   4.175 -18.223
  694   1HB   GLU  28          1HB       GLU  28  -2.870   6.227 -17.200
  695   2HB   GLU  28          2HB       GLU  28  -3.880   4.867 -16.709
  696   1HG   GLU  28          1HG       GLU  28  -2.785   4.745 -14.560
  697   2HG   GLU  28          2HG       GLU  28  -1.584   5.939 -15.048
  698    H    ASN  29           H        ASN  29  -0.364   4.091 -15.105
  699    HA   ASN  29           HA       ASN  29   1.648   6.083 -15.894
  700   1HB   ASN  29          1HB       ASN  29   0.656   4.836 -13.543
  701   2HB   ASN  29          2HB       ASN  29   2.370   4.434 -13.644
  702   1HD2  ASN  29          1HD2      ASN  29   0.083   7.047 -13.139
  703   2HD2  ASN  29          2HD2      ASN  29   1.237   8.253 -12.831
  704    H    GLY  30           H        GLY  30   1.170   3.052 -17.031
  705   1HA   GLY  30          1HA       GLY  30   2.581   1.524 -18.107
  706   2HA   GLY  30          2HA       GLY  30   3.856   2.736 -17.979
  707    H    ARG  31           H        ARG  31   2.230   1.682 -15.091
  708    HA   ARG  31           HA       ARG  31   4.612  -0.001 -14.381
  709   1HB   ARG  31          1HB       ARG  31   3.086   1.949 -12.625
  710   2HB   ARG  31          2HB       ARG  31   4.532   1.047 -12.170
  711   1HG   ARG  31          1HG       ARG  31   5.452   2.252 -14.403
  712   2HG   ARG  31          2HG       ARG  31   4.265   3.452 -13.890
  713   1HD   ARG  31          1HD       ARG  31   5.445   2.928 -11.500
  714   2HD   ARG  31          2HD       ARG  31   6.816   2.663 -12.593
  715    HE   ARG  31           HE       ARG  31   5.236   5.193 -12.427
  716   1HH1  ARG  31          1HH1      ARG  31   6.467   4.583 -15.125
  717   2HH1  ARG  31          2HH1      ARG  31   7.991   5.397 -15.002
  718   1HH2  ARG  31          1HH2      ARG  31   7.841   5.719 -11.554
  719   2HH2  ARG  31          2HH2      ARG  31   8.767   6.043 -12.981
  720    H    SER  32           H        SER  32   3.624  -0.634 -11.794
  721    HA   SER  32           HA       SER  32   1.230  -2.298 -12.474
  722   1HB   SER  32          1HB       SER  32   3.258  -2.855 -10.309
  723   2HB   SER  32          2HB       SER  32   2.203  -3.996 -11.139
  724    HG   SER  32           HG       SER  32   4.198  -4.217 -12.048
  725    H    VAL  33           H        VAL  33   0.172  -2.961 -10.175
  726    HA   VAL  33           HA       VAL  33  -0.756  -0.469  -9.002
  727    HB   VAL  33           HB       VAL  33  -1.229  -3.403  -8.408
  728   1HG1  VAL  33          1HG1      VAL  33  -3.439  -1.758  -7.720
  729   2HG1  VAL  33          2HG1      VAL  33  -2.008  -1.036  -6.987
  730   3HG1  VAL  33          3HG1      VAL  33  -2.425  -2.713  -6.639
  731   1HG2  VAL  33          1HG2      VAL  33  -2.577  -1.341 -10.168
  732   2HG2  VAL  33          2HG2      VAL  33  -3.394  -2.823  -9.663
  733   3HG2  VAL  33          3HG2      VAL  33  -1.925  -2.913 -10.638
  734    H    ASN  34           H        ASN  34   1.820  -2.656  -8.311
  735    HA   ASN  34           HA       ASN  34   1.933  -2.192  -5.421
  736   1HB   ASN  34          1HB       ASN  34   2.836  -4.210  -6.497
  737   2HB   ASN  34          2HB       ASN  34   3.924  -3.225  -7.475
  738   1HD2  ASN  34          1HD2      ASN  34   3.172  -3.984  -4.034
  739   2HD2  ASN  34          2HD2      ASN  34   4.756  -3.729  -3.478
  740    H    SER  35           H        SER  35   3.576  -0.920  -8.317
  741    HA   SER  35           HA       SER  35   5.315   0.887  -6.864
  742   1HB   SER  35          1HB       SER  35   5.549  -0.065  -9.230
  743   2HB   SER  35          2HB       SER  35   4.320   1.098  -9.720
  744    HG   SER  35           HG       SER  35   6.883   1.585  -8.611
  745    H    GLU  36           H        GLU  36   2.092   1.153  -8.353
  746    HA   GLU  36           HA       GLU  36   1.793   3.988  -8.115
  747   1HB   GLU  36          1HB       GLU  36   0.431   1.845  -9.155
  748   2HB   GLU  36          2HB       GLU  36  -0.570   2.248  -7.759
  749   1HG   GLU  36          1HG       GLU  36  -1.353   3.520  -9.665
  750   2HG   GLU  36          2HG       GLU  36  -0.585   4.623  -8.526
  751    H    ILE  37           H        ILE  37   0.702   1.312  -5.999
  752    HA   ILE  37           HA       ILE  37  -0.348   2.968  -3.908
  753    HB   ILE  37           HB       ILE  37   0.780   0.149  -4.002
  754   1HG1  ILE  37          1HG1      ILE  37  -1.193   0.598  -5.440
  755   2HG1  ILE  37          2HG1      ILE  37  -1.591  -0.497  -4.118
  756   1HG2  ILE  37          1HG2      ILE  37  -1.122   0.363  -1.935
  757   2HG2  ILE  37          2HG2      ILE  37  -0.051   1.752  -1.738
  758   3HG2  ILE  37          3HG2      ILE  37   0.616   0.121  -1.756
  759   1HD1  ILE  37          1HD1      ILE  37  -2.186   2.470  -4.272
  760   2HD1  ILE  37          2HD1      ILE  37  -2.410   1.501  -2.817
  761   3HD1  ILE  37          3HD1      ILE  37  -3.354   1.148  -4.262
  762    H    TYR  38           H        TYR  38   2.901   1.901  -4.712
  763    HA   TYR  38           HA       TYR  38   4.126   2.440  -2.155
  764   1HB   TYR  38          1HB       TYR  38   5.034   0.950  -3.892
  765   2HB   TYR  38          2HB       TYR  38   5.204   2.322  -4.990
  766    HD1  TYR  38           HD1      TYR  38   7.332   3.227  -5.166
  767    HD2  TYR  38           HD2      TYR  38   6.077   1.495  -1.427
  768    HE1  TYR  38           HE1      TYR  38   9.564   3.751  -4.180
  769    HE2  TYR  38           HE2      TYR  38   8.307   2.014  -0.431
  770    HH   TYR  38           HH       TYR  38  10.993   2.905  -2.303
  771    H    GLN  39           H        GLN  39   3.631   4.372  -5.110
  772    HA   GLN  39           HA       GLN  39   5.223   6.630  -4.185
  773   1HB   GLN  39          1HB       GLN  39   4.200   5.710  -6.565
  774   2HB   GLN  39          2HB       GLN  39   3.111   7.051  -6.208
  775   1HG   GLN  39          1HG       GLN  39   4.719   8.369  -7.108
  776   2HG   GLN  39          2HG       GLN  39   5.580   8.117  -5.589
  777   1HE2  GLN  39          1HE2      GLN  39   7.621   7.171  -5.776
  778   2HE2  GLN  39          2HE2      GLN  39   8.169   6.306  -7.130
  779    H    ARG  40           H        ARG  40   1.768   5.784  -4.149
  780    HA   ARG  40           HA       ARG  40   0.867   8.364  -3.177
  781   1HB   ARG  40          1HB       ARG  40  -0.339   5.576  -3.085
  782   2HB   ARG  40          2HB       ARG  40  -1.227   7.069  -2.780
  783   1HG   ARG  40          1HG       ARG  40  -0.462   7.845  -5.087
  784   2HG   ARG  40          2HG       ARG  40   0.075   6.188  -5.365
  785   1HD   ARG  40          1HD       ARG  40  -2.185   5.339  -5.052
  786   2HD   ARG  40          2HD       ARG  40  -2.762   6.951  -4.587
  787    HE   ARG  40           HE       ARG  40  -2.292   6.072  -7.300
  788   1HH1  ARG  40          1HH1      ARG  40  -3.775   8.501  -5.819
  789   2HH1  ARG  40          2HH1      ARG  40  -3.107   9.805  -6.742
  790   1HH2  ARG  40          1HH2      ARG  40  -0.646   7.851  -8.212
  791   2HH2  ARG  40          2HH2      ARG  40  -1.334   9.436  -8.099
  792    H    VAL  41           H        VAL  41   2.219   5.507  -1.703
  793    HA   VAL  41           HA       VAL  41   1.359   6.230   1.028
  794    HB   VAL  41           HB       VAL  41   2.898   4.033  -0.352
  795   1HG1  VAL  41          1HG1      VAL  41   2.671   4.383   2.656
  796   2HG1  VAL  41          2HG1      VAL  41   4.163   4.476   1.720
  797   3HG1  VAL  41          3HG1      VAL  41   3.288   2.949   1.834
  798   1HG2  VAL  41          1HG2      VAL  41   0.959   3.089   1.482
  799   2HG2  VAL  41          2HG2      VAL  41   0.843   3.117  -0.276
  800   3HG2  VAL  41          3HG2      VAL  41   0.236   4.475   0.668
  801    H    MET  42           H        MET  42   4.142   6.523  -1.080
  802    HA   MET  42           HA       MET  42   6.079   7.215   0.965
  803   1HB   MET  42          1HB       MET  42   5.919   6.720  -1.843
  804   2HB   MET  42          2HB       MET  42   6.705   8.279  -1.624
  805   1HG   MET  42          1HG       MET  42   7.547   6.010   0.132
  806   2HG   MET  42          2HG       MET  42   8.107   6.026  -1.539
  807   1HE   MET  42          1HE       MET  42  11.160   7.191  -1.084
  808   2HE   MET  42          2HE       MET  42  10.130   5.802  -0.748
  809   3HE   MET  42          3HE       MET  42  10.886   6.673   0.584
  810    H    GLU  43           H        GLU  43   4.091   9.121  -1.316
  811    HA   GLU  43           HA       GLU  43   5.086  11.701  -0.655
  812   1HB   GLU  43          1HB       GLU  43   2.657  10.485  -1.874
  813   2HB   GLU  43          2HB       GLU  43   2.511  12.161  -1.344
  814   1HG   GLU  43          1HG       GLU  43   5.014  11.620  -2.776
  815   2HG   GLU  43          2HG       GLU  43   3.575  11.347  -3.760
  816    H    SER  44           H        SER  44   2.764   9.614   0.976
  817    HA   SER  44           HA       SER  44   1.539  11.565   2.678
  818   1HB   SER  44          1HB       SER  44   1.787   8.657   2.398
  819   2HB   SER  44          2HB       SER  44   1.624   9.164   4.077
  820    HG   SER  44           HG       SER  44  -0.314  10.009   3.648
  821    H    PHE  45           H        PHE  45   4.306   9.363   3.276
  822    HA   PHE  45           HA       PHE  45   4.929  10.370   5.889
  823   1HB   PHE  45          1HB       PHE  45   6.485   8.933   3.724
  824   2HB   PHE  45          2HB       PHE  45   7.143   9.231   5.331
  825    HD1  PHE  45           HD1      PHE  45   5.798   6.712   3.482
  826    HD2  PHE  45           HD2      PHE  45   5.056   8.761   7.210
  827    HE1  PHE  45           HE1      PHE  45   4.617   4.699   4.354
  828    HE2  PHE  45           HE2      PHE  45   3.874   6.748   8.079
  829    HZ   PHE  45           HZ       PHE  45   3.660   4.715   6.654
  830    H    LYS  46           H        LYS  46   5.636  11.554   2.676
  831    HA   LYS  46           HA       LYS  46   7.929  13.187   3.386
  832   1HB   LYS  46          1HB       LYS  46   6.932  12.256   1.104
  833   2HB   LYS  46          2HB       LYS  46   6.081  13.801   1.107
  834   1HG   LYS  46          1HG       LYS  46   8.363  14.882   1.557
  835   2HG   LYS  46          2HG       LYS  46   9.066  13.322   1.131
  836   1HD   LYS  46          1HD       LYS  46   7.105  14.009  -0.846
  837   2HD   LYS  46          2HD       LYS  46   8.191  15.381  -0.631
  838   1HE   LYS  46          1HE       LYS  46   9.524  12.730  -0.741
  839   2HE   LYS  46          2HE       LYS  46   8.780  13.281  -2.256
  840   1HZ   LYS  46          1HZ       LYS  46  10.406  15.097  -0.577
  841   2HZ   LYS  46          2HZ       LYS  46   9.977  15.268  -2.212
  842   3HZ   LYS  46          3HZ       LYS  46  11.127  14.105  -1.750
  843    H    LYS  47           H        LYS  47   4.422  13.766   3.184
  844    HA   LYS  47           HA       LYS  47   4.400  16.586   3.421
  845   1HB   LYS  47          1HB       LYS  47   2.545  14.760   3.077
  846   2HB   LYS  47          2HB       LYS  47   2.430  14.805   4.837
  847   1HG   LYS  47          1HG       LYS  47   1.897  17.146   4.828
  848   2HG   LYS  47          2HG       LYS  47   2.287  17.290   3.113
  849   1HD   LYS  47          1HD       LYS  47   0.355  16.135   2.445
  850   2HD   LYS  47          2HD       LYS  47   0.145  15.381   4.027
  851   1HE   LYS  47          1HE       LYS  47   0.024  18.375   3.874
  852   2HE   LYS  47          2HE       LYS  47  -1.381  17.441   3.323
  853   1HZ   LYS  47          1HZ       LYS  47  -1.680  17.691   5.627
  854   2HZ   LYS  47          2HZ       LYS  47  -0.051  17.353   5.969
  855   3HZ   LYS  47          3HZ       LYS  47  -1.086  16.114   5.438
  856    H    GLU  48           H        GLU  48   4.128  14.177   6.072
  857    HA   GLU  48           HA       GLU  48   4.237  16.060   8.213
  858   1HB   GLU  48          1HB       GLU  48   5.006  13.140   7.948
  859   2HB   GLU  48          2HB       GLU  48   4.911  13.980   9.497
  860   1HG   GLU  48          1HG       GLU  48   2.549  14.528   9.067
  861   2HG   GLU  48          2HG       GLU  48   2.638  13.705   7.510
  862    H    GLY  49           H        GLY  49   6.822  14.253   6.546
  863   1HA   GLY  49          1HA       GLY  49   9.001  15.382   6.223
  864   2HA   GLY  49          2HA       GLY  49   8.781  16.126   7.807
  865    H    ARG  50           H        ARG  50   8.011  12.751   7.204
  866    HA   ARG  50           HA       ARG  50   9.851  11.926   9.333
  867   1HB   ARG  50          1HB       ARG  50   7.698  10.768   7.621
  868   2HB   ARG  50          2HB       ARG  50   8.860   9.638   8.318
  869   1HG   ARG  50          1HG       ARG  50   7.706  11.732  10.111
  870   2HG   ARG  50          2HG       ARG  50   6.676  10.373   9.660
  871   1HD   ARG  50          1HD       ARG  50   8.239   8.778  10.570
  872   2HD   ARG  50          2HD       ARG  50   9.473  10.033  10.795
  873    HE   ARG  50           HE       ARG  50   7.173   9.585  12.533
  874   1HH1  ARG  50          1HH1      ARG  50  10.114  10.926  12.642
  875   2HH1  ARG  50          2HH1      ARG  50   9.658  12.438  13.357
  876   1HH2  ARG  50          1HH2      ARG  50   6.260  11.949  12.865
  877   2HH2  ARG  50          2HH2      ARG  50   7.476  13.016  13.484
  878    H    ILE  51           H        ILE  51   9.605  11.481   5.801
  879    HA   ILE  51           HA       ILE  51  12.388  10.362   5.825
  880    HB   ILE  51           HB       ILE  51  11.662   9.329   3.658
  881   1HG1  ILE  51          1HG1      ILE  51   8.827  10.007   4.311
  882   2HG1  ILE  51          2HG1      ILE  51   9.802  11.253   3.533
  883   1HG2  ILE  51          1HG2      ILE  51  11.333   8.296   6.016
  884   2HG2  ILE  51          2HG2      ILE  51  10.442   7.583   4.671
  885   3HG2  ILE  51          3HG2      ILE  51   9.627   8.679   5.787
  886   1HD1  ILE  51          1HD1      ILE  51   9.291  10.220   1.586
  887   2HD1  ILE  51          2HD1      ILE  51   8.716   8.772   2.414
  888   3HD1  ILE  51          3HD1      ILE  51  10.436   8.977   2.088
  889    H    GLY  52           H        GLY  52  12.920  10.715   3.093
  890   1HA   GLY  52          1HA       GLY  52  12.772  12.606   1.432
  891   2HA   GLY  52          2HA       GLY  52  12.849  13.695   2.818
  892    H    ALA  53           H        ALA  53  14.735  10.872   1.664
  893    HA   ALA  53           HA       ALA  53  17.217  12.441   2.283
  894   1HB   ALA  53          1HB       ALA  53  18.189  10.083   2.454
  895   2HB   ALA  53          2HB       ALA  53  16.534   9.489   2.314
  896   3HB   ALA  53          3HB       ALA  53  16.996  10.501   3.683