*HEADER    SPLICING                                02-NOV-10   2L5J              
*TITLE     STRUCTURE OF THE SPLICEOSOMAL PHOSPHOPEPTIDE P140 (PHOSPHORYLATED     
*TITLE    2 FORM)                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN 70 KDA;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 131-151;                                      
*COMPND   5 SYNONYM: U1 SNRNP 70 KDA, U1-70K, SNRNP70;                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    PHOSPHORYLATION, HSC70, LUPUS, SPLICING                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    8                                                                     
*AUTHOR    M.QUINTERNET, N.PAGE, N.SCHALL, J.STRUB, O.CHALOIN, M.DECOSSAS,       
*AUTHOR   2 M.CUNG, A.VAN DORSSELAER, J.BRIAND, S.MULLER                         
*REVDAT   1   01-DEC-10 2L5J    0                                                


#
#   CONTRAINTES HAi;NHi+1
#
#
  restraint create     1 distance *:1B:HA  *:2:HN  
  restraint function     1 flatBottomed 200 200 1000
  restraint target     1 1.50 3.50
#
  restraint create     2 distance *:2:HA  *:3:HN  
  restraint function     2 flatBottomed 200 200 1000
  restraint target     2 1.50 3.50

  restraint create     3 distance *:3:HA  *:4:HN  
  restraint function     3 flatBottomed 200 200 1000
  restraint target     3 1.50 3.50

  restraint create     4 distance *:4:HA  *:5:HN  
  restraint function     4 flatBottomed 200 200 1000
  restraint target     4 1.50 3.50

  restraint create     5 distance *:5:HA  *:6:HN  
  restraint function     5 flatBottomed 200 200 1000
  restraint target     5 1.50 2.50

  restraint create     6 distance *:6:HA  *:7:HN  
  restraint function     6 flatBottomed 200 200 1000
  restraint target     6 1.50 2.50

  restraint create     7 distance *:9:HA  *:10:HN  
  restraint function     7 flatBottomed 200 200 1000
  restraint target     7 1.50 2.50

  restraint create     8 distance *:10:HA  *:11:HN  
  restraint function     8 flatBottomed 200 200 1000
  restraint target     8 1.50 3.50

  restraint create     9 distance *:11:QA  *:12:HN  
  restraint function     9 flatBottomed 200 200 1000
  restraint target     9 1.50 3.50

  restraint create     10 distance *:13:HA  *:14:HN  
  restraint function     10 flatBottomed 200 200 1000
  restraint target     10 1.50 2.50

  restraint create     11 distance *:14:HA  *:15:HN  
  restraint function     11 flatBottomed 200 200 1000
  restraint target     11 1.50 2.50

  restraint create     12 distance *:15:QA  *:16:HN  
  restraint function     12 flatBottomed 200 200 1000
  restraint target     12 1.50 3.50

  restraint create     13 distance *:16:HA  *:17:HN  
  restraint function     13 flatBottomed 200 200 1000
  restraint target     13 1.50 2.50

  restraint create     14 distance *:17:HA  *:18:HN  
  restraint function     14 flatBottomed 200 200 1000
  restraint target     14 1.50 2.50

  restraint create     15 distance *:19:HA  *:20:HN  
  restraint function     15 flatBottomed 200 200 1000
  restraint target     15 1.50 2.50

  restraint create     16 distance *:20:HA  *:21:HN  
  restraint function     16 flatBottomed 200 200 1000
  restraint target     16 1.50 3.50



#
# contrainte NH(i) / NH(i+1)
#
#

  restraint create     17 distance *:9:HN  *:10:HN  
  restraint function     17 flatBottomed 200 200 1000
  restraint target     17 1.50 2.50

  restraint create     18 distance *:10:HN  *:11:HN  
  restraint function     18 flatBottomed 200 200 1000
  restraint target     18 1.50 2.50

  restraint create     19 distance *:11:HN  *:12:HN  
  restraint function     19 flatBottomed 200 200 1000
  restraint target     19 1.50 2.50

  restraint create     20 distance *:15:HN  *:16:HN  
  restraint function     20 flatBottomed 200 200 1000
  restraint target     20 1.50 2.50

  restraint create     21 distance *:16:HN  *:17:HN  
  restraint function     21 flatBottomed 200 200 1000
  restraint target     21 1.50 3.50

  restraint create     22 distance *:19:HN  *:20:HN  
  restraint function     22 flatBottomed 200 200 1000
  restraint target     22 1.50 5.50

  restraint create     23 distance *:20:HN  *:21:HN  
  restraint function     23 flatBottomed 200 200 1000
  restraint target     23 1.50 2.50

#
# Contraintes NHi / NHi+2
#

  restraint create     24 distance *:10:HN  *:12:HN  
  restraint function     24 flatBottomed 200 200 1000
  restraint target     24 1.50 5.50

#
# Contraintes HBi / NHi+1
#


  restraint create     25 distance *:2:HB  *:3:HN  
  restraint function     25 flatBottomed 200 200 1000
  restraint target     25 1.50 2.50

  restraint create     26 distance *:3:HB1  *:4:HN  
  restraint function     26 flatBottomed 200 200 1000
  restraint target     26 1.50 3.50

  restraint create     27 distance *:3:HB2  *:4:HN  
  restraint function     27 flatBottomed 200 200 1000
  restraint target     27 1.50 3.50

  restraint create     28 distance *:4:QB  *:5:HN  
  restraint function     28 flatBottomed 200 200 1000
  restraint target     28 1.50 5.50

  restraint create     29 distance *:5:HB  *:6:HN  
  restraint function     29 flatBottomed 200 200 1000
  restraint target     29 1.50 2.50

  restraint create     30 distance *:6:HB1  *:7:HN  
  restraint function     30 flatBottomed 200 200 1000
  restraint target     30 1.50 2.50

  restraint create     31 distance *:6:HB2  *:7:HN  
  restraint function     31 flatBottomed 200 200 1000
  restraint target     31 1.50 2.50

  restraint create     32 distance *:9:HB1  *:10:HN  
  restraint function     32 flatBottomed 200 200 1000
  restraint target     32 1.50 2.50

  restraint create     33 distance *:9:HB2  *:10:HN  
  restraint function     33 flatBottomed 200 200 1000
  restraint target     33 1.50 2.50

  restraint create     34 distance *:10:HB1  *:11:HN  
  restraint function     34 flatBottomed 200 200 1000
  restraint target     34 1.50 5.50

  restraint create     35 distance *:10:HB2  *:11:HN  
  restraint function     35 flatBottomed 200 200 1000
  restraint target     35 1.50 5.50

  restraint create     36 distance *:13:QB  *:14:HN  
  restraint function     36 flatBottomed 200 200 1000
  restraint target     36 1.50 5.50

  restraint create     37 distance *:14:HB1  *:15:HN  
  restraint function     37 flatBottomed 200 200 1000
  restraint target     37 1.50 3.50

  restraint create     38 distance *:14:HB2  *:15:HN  
  restraint function     38 flatBottomed 200 200 1000
  restraint target     38 1.50 3.50


  restraint create     39 distance *:16:HB1  *:17:HN  
  restraint function     39 flatBottomed 200 200 1000
  restraint target     39 1.50 2.50


  restraint create     40 distance *:16:HB2  *:17:HN  
  restraint function     40 flatBottomed 200 200 1000
  restraint target     40 1.50 2.50


  restraint create     41 distance *:17:QB  *:18:HN  
  restraint function     41 flatBottomed 200 200 1000
  restraint target     41 1.50 5.50


  restraint create     42 distance *:19:HB  *:20:HN  
  restraint function     42 flatBottomed 200 200 1000
  restraint target     42 1.50 2.50

  restraint create     43 distance *:20:HB1  *:21:HN  
  restraint function     43 flatBottomed 200 200 1000
  restraint target     43 1.50 2.50

  restraint create     44 distance *:20:HB2  *:21:HN  
  restraint function     44 flatBottomed 200 200 1000
  restraint target     44 1.50 2.50

#
# Contraintes HGi / NH i+1
#


  restraint create     45 distance *:2:HG11  *:3:HN  
  restraint function     45 flatBottomed 200 200 1000
  restraint target     45 1.50 5.50

  restraint create     46 distance *:2:HG12  *:3:HN  
  restraint function     46 flatBottomed 200 200 1000
  restraint target     46 1.50 5.50

  restraint create     47 distance *:2:QG2  *:3:HN  
  restraint function     47 flatBottomed 200 200 1000
  restraint target     47 1.50 5.50

  restraint create     48 distance *:4:QG  *:5:HN  
  restraint function     48 flatBottomed 200 200 1000
  restraint target     48 1.50 5.50

  restraint create     49 distance *:5:QQG  *:6:HN  
  restraint function     49 flatBottomed 200 200 1000
  restraint target     49 1.50 5.50

  restraint create     50 distance *:9:QG  *:10:HN  
  restraint function     50 flatBottomed 200 200 1000
  restraint target     50 1.50 5.50

  restraint create     51 distance *:13:HG1  *:14:HN  
  restraint function     51 flatBottomed 200 200 1000
  restraint target     51 1.50 3.50

  restraint create     52 distance *:13:HG2  *:14:HN  
  restraint function     52 flatBottomed 200 200 1000
  restraint target     52 1.50 3.50

  restraint create     53 distance *:14:HG1  *:15:HN  
  restraint function     53 flatBottomed 200 200 1000
  restraint target     53 1.50 3.50

  restraint create     53 distance *:14:HG2  *:15:HN  
  restraint function     53 flatBottomed 200 200 1000
  restraint target     53 1.50 3.50

  restraint create     54 distance *:19:QG1  *:20:HN  
  restraint function     54 flatBottomed 200 200 1000
  restraint target     54 1.50 5.50

  restraint create     55 distance *:19:QG2  *:20:HN  
  restraint function     55 flatBottomed 200 200 1000
  restraint target     55 1.50 5.50

  restraint create     56 distance *:20:QG  *:21:HN  
  restraint function     56 flatBottomed 200 200 1000
  restraint target     56 1.50 5.50

#
# Contraintes HDi / NH i+1
#


  restraint create     57 distance *:9:QD  *:10:HN  
  restraint function     57 flatBottomed 200 200 1000
  restraint target     57 1.50 5.50

#  restraint create     58 distance *:12:HD1  *:13:HN  
#  restraint function     58 flatBottomed 200 200 1000
#  restraint target     58 1.50 5.50
#
#  restraint create     59 distance *:12:HD2  *:13:HN  
#  restraint function     59 flatBottomed 200 200 1000
#  restraint target     59 1.50 5.50

  restraint create     60 distance *:13:HD1  *:14:HN  
  restraint function     60 flatBottomed 200 200 1000
  restraint target     60 1.50 5.50

  restraint create     61 distance *:13:HD2  *:14:HN  
  restraint function     61 flatBottomed 200 200 1000
  restraint target     61 1.50 5.50

  restraint create     62 distance *:19:QD  *:20:HN  
  restraint function     62 flatBottomed 200 200 1000
  restraint target     62 1.50 5.50

#
# Contraintes HG i / NH i+2
#


  restraint create     63 distance *:2:QG2  *:4:HN  
  restraint function     63 flatBottomed 200 200 1000
  restraint target     63 1.50 6.00

  restraint create     64 distance *:5:QQG  *:7:HN  
  restraint function     64 flatBottomed 200 200 1000
  restraint target     64 1.50 5.50



#
# Contraintes HD i / NH i+2
#

  restraint create     65 distance *:19:QD  *:21:HN  
  restraint function     65 flatBottomed 200 200 1000
  restraint target     65 1.50 5.50


#
# Contraintes HA i / NH i+3
#

  restraint create     66 distance *:8:HA  *:11:HN  
  restraint function     66 flatBottomed 200 200 1000
  restraint target     66 1.50 5.50

  restraint create     67 distance *:12:HA  *:15:HN  
  restraint function     67 flatBottomed 200 200 1000
  restraint target     67 1.50 3.50

#
# Contraintes  longues distance
#

  restraint create     68 distance *:3:HN  *:18:HN  
  restraint function     68 flatBottomed 200 200 1000
  restraint target     68 1.50 3.50

  restraint create     69 distance *:3:HN  *:19:HN  
  restraint function     69 flatBottomed 200 200 1000
  restraint target     69 1.50 3.50

  restraint create     70 distance *:3:HN  *:19:QG2  
  restraint function     70 flatBottomed 200 200 1000
  restraint target     70 1.50 6.00

#  restraint create     71 distance *:5:QQG  *:17:HN  
#  restraint function     71 flatBottomed 200 200 1000
#  restraint target     71 1.50 7.00
#
#  restraint create     72 distance *:5:HB  *:17:HN  
#  restraint function     72 flatBottomed 200 200 1000
#  restraint target     72 1.50 3.50


#
# Contraintes HA i / NH i+2
#


  restraint create     73 distance *:4:HA  *:6:HN  
  restraint function     73 flatBottomed 200 200 1000
  restraint target     73 1.50 5.50









#
  restraint create  6001 torsion \
   *:7:C  *:8:N  *:8:CA *:8:C 
  restraint function  6001 flatBottomed 100 100 1000
  restraint target  6001 -90.0  -30.0
#
  restraint create  6002 torsion \
   *:8:N  *:8:CA *:8:C  *:9:N 
  restraint function  6002 flatBottomed 100 100 1000
  restraint target  6002  -60.0  0.0
#
  restraint create  6003 torsion \
   *:8:C  *:9:N  *:9:CA *:9:C 
  restraint function  6003 flatBottomed 100 100 1000
  restraint target  6003  -90.0  -30.0
#
  restraint create  6004 torsion \
   *:9:N  *:9:CA *:9:C  *:10:N 
  restraint function  6004 flatBottomed 100 100 1000
  restraint target  6004  -60.0  0.0
#
  restraint create  6005 torsion \
   *:9:C  *:10:N  *:10:CA *:10:C 
  restraint function  6005 flatBottomed 100 100 1000
  restraint target  6005  -90.0  -30.0
#
  restraint create  6006 torsion \
   *:10:N  *:10:CA *:10:C  *:11:N 
  restraint function  6006 flatBottomed 100 100 1000
  restraint target  6006  -60.0  0.0
#
  restraint create  6007 torsion \
   *:10:C  *:11:N  *:11:CA *:11:C 
  restraint function  6007 flatBottomed 100 100 1000
  restraint target  6007  -90.0  -30.0
#
  restraint create  6008 torsion \
   *:11:N  *:11:CA *:11:C  *:12:N 
  restraint function  6008 flatBottomed 100 100 1000
  restraint target  6008  -60.0  0.0
#
  restraint create  6009 torsion \
   *:13:C  *:14:N  *:14:CA *:14:C 
  restraint function  6009 flatBottomed 100 100 1000
  restraint target  6009  -90.0  -30.0
#
  restraint create  6010 torsion \
   *:14:N  *:14:CA *:14:C  *:15:N 
  restraint function  6010 flatBottomed 100 100 1000
  restraint target  6010  -60.0  0.0
#
  restraint create  6011 torsion \
   *:14:C  *:15:N  *:15:CA *:15:C 
  restraint function  6011 flatBottomed 100 100 1000
  restraint target  6011  -90.0  -30.0
#
  restraint create  6012 torsion \
   *:15:N  *:15:CA *:15:C  *:16:N 
  restraint function  6012 flatBottomed 100 100 1000
  restraint target  6012  -60.0  0.0
#
  restraint create  6013 torsion \
   *:15:C  *:16:N  *:16:CA *:16:C 
  restraint function  6013 flatBottomed 100 100 1000
  restraint target  6013  -90.0  -30.0
#
  restraint create  6014 torsion \
   *:16:N  *:16:CA *:16:C  *:17:N 
  restraint function  6014 flatBottomed 100 100 1000
  restraint target  6012  -60.0  0.0
#
  restraint create  6015 torsion \
   *:18:C  *:19:N  *:19:CA *:19:C 
  restraint function  6015 flatBottomed 100 100 1000
  restraint target  6015  -90.0  -30.0
#
  restraint create  6016 torsion \
   *:19:N  *:19:CA *:19:C  *:20:N 
  restraint function  6016 flatBottomed 100 100 1000
  restraint target  6016  -60.0  0.0
#
  restraint create  6017 torsion \
   *:19:C  *:20:N  *:20:CA *:20:C 
  restraint function  6017 flatBottomed 100 100 1000
  restraint target  6017  -90.0  -30.0
#
  restraint create  6018 torsion \
   *:20:N  *:20:CA *:20:C  *:21:N 
  restraint function  6018 flatBottomed 100 100 1000
  restraint target  6018  -60.0  0.0
#
#contraintes sur PHI (bloque)
#
  restraint create  615 torsion \
   *:1B:C  *:2:N  *:2:CA *:2:C 
  restraint function  615 flatBottomed 100 100 1000
  restraint target  615  -175.0  -50.0
#
  restraint create  616 torsion \
   *:2:C  *:3:N  *:3:CA *:3:C 
  restraint function  616 flatBottomed 100 100 1000
  restraint target  616  -175.0  -60.0
#
  restraint create  617 torsion \
   *:3:C  *:4:N  *:4:CA *:4:C 
  restraint function  617 flatBottomed 100 100 1000
  restraint target  617  -175.0  -50.0
#
  restraint create  618 torsion \
   *:4:C  *:5:N  *:5:CA *:5:C 
  restraint function  618 flatBottomed 100 100 1000
  restraint target  618  -175.0  -60.0
#
  restraint create  619 torsion \
   *:5:C  *:6:N  *:6:CA *:6:C 
  restraint function  619 flatBottomed 100 100 1000
  restraint target  619  -175.0  -55.0
#
  restraint create  620 torsion \
   *:6:C  *:7:N  *:7:CA *:7:C 
  restraint function  620 flatBottomed 100 100 1000
  restraint target  620  -175.0  -50.0
#
  restraint create  621 torsion \
   *:7:C  *:8:N  *:8:CA *:8:C 
  restraint function  621 flatBottomed 100 100 1000
  restraint target  621  -175.0  -05.0
#
  restraint create  622 torsion \
   *:8:C  *:9:N  *:9:CA *:9:C 
  restraint function  622 flatBottomed 100 100 1000
  restraint target  622  -175.0  -05.0
#
  restraint create  623 torsion \
   *:9:C  *:10:N  *:10:CA *:10:C 
  restraint function  623 flatBottomed 100 100 1000
  restraint target  623  -175.0  -05.0
#
  restraint create  624 torsion \
   *:10:C  *:11:N  *:11:CA *:11:C 
  restraint function  624 flatBottomed 100 100 1000
  restraint target  624  -175.0  -05.0
#
  restraint create  625 torsion \
   *:11:C  *:12:N  *:12:CA *:12:C 
  restraint function  625 flatBottomed 100 100 1000
  restraint target  625  -175.0  -50.0
#
  restraint create  647 torsion \
   *:16:C  *:17:N  *:17:CA *:17:C 
  restraint function  647 flatBottomed 100 100 1000
  restraint target  647  -175.0  -50.0
#
  restraint create  626 torsion \
   *:17:C  *:18:N  *:18:CA *:18:C 
  restraint function  626 flatBottomed 100 100 1000
  restraint target  626  -175.0  -60.0
#
  restraint create  627 torsion \
   *:20:C  *:21:N  *:21:CA *:21:C 
  restraint function  627 flatBottomed 100 100 1000
  restraint target  627  -175.0  -60.0
#
# contraintes sur omega (position trans + ou - 10 degres) 
#
  restraint create  rst628 torsion \
   *:2:CA  *:2:C  *:3:N  *:3:CA 
  restraint function  rst628 trans 10
#
  restraint create  rst629 torsion \
   *:3:CA  *:3:C  *:4:N  *:4:CA 
  restraint function  rst629 trans 10
#
  restraint create  rst646 torsion \
   *:4:CA  *:4:C  *:5:N  *:5:CA 
  restraint function  rst646 trans 10
#
  restraint create  rst630 torsion \
   *:5:CA  *:5:C  *:6:N  *:6:CA 
  restraint function  rst630 trans 10
#
  restraint create  rst631 torsion \
   *:6:CA  *:6:C  *:7:N  *:7:CA 
  restraint function  rst631 trans 10
#
  restraint create  rst632 torsion \
   *:7:CA  *:7:C  *:8:N  *:8:CA 
  restraint function  rst632 trans 10
#
  restraint create  rst633 torsion \
   *:8:CA  *:8:C  *:9:N  *:9:CA 
  restraint function  rst633 trans 10
#
  restraint create  rst634 torsion \
   *:9:CA  *:9:C  *:10:N  *:10:CA 
  restraint function  rst634 trans 10
#
  restraint create  rst635 torsion \
   *:10:CA  *:10:C  *:11:N  *:11:CA 
  restraint function  rst635 trans 10
#
  restraint create  rst636 torsion \
   *:11:CA  *:11:C  *:12:N  *:12:CA 
  restraint function rst636 trans 10
#
  restraint create  rst1000 torsion \
   *:12:CA  *:12:C  *:13:N  *:13:CA
  restraint function  rst1000 trans 10
#
  restraint create  rst637 torsion \
   *:12:CA  *:12:C  *:13:N  *:13:CA 
  restraint function  rst637 trans 10
#
  restraint create  rst638 torsion \
   *:13:CA  *:13:C  *:14:N  *:14:CA 
  restraint function  rst638 trans 10
#
  restraint create  rst639 torsion \
   *:14:CA  *:14:C  *:15:N  *:15:CA 
  restraint function  rst639 trans 10
#
  restraint create  rst640 torsion \
   *:15:CA  *:15:C  *:16:N  *:16:CA 
  restraint function  rst640 trans 10
#
  restraint create  rst641 torsion \
   *:16:CA  *:16:C  *:17:N  *:17:CA 
  restraint function  rst641 trans 10
#
  restraint create  rst642 torsion \
   *:17:CA  *:17:C  *:18:N  *:18:CA 
  restraint function  rst642 trans 10
#
  restraint create  rst643 torsion \
   *:18:CA  *:18:C  *:19:N  *:19:CA 
  restraint function  rst643 trans 10
#
  restraint create  rst644 torsion \
   *:19:CA  *:19:C  *:20:N  *:20:CA 
   restraint function  rst644 trans 10
#
  restraint create  rst645 torsion \
   *:20:CA  *:20:C  *:21:N  *:21:CA 
  restraint function  rst645 trans 10
#

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H        ARG   1   6.285  -2.324   6.064
    2    HA   ARG   1           HA       ARG   1   6.468   0.488   6.148
    3    HB2  ARG   1           1HB      ARG   1   8.353   1.071   4.803
    4    HB3  ARG   1           2HB      ARG   1   8.940   0.097   6.127
    5    HG2  ARG   1           1HG      ARG   1   9.188  -1.893   4.579
    6    HG3  ARG   1           2HG      ARG   1   8.478  -0.967   3.257
    7    HD2  ARG   1           1HD      ARG   1  10.410   0.740   3.470
    8    HD3  ARG   1           2HD      ARG   1  11.133  -0.310   4.678
    9   HH11  ARG   1          1HH2      ARG   1   9.667   0.535   1.510
   10   HH12  ARG   1          2HH2      ARG   1  10.166  -0.028  -0.164
   11   HH21  ARG   1          1HH1      ARG   1  12.260  -2.454   1.071
   12   HH22  ARG   1          2HH1      ARG   1  11.537  -1.621  -0.399
   13    H    ILE   2           H        ILE   2   6.169   1.517   4.002
   14    HA   ILE   2           HA       ILE   2   4.717  -0.288   2.006
   15    HB   ILE   2           HB       ILE   2   3.683   1.672   0.970
   16   HG12  ILE   2          1HG1      ILE   2   3.254   3.750   2.457
   17   HG13  ILE   2          2HG1      ILE   2   4.687   3.327   3.372
   18   HG21  ILE   2          1HG2      ILE   2   2.871   1.234   3.894
   19   HG22  ILE   2          2HG2      ILE   2   1.829   1.848   2.590
   20   HG23  ILE   2          3HG2      ILE   2   2.455   0.197   2.508
   21   HD11  ILE   2          3HD1      ILE   2   6.105   3.703   1.318
   22   HD12  ILE   2          1HD1      ILE   2   4.642   3.892   0.315
   23   HD13  ILE   2          2HD1      ILE   2   5.036   5.094   1.568
   24    H    HIS   3           H        HIS   3   5.105  -0.090  -0.100
   25    HA   HIS   3           HA       HIS   3   7.852   0.931  -0.984
   26    HB2  HIS   3           1HB      HIS   3   7.301  -1.544  -1.252
   27    HB3  HIS   3           2HB      HIS   3   6.012  -1.145  -2.334
   28    HD2  HIS   3           2HD      HIS   3   9.929  -0.899  -2.103
   29    HE1  HIS   3           1HE      HIS   3   8.930  -0.811  -6.144
   30    HE2  HIS   3           2HE      HIS   3  10.954  -0.913  -4.556
   31    H    MET   4           H        MET   4   4.721   0.488  -2.501
   32    HA   MET   4           HA       MET   4   4.688   3.414  -3.539
   33    HB2  MET   4           1HB      MET   4   5.482   1.904  -5.352
   34    HB3  MET   4           2HB      MET   4   4.070   0.873  -5.169
   35    HG2  MET   4           1HG      MET   4   3.851   2.408  -7.128
   36    HG3  MET   4           2HG      MET   4   2.565   2.691  -5.948
   37    HE1  MET   4           3HE      MET   4   1.813   5.116  -6.208
   38    HE2  MET   4           1HE      MET   4   2.890   6.408  -6.811
   39    HE3  MET   4           2HE      MET   4   2.602   4.951  -7.809
   40    H    VAL   5           H        VAL   5   3.341   4.214  -2.182
   41    HA   VAL   5           HA       VAL   5   0.488   3.165  -2.338
   42    HB   VAL   5           HB       VAL   5  -0.296   4.750  -0.732
   43   HG11  VAL   5          1HG1      VAL   5   0.158   2.420  -0.089
   44   HG12  VAL   5          2HG1      VAL   5   1.775   2.878   0.477
   45   HG13  VAL   5          3HG1      VAL   5   0.314   3.543   1.273
   46   HG21  VAL   5          3HG2      VAL   5   2.592   5.427   0.104
   47   HG22  VAL   5          1HG2      VAL   5   1.474   6.534  -0.720
   48   HG23  VAL   5          2HG2      VAL   5   1.081   5.956   0.902
   49    H    TYR   6           H        TYR   6  -0.776   4.172  -3.130
   50    HA   TYR   6           HA       TYR   6  -1.119   7.089  -4.106
   51    HB2  TYR   6           1HB      TYR   6  -3.243   5.030  -3.677
   52    HB3  TYR   6           2HB      TYR   6  -3.438   6.653  -4.260
   53    HD1  TYR   6           2HD      TYR   6  -2.419   7.321  -6.553
   54    HD2  TYR   6           1HD      TYR   6  -2.712   3.234  -5.242
   55    HE1  TYR   6           2HE      TYR   6  -2.180   6.547  -8.877
   56    HE2  TYR   6           1HE      TYR   6  -2.477   2.476  -7.564
   57    HH   TYR   6           HH       TYR   6  -2.210   3.078  -9.684
   58    H    SER   7           H        SER   7  -3.058   6.558  -2.458
   59    HA   SER   7           HA       SER   7  -2.190   7.802   0.243
   60    HB2  SER   7           1HB      SER   7  -3.575   9.225  -1.315
   61    HB3  SER   7           2HB      SER   7  -4.953   8.144  -1.083
   62    HG   SER   7           HG       SER   7  -3.561   9.618   0.914
   63    H    LYS   8           H        LYS   8  -5.370   6.973   0.791
   64    HA   LYS   8           HA       LYS   8  -4.505   4.745   2.664
   65    HB2  LYS   8           1HB      LYS   8  -7.093   6.392   2.532
   66    HB3  LYS   8           2HB      LYS   8  -6.884   5.053   3.631
   67    HG2  LYS   8           1HG      LYS   8  -5.043   7.525   3.642
   68    HG3  LYS   8           2HG      LYS   8  -6.499   7.361   4.611
   69    HD2  LYS   8           1HD      LYS   8  -5.562   5.320   5.755
   70    HD3  LYS   8           2HD      LYS   8  -4.087   5.448   4.797
   71    HE2  LYS   8           1HE      LYS   8  -3.614   7.730   5.798
   72    HE3  LYS   8           2HE      LYS   8  -5.104   7.627   6.748
   73    HZ1  LYS   8           2HZ      LYS   8  -2.808   5.749   6.942
   74    HZ3  LYS   8           1HZ      LYS   8  -3.151   6.946   8.003
   75    H    ARG   9           H        ARG   9  -6.960   5.116   0.065
   76    HA   ARG   9           HA       ARG   9  -7.967   2.382   0.668
   77    HB2  ARG   9           1HB      ARG   9  -9.143   4.759  -0.764
   78    HB3  ARG   9           2HB      ARG   9  -9.819   3.203  -1.033
   79    HG2  ARG   9           1HG      ARG   9  -9.507   4.529   1.748
   80    HG3  ARG   9           2HG      ARG   9 -10.966   4.640   0.780
   81    HD2  ARG   9           1HD      ARG   9 -11.442   2.247   0.976
   82    HD3  ARG   9           2HD      ARG   9  -9.881   1.879   1.679
   83   HH11  ARG   9          1HH1      ARG   9  -8.746   2.537   3.322
   84   HH12  ARG   9          2HH1      ARG   9  -8.816   2.716   5.148
   85   HH21  ARG   9          1HH2      ARG   9 -12.210   3.251   5.148
   86   HH22  ARG   9          2HH2      ARG   9 -10.656   3.098   6.117
   87    H    SEP  10           H        SER  10  -7.386   3.658  -1.552
   88    HA   SEP  10           HA       SER  10  -6.687   1.583  -3.756
   89    HB2  SEP  10           1HB      SER  10  -6.128   3.144  -5.439
   90    HB3  SEP  10           2HB      SER  10  -7.614   3.717  -4.717
   91   HOP2  SEP  10          5H        SER  10  -6.343   8.061  -3.216
   92    H    GLY  11           H        GLY  11  -4.889   3.511  -1.446
   93    HA2  GLY  11           1HA      GLY  11  -2.189   2.735  -2.622
   94    HA3  GLY  11           2HA      GLY  11  -2.453   3.818  -1.276
   95    H    LYS  12           H        LYS  12  -3.755   2.546   0.577
   96    HA   LYS  12           HA       LYS  12  -2.295  -0.102   1.144
   97    HB2  LYS  12           1HB      LYS  12  -1.574   0.551   3.354
   98    HB3  LYS  12           2HB      LYS  12  -0.779   1.433   2.074
   99    HG2  LYS  12           1HG      LYS  12  -2.305   3.440   2.602
  100    HG3  LYS  12           2HG      LYS  12  -2.963   2.536   3.962
  101    HD2  LYS  12           1HD      LYS  12  -0.643   2.338   4.946
  102    HD3  LYS  12           2HD      LYS  12   0.043   3.218   3.597
  103    HE2  LYS  12           1HE      LYS  12  -2.065   4.386   5.536
  104    HE3  LYS  12           2HE      LYS  12  -0.325   4.585   5.723
  105    HZ1  LYS  12           2HZ      LYS  12  -1.396   6.466   4.595
  106    HZ3  LYS  12           1HZ      LYS  12  -1.854   5.509   3.348
  107    HA   PRO  13           HA       PRO  13  -6.279  -1.614   2.886
  108    HB2  PRO  13           1HB      PRO  13  -6.969  -3.222   0.999
  109    HB3  PRO  13           2HB      PRO  13  -7.326  -1.502   0.810
  110    HG2  PRO  13           1HG      PRO  13  -4.972  -3.040  -0.429
  111    HG3  PRO  13           2HG      PRO  13  -6.161  -2.014  -1.247
  112    HD2  PRO  13           1HD      PRO  13  -3.654  -1.126  -0.347
  113    HD3  PRO  13           2HD      PRO  13  -5.042  -0.024  -0.517
  114    H    ARG  14           H        ARG  14  -5.561  -3.807   1.713
  115    HA   ARG  14           HA       ARG  14  -3.433  -5.294   3.235
  116    HB2  ARG  14           1HB      ARG  14  -3.439  -7.027   1.599
  117    HB3  ARG  14           2HB      ARG  14  -5.086  -6.470   1.890
  118    HG2  ARG  14           1HG      ARG  14  -5.112  -5.293  -0.328
  119    HG3  ARG  14           2HG      ARG  14  -3.442  -5.765  -0.604
  120    HD2  ARG  14           1HD      ARG  14  -4.780  -7.254  -1.899
  121    HD3  ARG  14           2HD      ARG  14  -4.124  -8.219  -0.598
  122   HH11  ARG  14          1HH2      ARG  14  -4.782  -9.289   0.933
  123   HH12  ARG  14          2HH2      ARG  14  -6.192 -10.171   1.712
  124   HH21  ARG  14          1HH1      ARG  14  -8.527  -8.327  -0.002
  125   HH22  ARG  14          2HH1      ARG  14  -8.180  -9.656   1.219
  126    H    GLY  15           H        GLY  15  -3.175  -3.507   1.414
  127    HA2  GLY  15           1HA      GLY  15  -0.333  -3.273   0.147
  128    HA3  GLY  15           2HA      GLY  15  -1.464  -1.961   0.023
  129    H    TYR  16           H        TYR  16  -1.593  -2.768   3.228
  130    HA   TYR  16           HA       TYR  16   0.200  -0.691   4.163
  131    HB2  TYR  16           1HB      TYR  16  -1.469  -2.765   5.466
  132    HB3  TYR  16           2HB      TYR  16  -0.075  -2.466   6.384
  133    HD1  TYR  16           1HD      TYR  16   0.497  -0.113   7.252
  134    HD2  TYR  16           2HD      TYR  16  -3.321  -0.990   5.477
  135    HE1  TYR  16           1HE      TYR  16  -0.443   1.933   8.235
  136    HE2  TYR  16           2HE      TYR  16  -4.239   1.066   6.438
  137    HH   TYR  16           HH       TYR  16  -2.240   3.221   8.451
  138    H    ALA  17           H        ALA  17   0.592  -3.273   4.093
  139    HA   ALA  17           HA       ALA  17   3.708  -3.508   3.952
  140    HB1  ALA  17           1HB      ALA  17   3.093  -5.332   5.497
  141    HB2  ALA  17           2HB      ALA  17   2.059  -6.087   4.255
  142    HB3  ALA  17           3HB      ALA  17   3.819  -5.984   4.013
  143    H    PHE  18           H        PHE  18   3.395  -2.313   1.992
  144    HA   PHE  18           HA       PHE  18   2.108  -3.583  -0.365
  145    HB2  PHE  18           1HB      PHE  18   2.521  -0.960   0.144
  146    HB3  PHE  18           2HB      PHE  18   4.014  -1.228  -0.682
  147    HD1  PHE  18           1HD      PHE  18   3.985  -1.923  -3.165
  148    HD2  PHE  18           2HD      PHE  18   0.367  -0.971  -1.044
  149    HE1  PHE  18           1HE      PHE  18   2.772  -1.741  -5.294
  150    HE2  PHE  18           2HE      PHE  18  -0.838  -0.821  -3.178
  151    HZ   PHE  18           HZ       PHE  18   0.359  -1.206  -5.309
  152    H    ILE  19           H        ILE  19   5.455  -3.468   0.741
  153    HA   ILE  19           HA       ILE  19   6.688  -4.215  -1.659
  154    HB   ILE  19           HB       ILE  19   8.062  -5.458   0.626
  155   HG12  ILE  19          1HG1      ILE  19   8.965  -3.270   1.674
  156   HG13  ILE  19          2HG1      ILE  19   7.527  -2.484   1.054
  157   HG21  ILE  19          1HG2      ILE  19   9.077  -3.198  -1.226
  158   HG22  ILE  19          2HG2      ILE  19  10.085  -4.230  -0.183
  159   HG23  ILE  19          3HG2      ILE  19   9.227  -4.938  -1.564
  160   HD11  ILE  19          3HD1      ILE  19   7.554  -4.978   2.923
  161   HD12  ILE  19          1HD1      ILE  19   7.322  -3.305   3.461
  162   HD13  ILE  19          2HD1      ILE  19   6.092  -4.084   2.447
  163    H    GLU  20           H        GLU  20   5.622  -5.867   0.067
  164    HA   GLU  20           HA       GLU  20   5.990  -8.840  -0.797
  165    HB2  GLU  20           1HB      GLU  20   4.654  -7.632   1.693
  166    HB3  GLU  20           2HB      GLU  20   3.867  -9.001   1.024
  167    HG2  GLU  20           1HG      GLU  20   6.037 -10.361   1.203
  168    HG3  GLU  20           2HG      GLU  20   6.856  -8.935   1.835
  169    HE2  GLU  20           HE       GLU  20   4.443 -11.230   2.350
  170    H    TYR  21           H        TYR  21   3.283  -6.817  -0.106
  171    HA   TYR  21           HA       TYR  21   1.901  -7.470  -2.752
  172    HB2  TYR  21           1HB      TYR  21   0.003  -8.563  -2.006
  173    HB3  TYR  21           2HB      TYR  21   1.369  -9.427  -1.385
  174    HD1  TYR  21           1HD      TYR  21   1.849  -7.856   1.314
  175    HD2  TYR  21           2HD      TYR  21  -1.711  -9.344  -0.611
  176    HE1  TYR  21           1HE      TYR  21   0.754  -8.054   3.479
  177    HE2  TYR  21           2HE      TYR  21  -2.778  -9.566   1.583
  178    HH   TYR  21           HH       TYR  21  -1.095  -8.620   4.571
  179    HXT  TYR  21           HO       TYR  21   0.470  -6.327   0.151
  Start of MODEL    2
    1    H1   ARG   1           H        ARG   1   6.576   1.735   5.833
    2    HA   ARG   1           HA       ARG   1   7.831  -0.754   5.312
    3    HB2  ARG   1           1HB      ARG   1   6.133  -2.389   5.998
    4    HB3  ARG   1           2HB      ARG   1   6.938  -1.639   7.355
    5    HG2  ARG   1           1HG      ARG   1   4.976  -0.315   7.959
    6    HG3  ARG   1           2HG      ARG   1   4.168  -0.643   6.435
    7    HD2  ARG   1           1HD      ARG   1   3.995  -3.085   7.005
    8    HD3  ARG   1           2HD      ARG   1   4.776  -2.789   8.570
    9   HH11  ARG   1          1HH2      ARG   1   2.730  -4.438   7.996
   10   HH12  ARG   1          2HH2      ARG   1   1.036  -4.627   8.679
   11   HH21  ARG   1          1HH1      ARG   1   0.756  -1.281   9.394
   12   HH22  ARG   1          2HH1      ARG   1  -0.013  -2.950   9.422
   13    H    ILE   2           H        ILE   2   7.559   0.862   3.452
   14    HA   ILE   2           HA       ILE   2   5.261  -0.121   1.732
   15    HB   ILE   2           HB       ILE   2   4.831   2.155   0.783
   16   HG12  ILE   2          1HG1      ILE   2   6.107   3.350   3.324
   17   HG13  ILE   2          2HG1      ILE   2   6.943   3.287   1.783
   18   HG21  ILE   2          1HG2      ILE   2   3.239   1.024   2.327
   19   HG22  ILE   2          2HG2      ILE   2   3.973   1.858   3.717
   20   HG23  ILE   2          3HG2      ILE   2   3.147   2.788   2.443
   21   HD11  ILE   2          3HD1      ILE   2   4.316   4.827   2.268
   22   HD12  ILE   2          1HD1      ILE   2   5.941   5.513   2.062
   23   HD13  ILE   2          2HD1      ILE   2   5.151   4.694   0.695
   24    H    HIS   3           H        HIS   3   5.460   0.007  -0.345
   25    HA   HIS   3           HA       HIS   3   8.235   0.463  -1.592
   26    HB2  HIS   3           1HB      HIS   3   7.346  -1.892  -1.679
   27    HB3  HIS   3           2HB      HIS   3   5.970  -1.376  -2.595
   28    HD2  HIS   3           2HD      HIS   3   6.317  -0.882  -5.235
   29    HE1  HIS   3           1HE      HIS   3  10.319  -2.000  -5.483
   30    HE2  HIS   3           2HE      HIS   3   8.285  -1.409  -6.943
   31    H    MET   4           H        MET   4   4.943   0.415  -2.798
   32    HA   MET   4           HA       MET   4   4.960   3.399  -3.480
   33    HB2  MET   4           1HB      MET   4   5.983   2.220  -5.490
   34    HB3  MET   4           2HB      MET   4   4.490   1.325  -5.718
   35    HG2  MET   4           1HG      MET   4   4.640   4.421  -5.720
   36    HG3  MET   4           2HG      MET   4   4.824   3.435  -7.177
   37    HE1  MET   4           3HE      MET   4   1.045   5.153  -6.877
   38    HE2  MET   4           1HE      MET   4   2.404   5.702  -5.855
   39    HE3  MET   4           2HE      MET   4   2.654   5.432  -7.610
   40    H    VAL   5           H        VAL   5   3.580   3.620  -1.901
   41    HA   VAL   5           HA       VAL   5   0.763   2.638  -2.441
   42    HB   VAL   5           HB       VAL   5  -0.102   3.871  -0.590
   43   HG11  VAL   5          1HG1      VAL   5   2.083   1.889   0.205
   44   HG12  VAL   5          2HG1      VAL   5   0.729   2.414   1.243
   45   HG13  VAL   5          3HG1      VAL   5   0.399   1.543  -0.261
   46   HG21  VAL   5          3HG2      VAL   5   1.209   4.877   1.232
   47   HG22  VAL   5          1HG2      VAL   5   2.732   4.631   0.322
   48   HG23  VAL   5          2HG2      VAL   5   1.490   5.750  -0.274
   49    H    TYR   6           H        TYR   6  -0.544   3.792  -3.059
   50    HA   TYR   6           HA       TYR   6  -0.772   6.787  -3.750
   51    HB2  TYR   6           1HB      TYR   6  -3.000   4.826  -3.468
   52    HB3  TYR   6           2HB      TYR   6  -3.092   6.483  -3.970
   53    HD1  TYR   6           2HD      TYR   6  -2.012   7.203  -6.214
   54    HD2  TYR   6           1HD      TYR   6  -2.517   3.077  -5.102
   55    HE1  TYR   6           2HE      TYR   6  -1.757   6.528  -8.567
   56    HE2  TYR   6           1HE      TYR   6  -2.262   2.417  -7.452
   57    HH   TYR   6           HH       TYR   6  -1.921   3.104  -9.537
   58    H    SER   7           H        SER   7  -2.710   6.129  -2.148
   59    HA   SER   7           HA       SER   7  -1.955   7.343   0.611
   60    HB2  SER   7           1HB      SER   7  -4.457   8.017  -1.067
   61    HB3  SER   7           2HB      SER   7  -4.093   8.702   0.520
   62    HG   SER   7           HG       SER   7  -2.398   8.848  -1.747
   63    H    LYS   8           H        LYS   8  -5.286   6.818   0.687
   64    HA   LYS   8           HA       LYS   8  -4.867   4.711   2.826
   65    HB2  LYS   8           1HB      LYS   8  -6.081   6.853   3.329
   66    HB3  LYS   8           2HB      LYS   8  -7.346   6.412   2.189
   67    HG2  LYS   8           1HG      LYS   8  -7.836   4.335   3.617
   68    HG3  LYS   8           2HG      LYS   8  -6.594   4.859   4.755
   69    HD2  LYS   8           1HD      LYS   8  -7.891   7.007   5.156
   70    HD3  LYS   8           2HD      LYS   8  -9.113   6.482   3.990
   71    HE2  LYS   8           1HE      LYS   8  -9.613   4.443   5.436
   72    HE3  LYS   8           2HE      LYS   8  -8.407   4.988   6.612
   73    HZ1  LYS   8           2HZ      LYS   8 -10.655   5.665   7.199
   74    HZ3  LYS   8           1HZ      LYS   8 -10.833   6.500   5.804
   75    H    ARG   9           H        ARG   9  -6.974   5.080  -0.078
   76    HA   ARG   9           HA       ARG   9  -8.191   2.407   0.496
   77    HB2  ARG   9           1HB      ARG   9  -9.101   4.756  -1.172
   78    HB3  ARG   9           2HB      ARG   9  -9.886   3.232  -1.249
   79    HG2  ARG   9           1HG      ARG   9  -9.632   5.073   1.227
   80    HG3  ARG   9           2HG      ARG   9 -11.070   4.866   0.239
   81    HD2  ARG   9           1HD      ARG   9 -11.252   2.443   1.015
   82    HD3  ARG   9           2HD      ARG   9  -9.810   2.680   2.025
   83   HH11  ARG   9          1HH1      ARG   9 -10.971   1.395   3.349
   84   HH12  ARG   9          2HH1      ARG   9 -11.911   1.472   4.925
   85   HH21  ARG   9          1HH2      ARG   9 -12.910   4.713   4.380
   86   HH22  ARG   9          2HH2      ARG   9 -12.942   3.235   5.472
   87    H    SEP  10           H        SER  10  -7.425   3.644  -1.690
   88    HA   SEP  10           HA       SER  10  -6.630   1.578  -3.873
   89    HB2  SEP  10           1HB      SER  10  -5.885   3.135  -5.472
   90    HB3  SEP  10           2HB      SER  10  -7.376   3.790  -4.837
   91   HOP2  SEP  10          5H        SER  10  -7.981   6.927  -2.999
   92    H    GLY  11           H        GLY  11  -4.927   3.513  -1.502
   93    HA2  GLY  11           1HA      GLY  11  -2.181   2.486  -2.307
   94    HA3  GLY  11           2HA      GLY  11  -2.519   3.594  -0.999
   95    H    LYS  12           H        LYS  12  -4.237   2.370   0.621
   96    HA   LYS  12           HA       LYS  12  -2.729  -0.178   1.567
   97    HB2  LYS  12           1HB      LYS  12  -3.627   2.231   3.293
   98    HB3  LYS  12           2HB      LYS  12  -2.943   0.731   3.892
   99    HG2  LYS  12           1HG      LYS  12  -0.800   1.177   2.638
  100    HG3  LYS  12           2HG      LYS  12  -1.441   2.732   2.108
  101    HD2  LYS  12           1HD      LYS  12  -1.641   3.529   4.455
  102    HD3  LYS  12           2HD      LYS  12  -1.184   1.942   5.073
  103    HE2  LYS  12           1HE      LYS  12   1.095   2.147   3.977
  104    HE3  LYS  12           2HE      LYS  12   0.659   3.759   3.382
  105    HZ1  LYS  12           2HZ      LYS  12   0.366   4.472   5.677
  106    HZ3  LYS  12           1HZ      LYS  12   1.882   3.908   5.430
  107    HA   PRO  13           HA       PRO  13  -6.676  -2.296   2.438
  108    HB2  PRO  13           1HB      PRO  13  -6.733  -3.980   0.485
  109    HB3  PRO  13           2HB      PRO  13  -7.346  -2.349   0.191
  110    HG2  PRO  13           1HG      PRO  13  -4.567  -3.439  -0.549
  111    HG3  PRO  13           2HG      PRO  13  -5.749  -2.658  -1.606
  112    HD2  PRO  13           1HD      PRO  13  -3.663  -1.299  -0.298
  113    HD3  PRO  13           2HD      PRO  13  -5.180  -0.480  -0.754
  114    H    ARG  14           H        ARG  14  -5.424  -4.338   1.467
  115    HA   ARG  14           HA       ARG  14  -3.309  -5.377   3.348
  116    HB2  ARG  14           1HB      ARG  14  -2.844  -7.185   1.837
  117    HB3  ARG  14           2HB      ARG  14  -4.585  -6.889   1.956
  118    HG2  ARG  14           1HG      ARG  14  -4.648  -5.902  -0.321
  119    HG3  ARG  14           2HG      ARG  14  -2.894  -6.005  -0.441
  120    HD2  ARG  14           1HD      ARG  14  -3.099  -8.571  -0.166
  121    HD3  ARG  14           2HD      ARG  14  -4.857  -8.388  -0.286
  122   HH11  ARG  14          1HH2      ARG  14  -3.533 -10.322  -1.370
  123   HH12  ARG  14          2HH2      ARG  14  -3.313 -10.946  -3.084
  124   HH21  ARG  14          1HH1      ARG  14  -3.617  -7.813  -4.458
  125   HH22  ARG  14          2HH1      ARG  14  -3.359  -9.613  -4.724
  126    H    GLY  15           H        GLY  15  -3.118  -3.684   1.433
  127    HA2  GLY  15           1HA      GLY  15  -0.246  -3.183   0.314
  128    HA3  GLY  15           2HA      GLY  15  -1.501  -2.010   0.042
  129    H    TYR  16           H        TYR  16  -1.727  -2.653   3.259
  130    HA   TYR  16           HA       TYR  16  -0.221  -0.428   4.302
  131    HB2  TYR  16           1HB      TYR  16  -1.585  -2.805   5.475
  132    HB3  TYR  16           2HB      TYR  16  -0.249  -2.350   6.417
  133    HD1  TYR  16           2HD      TYR  16  -0.042   0.074   7.344
  134    HD2  TYR  16           1HD      TYR  16  -3.693  -1.449   5.653
  135    HE1  TYR  16           2HE      TYR  16  -1.313   1.867   8.447
  136    HE2  TYR  16           1HE      TYR  16  -4.946   0.355   6.739
  137    HH   TYR  16           HH       TYR  16  -4.839   2.156   8.033
  138    H    ALA  17           H        ALA  17   0.516  -2.929   4.089
  139    HA   ALA  17           HA       ALA  17   3.626  -2.812   3.964
  140    HB1  ALA  17           1HB      ALA  17   2.288  -5.568   4.249
  141    HB2  ALA  17           2HB      ALA  17   4.024  -5.256   4.020
  142    HB3  ALA  17           3HB      ALA  17   3.216  -4.711   5.503
  143    H    PHE  18           H        PHE  18   3.502  -1.803   1.929
  144    HA   PHE  18           HA       PHE  18   2.179  -3.208  -0.362
  145    HB2  PHE  18           1HB      PHE  18   2.463  -0.549   0.067
  146    HB3  PHE  18           2HB      PHE  18   3.937  -0.761  -0.817
  147    HD1  PHE  18           1HD      PHE  18   3.790  -1.650  -3.283
  148    HD2  PHE  18           2HD      PHE  18   0.285  -0.667  -0.995
  149    HE1  PHE  18           1HE      PHE  18   2.440  -1.650  -5.334
  150    HE2  PHE  18           2HE      PHE  18  -1.045  -0.632  -3.060
  151    HZ   PHE  18           HZ       PHE  18   0.023  -1.141  -5.232
  152    H    ILE  19           H        ILE  19   5.393  -3.265   0.897
  153    HA   ILE  19           HA       ILE  19   6.770  -4.051  -1.438
  154    HB   ILE  19           HB       ILE  19   7.754  -5.425   0.999
  155   HG12  ILE  19          1HG1      ILE  19   8.878  -3.300   2.006
  156   HG13  ILE  19          2HG1      ILE  19   7.624  -2.378   1.198
  157   HG21  ILE  19          1HG2      ILE  19  10.009  -4.535   0.336
  158   HG22  ILE  19          2HG2      ILE  19   9.191  -5.237  -1.067
  159   HG23  ILE  19          3HG2      ILE  19   9.254  -3.469  -0.875
  160   HD11  ILE  19          3HD1      ILE  19   7.074  -2.951   3.614
  161   HD12  ILE  19          1HD1      ILE  19   5.860  -3.674   2.551
  162   HD13  ILE  19          2HD1      ILE  19   7.145  -4.687   3.237
  163    H    GLU  20           H        GLU  20   5.380  -5.604   0.143
  164    HA   GLU  20           HA       GLU  20   5.407  -8.517  -0.960
  165    HB2  GLU  20           1HB      GLU  20   4.227  -7.488   1.666
  166    HB3  GLU  20           2HB      GLU  20   3.210  -8.575   0.807
  167    HG2  GLU  20           1HG      GLU  20   5.108 -10.307   0.725
  168    HG3  GLU  20           2HG      GLU  20   6.126  -9.189   1.629
  169    HE2  GLU  20           HE       GLU  20   3.249 -10.979   1.641
  170    H    TYR  21           H        TYR  21   2.948  -6.228  -0.074
  171    HA   TYR  21           HA       TYR  21   1.158  -7.233  -2.369
  172    HB2  TYR  21           1HB      TYR  21   0.283  -5.668   0.118
  173    HB3  TYR  21           2HB      TYR  21  -0.760  -6.381  -1.078
  174    HD1  TYR  21           1HD      TYR  21  -0.577  -9.019  -1.448
  175    HD2  TYR  21           2HD      TYR  21   0.871  -6.990   2.060
  176    HE1  TYR  21           1HE      TYR  21  -0.628 -11.132  -0.191
  177    HE2  TYR  21           2HE      TYR  21   0.810  -9.102   3.302
  178    HH   TYR  21           HH       TYR  21   0.381 -11.278   3.222
  179    HXT  TYR  21           HO       TYR  21   1.930  -4.341  -4.107
  Start of MODEL    3
    1    H1   ARG   1           H        ARG   1   4.624   0.990   6.821
    2    HA   ARG   1           HA       ARG   1   7.300   0.765   5.933
    3    HB2  ARG   1           1HB      ARG   1   7.686  -1.624   5.732
    4    HB3  ARG   1           2HB      ARG   1   7.597  -1.114   7.400
    5    HG2  ARG   1           1HG      ARG   1   5.292  -2.094   7.626
    6    HG3  ARG   1           2HG      ARG   1   5.291  -2.551   5.925
    7    HD2  ARG   1           1HD      ARG   1   7.274  -4.060   6.292
    8    HD3  ARG   1           2HD      ARG   1   7.278  -3.643   8.019
    9   HH11  ARG   1          1HH2      ARG   1   7.769  -6.025   7.091
   10   HH12  ARG   1          2HH2      ARG   1   7.027  -7.684   7.356
   11   HH21  ARG   1          1HH1      ARG   1   3.879  -6.398   7.844
   12   HH22  ARG   1          2HH1      ARG   1   4.957  -7.883   7.749
   13    H    ILE   2           H        ILE   2   7.011   1.329   3.891
   14    HA   ILE   2           HA       ILE   2   5.054  -0.168   2.147
   15    HB   ILE   2           HB       ILE   2   4.328   1.932   0.931
   16   HG12  ILE   2          1HG1      ILE   2   5.020   3.488   3.497
   17   HG13  ILE   2          2HG1      ILE   2   6.042   3.506   2.072
   18   HG21  ILE   2          1HG2      ILE   2   2.359   2.306   2.334
   19   HG22  ILE   2          2HG2      ILE   2   2.790   0.592   2.339
   20   HG23  ILE   2          3HG2      ILE   2   3.172   1.604   3.753
   21   HD11  ILE   2          3HD1      ILE   2   4.614   5.505   2.061
   22   HD12  ILE   2          1HD1      ILE   2   4.165   4.475   0.682
   23   HD13  ILE   2          2HD1      ILE   2   3.132   4.527   2.138
   24    H    HIS   3           H        HIS   3   5.432  -0.132   0.038
   25    HA   HIS   3           HA       HIS   3   8.261   0.590  -0.911
   26    HB2  HIS   3           1HB      HIS   3   7.648  -1.841  -0.959
   27    HB3  HIS   3           2HB      HIS   3   6.303  -1.527  -1.991
   28    HD2  HIS   3           2HD      HIS   3  10.228  -1.379  -2.032
   29    HE1  HIS   3           1HE      HIS   3   8.969  -1.741  -5.984
   30    HE2  HIS   3           2HE      HIS   3  11.089  -1.720  -4.524
   31    H    MET   4           H        MET   4   5.181   0.121  -2.515
   32    HA   MET   4           HA       MET   4   5.177   3.000  -3.659
   33    HB2  MET   4           1HB      MET   4   6.402   1.389  -5.223
   34    HB3  MET   4           2HB      MET   4   4.936   0.433  -5.356
   35    HG2  MET   4           1HG      MET   4   3.751   2.509  -6.348
   36    HG3  MET   4           2HG      MET   4   5.292   3.374  -6.244
   37    HE1  MET   4           3HE      MET   4   3.062   0.983  -8.288
   38    HE2  MET   4           1HE      MET   4   4.206  -0.044  -9.203
   39    HE3  MET   4           2HE      MET   4   3.990  -0.296  -7.446
   40    H    VAL   5           H        VAL   5   3.585   3.502  -2.307
   41    HA   VAL   5           HA       VAL   5   0.934   2.783  -3.575
   42    HB   VAL   5           HB       VAL   5  -0.444   3.348  -1.713
   43   HG11  VAL   5          1HG1      VAL   5   0.051   0.986  -2.151
   44   HG12  VAL   5          2HG1      VAL   5   1.397   1.020  -0.980
   45   HG13  VAL   5          3HG1      VAL   5  -0.284   1.272  -0.438
   46   HG21  VAL   5          3HG2      VAL   5   0.281   3.523   0.646
   47   HG22  VAL   5          1HG2      VAL   5   1.997   3.466   0.148
   48   HG23  VAL   5          2HG2      VAL   5   0.957   4.836  -0.315
   49    H    TYR   6           H        TYR   6  -0.192   4.248  -4.041
   50    HA   TYR   6           HA       TYR   6   0.099   7.279  -3.755
   51    HB2  TYR   6           1HB      TYR   6  -2.189   5.680  -4.854
   52    HB3  TYR   6           2HB      TYR   6  -2.137   7.411  -4.694
   53    HD1  TYR   6           2HD      TYR   6  -0.440   8.794  -6.035
   54    HD2  TYR   6           1HD      TYR   6  -1.057   4.599  -6.773
   55    HE1  TYR   6           2HE      TYR   6   0.625   9.016  -8.240
   56    HE2  TYR   6           1HE      TYR   6   0.008   4.836  -8.973
   57    HH   TYR   6           HH       TYR   6   0.991   6.216 -10.411
   58    H    SER   7           H        SER   7  -2.253   6.382  -3.099
   59    HA   SER   7           HA       SER   7  -2.762   7.943  -0.739
   60    HB2  SER   7           1HB      SER   7  -4.274   7.725  -2.824
   61    HB3  SER   7           2HB      SER   7  -4.999   6.295  -2.081
   62    HG   SER   7           HG       SER   7  -6.190   8.064  -1.556
   63    H    LYS   8           H        LYS   8  -4.900   7.165   0.744
   64    HA   LYS   8           HA       LYS   8  -3.561   5.315   2.738
   65    HB2  LYS   8           1HB      LYS   8  -5.942   7.197   3.133
   66    HB3  LYS   8           2HB      LYS   8  -5.262   6.154   4.374
   67    HG2  LYS   8           1HG      LYS   8  -3.002   7.321   4.057
   68    HG3  LYS   8           2HG      LYS   8  -3.791   8.485   3.007
   69    HD2  LYS   8           1HD      LYS   8  -4.496   7.972   5.984
   70    HD3  LYS   8           2HD      LYS   8  -3.459   9.237   5.375
   71    HE2  LYS   8           1HE      LYS   8  -5.450  10.400   5.752
   72    HE3  LYS   8           2HE      LYS   8  -5.482  10.161   4.008
   73    HZ1  LYS   8           2HZ      LYS   8  -6.913   8.477   6.007
   74    HZ3  LYS   8           1HZ      LYS   8  -6.969   8.250   4.392
   75    H    ARG   9           H        ARG   9  -6.917   5.558   1.359
   76    HA   ARG   9           HA       ARG   9  -7.488   2.867   2.541
   77    HB2  ARG   9           1HB      ARG   9  -9.269   5.208   1.875
   78    HB3  ARG   9           2HB      ARG   9  -9.931   3.620   1.811
   79    HG2  ARG   9           1HG      ARG   9 -10.446   4.280   4.031
   80    HG3  ARG   9           2HG      ARG   9  -9.057   3.236   4.253
   81    HD2  ARG   9           1HD      ARG   9  -7.656   5.573   4.132
   82    HD3  ARG   9           2HD      ARG   9  -9.215   6.311   4.383
   83   HH11  ARG   9          1HH1      ARG   9  -6.467   4.129   4.983
   84   HH12  ARG   9          2HH1      ARG   9  -5.736   3.607   6.584
   85   HH21  ARG   9          1HH2      ARG   9  -8.382   4.836   8.400
   86   HH22  ARG   9          2HH2      ARG   9  -6.757   3.976   8.397
   87    H    SEP  10           H        SER  10  -7.988   4.078   0.265
   88    HA   SEP  10           HA       SER  10  -8.456   1.992  -1.986
   89    HB2  SEP  10           1HB      SER  10  -8.487   3.611  -3.769
   90    HB3  SEP  10           2HB      SER  10  -9.586   4.124  -2.510
   91   HOP2  SEP  10          5H        SER  10 -10.084   7.474  -1.399
   92    H    GLY  11           H        GLY  11  -5.768   3.955  -0.891
   93    HA2  GLY  11           1HA      GLY  11  -3.771   2.780  -2.842
   94    HA3  GLY  11           2HA      GLY  11  -3.386   3.850  -1.527
   95    H    LYS  12           H        LYS  12  -4.581   2.360   0.632
   96    HA   LYS  12           HA       LYS  12  -2.801  -0.201   0.724
   97    HB2  LYS  12           1HB      LYS  12  -3.503   1.637   3.098
   98    HB3  LYS  12           2HB      LYS  12  -2.550   0.189   3.141
   99    HG2  LYS  12           1HG      LYS  12  -0.765   1.232   1.757
  100    HG3  LYS  12           2HG      LYS  12  -1.691   2.716   1.600
  101    HD2  LYS  12           1HD      LYS  12  -0.700   1.560   4.288
  102    HD3  LYS  12           2HD      LYS  12   0.190   2.725   3.322
  103    HE2  LYS  12           1HE      LYS  12  -1.646   4.417   3.548
  104    HE3  LYS  12           2HE      LYS  12  -2.623   3.276   4.487
  105    HZ1  LYS  12           2HZ      LYS  12  -1.428   4.738   5.936
  106    HZ3  LYS  12           1HZ      LYS  12  -0.864   3.218   6.151
  107    HA   PRO  13           HA       PRO  13  -6.573  -2.650   1.823
  108    HB2  PRO  13           1HB      PRO  13  -6.790  -4.067  -0.315
  109    HB3  PRO  13           2HB      PRO  13  -7.469  -2.436  -0.317
  110    HG2  PRO  13           1HG      PRO  13  -4.766  -3.305  -1.493
  111    HG3  PRO  13           2HG      PRO  13  -6.071  -2.424  -2.296
  112    HD2  PRO  13           1HD      PRO  13  -3.873  -1.216  -1.042
  113    HD3  PRO  13           2HD      PRO  13  -5.451  -0.383  -1.204
  114    H    ARG  14           H        ARG  14  -5.356  -4.484   0.458
  115    HA   ARG  14           HA       ARG  14  -3.175  -5.784   2.005
  116    HB2  ARG  14           1HB      ARG  14  -2.584  -7.207   0.115
  117    HB3  ARG  14           2HB      ARG  14  -4.335  -7.008   0.266
  118    HG2  ARG  14           1HG      ARG  14  -4.406  -5.475  -1.660
  119    HG3  ARG  14           2HG      ARG  14  -2.660  -5.526  -1.845
  120    HD2  ARG  14           1HD      ARG  14  -4.479  -8.013  -2.098
  121    HD3  ARG  14           2HD      ARG  14  -4.125  -6.970  -3.451
  122   HH11  ARG  14          1HH2      ARG  14  -2.352  -6.090  -4.274
  123   HH12  ARG  14          2HH2      ARG  14  -0.776  -6.592  -5.074
  124   HH21  ARG  14          1HH1      ARG  14  -0.530  -9.462  -3.211
  125   HH22  ARG  14          2HH1      ARG  14   0.188  -8.380  -4.510
  126    H    GLY  15           H        GLY  15  -2.987  -3.721   0.466
  127    HA2  GLY  15           1HA      GLY  15  -0.068  -3.024  -0.393
  128    HA3  GLY  15           2HA      GLY  15  -1.339  -1.841  -0.596
  129    H    TYR  16           H        TYR  16  -1.761  -2.872   2.493
  130    HA   TYR  16           HA       TYR  16  -0.480  -0.659   3.795
  131    HB2  TYR  16           1HB      TYR  16  -1.848  -3.139   4.725
  132    HB3  TYR  16           2HB      TYR  16  -0.674  -2.627   5.838
  133    HD1  TYR  16           2HD      TYR  16  -0.716  -0.001   6.552
  134    HD2  TYR  16           1HD      TYR  16  -4.089  -2.138   4.949
  135    HE1  TYR  16           2HE      TYR  16  -2.246   1.674   7.503
  136    HE2  TYR  16           1HE      TYR  16  -5.597  -0.453   5.881
  137    HH   TYR  16           HH       TYR  16  -5.772   1.390   7.089
  138    H    ALA  17           H        ALA  17   0.411  -3.111   3.611
  139    HA   ALA  17           HA       ALA  17   3.479  -2.691   3.728
  140    HB1  ALA  17           1HB      ALA  17   4.186  -5.025   4.158
  141    HB2  ALA  17           2HB      ALA  17   3.200  -4.402   5.492
  142    HB3  ALA  17           3HB      ALA  17   2.493  -5.546   4.321
  143    H    PHE  18           H        PHE  18   3.204  -1.907   1.607
  144    HA   PHE  18           HA       PHE  18   2.407  -3.671  -0.627
  145    HB2  PHE  18           1HB      PHE  18   2.398  -1.034  -0.515
  146    HB3  PHE  18           2HB      PHE  18   4.066  -1.115  -0.982
  147    HD1  PHE  18           1HD      PHE  18   4.648  -2.062  -3.340
  148    HD2  PHE  18           2HD      PHE  18   0.574  -1.520  -2.067
  149    HE1  PHE  18           1HE      PHE  18   3.889  -2.256  -5.661
  150    HE2  PHE  18           2HE      PHE  18  -0.171  -1.729  -4.396
  151    HZ   PHE  18           HZ       PHE  18   1.481  -2.097  -6.200
  152    H    ILE  19           H        ILE  19   5.470  -3.334   0.966
  153    HA   ILE  19           HA       ILE  19   7.149  -4.299  -1.094
  154    HB   ILE  19           HB       ILE  19   7.968  -5.249   1.594
  155   HG12  ILE  19          1HG1      ILE  19   8.809  -2.920   2.410
  156   HG13  ILE  19          2HG1      ILE  19   7.578  -2.229   1.373
  157   HG21  ILE  19          1HG2      ILE  19  10.202  -4.251   1.032
  158   HG22  ILE  19          2HG2      ILE  19   9.590  -5.191  -0.339
  159   HG23  ILE  19          3HG2      ILE  19   9.499  -3.415  -0.375
  160   HD11  ILE  19          3HD1      ILE  19   5.803  -3.583   2.701
  161   HD12  ILE  19          1HD1      ILE  19   7.113  -4.248   3.693
  162   HD13  ILE  19          2HD1      ILE  19   6.758  -2.504   3.721
  163    H    GLU  20           H        GLU  20   5.705  -5.716   0.566
  164    HA   GLU  20           HA       GLU  20   6.028  -8.774   0.034
  165    HB2  GLU  20           1HB      GLU  20   4.355  -7.303   2.157
  166    HB3  GLU  20           2HB      GLU  20   3.646  -8.711   1.477
  167    HG2  GLU  20           1HG      GLU  20   5.666 -10.106   2.147
  168    HG3  GLU  20           2HG      GLU  20   6.445  -8.667   2.803
  169    HE2  GLU  20           HE       GLU  20   5.553  -7.681   4.479
  170    H    TYR  21           H        TYR  21   3.370  -6.578   0.155
  171    HA   TYR  21           HA       TYR  21   1.902  -8.096  -2.063
  172    HB2  TYR  21           1HB      TYR  21   0.830  -6.031  -0.072
  173    HB3  TYR  21           2HB      TYR  21  -0.155  -6.901  -1.206
  174    HD1  TYR  21           2HD      TYR  21  -0.181  -9.545  -1.071
  175    HD2  TYR  21           1HD      TYR  21   1.215  -7.027   2.128
  176    HE1  TYR  21           2HE      TYR  21  -0.466 -11.392   0.523
  177    HE2  TYR  21           1HE      TYR  21   0.943  -8.881   3.701
  178    HH   TYR  21           HH       TYR  21   0.366 -11.008   3.965
  179    HXT  TYR  21           HO       TYR  21   2.826  -5.688  -4.364
  Start of MODEL    4
    1    H1   ARG   1           H        ARG   1   8.445   0.062   4.770
    2    HA   ARG   1           HA       ARG   1   6.432  -1.125   6.336
    3    HB2  ARG   1           1HB      ARG   1   6.554   1.092   7.582
    4    HB3  ARG   1           2HB      ARG   1   6.012   1.906   6.123
    5    HG2  ARG   1           1HG      ARG   1   3.875   0.400   6.216
    6    HG3  ARG   1           2HG      ARG   1   4.468  -0.221   7.744
    7    HD2  ARG   1           1HD      ARG   1   2.880   1.485   8.325
    8    HD3  ARG   1           2HD      ARG   1   4.449   2.170   8.682
    9   HH11  ARG   1          1HH2      ARG   1   1.659   1.352   6.566
   10   HH12  ARG   1          2HH2      ARG   1   0.760   2.417   5.370
   11   HH21  ARG   1          1HH1      ARG   1   3.063   4.949   5.616
   12   HH22  ARG   1          2HH1      ARG   1   1.505   4.328   4.865
   13    H    ILE   2           H        ILE   2   6.508   1.425   3.916
   14    HA   ILE   2           HA       ILE   2   4.959  -0.407   2.000
   15    HB   ILE   2           HB       ILE   2   3.823   1.559   0.967
   16   HG12  ILE   2          1HG1      ILE   2   3.342   3.584   2.469
   17   HG13  ILE   2          2HG1      ILE   2   4.759   3.184   3.415
   18   HG21  ILE   2          1HG2      ILE   2   1.995   1.624   2.617
   19   HG22  ILE   2          2HG2      ILE   2   2.682  -0.003   2.494
   20   HG23  ILE   2          3HG2      ILE   2   3.087   1.027   3.886
   21   HD11  ILE   2          3HD1      ILE   2   5.113   4.997   1.664
   22   HD12  ILE   2          1HD1      ILE   2   6.224   3.641   1.416
   23   HD13  ILE   2          2HD1      ILE   2   4.787   3.817   0.373
   24    H    HIS   3           H        HIS   3   5.215  -0.210  -0.123
   25    HA   HIS   3           HA       HIS   3   7.921   0.806  -1.131
   26    HB2  HIS   3           1HB      HIS   3   7.373  -1.649  -1.353
   27    HB3  HIS   3           2HB      HIS   3   6.008  -1.284  -2.352
   28    HD2  HIS   3           2HD      HIS   3   9.925  -1.056  -2.387
   29    HE1  HIS   3           1HE      HIS   3   8.664  -0.994  -6.355
   30    HE2  HIS   3           2HE      HIS   3  10.787  -1.106  -4.903
   31    H    MET   4           H        MET   4   4.757   0.353  -2.573
   32    HA   MET   4           HA       MET   4   4.678   3.291  -3.580
   33    HB2  MET   4           1HB      MET   4   5.482   1.635  -5.368
   34    HB3  MET   4           2HB      MET   4   3.945   0.796  -5.234
   35    HG2  MET   4           1HG      MET   4   2.787   3.057  -5.891
   36    HG3  MET   4           2HG      MET   4   4.410   3.695  -6.190
   37    HE1  MET   4           3HE      MET   4   2.114   0.541  -8.706
   38    HE2  MET   4           1HE      MET   4   2.252   0.346  -6.934
   39    HE3  MET   4           2HE      MET   4   1.410   1.772  -7.615
   40    H    VAL   5           H        VAL   5   3.363   3.933  -2.022
   41    HA   VAL   5           HA       VAL   5   0.498   2.946  -2.243
   42    HB   VAL   5           HB       VAL   5  -0.284   4.604  -0.707
   43   HG11  VAL   5          1HG1      VAL   5   0.140   2.310   0.047
   44   HG12  VAL   5          2HG1      VAL   5   1.771   2.766   0.585
   45   HG13  VAL   5          3HG1      VAL   5   0.325   3.488   1.359
   46   HG21  VAL   5          3HG2      VAL   5   1.466   6.385  -0.776
   47   HG22  VAL   5          1HG2      VAL   5   1.089   5.877   0.872
   48   HG23  VAL   5          2HG2      VAL   5   2.600   5.323   0.087
   49    H    TYR   6           H        TYR   6  -0.788   3.958  -3.081
   50    HA   TYR   6           HA       TYR   6  -1.012   6.810  -4.250
   51    HB2  TYR   6           1HB      TYR   6  -3.244   4.904  -3.722
   52    HB3  TYR   6           2HB      TYR   6  -3.314   6.462  -4.479
   53    HD1  TYR   6           2HD      TYR   6  -2.189   6.812  -6.793
   54    HD2  TYR   6           1HD      TYR   6  -2.752   2.918  -5.055
   55    HE1  TYR   6           2HE      TYR   6  -1.895   5.771  -9.004
   56    HE2  TYR   6           1HE      TYR   6  -2.458   1.892  -7.264
   57    HH   TYR   6           HH       TYR   6  -2.070   2.238  -9.422
   58    H    SER   7           H        SER   7  -2.976   6.397  -2.592
   59    HA   SER   7           HA       SER   7  -2.135   7.850   0.021
   60    HB2  SER   7           1HB      SER   7  -4.905   8.100  -1.303
   61    HB3  SER   7           2HB      SER   7  -4.334   9.004   0.100
   62    HG   SER   7           HG       SER   7  -3.255   9.037  -2.516
   63    H    LYS   8           H        LYS   8  -5.281   7.085   0.714
   64    HA   LYS   8           HA       LYS   8  -4.360   4.928   2.654
   65    HB2  LYS   8           1HB      LYS   8  -6.913   6.623   2.699
   66    HB3  LYS   8           2HB      LYS   8  -6.558   5.312   3.811
   67    HG2  LYS   8           1HG      LYS   8  -4.420   6.515   4.539
   68    HG3  LYS   8           2HG      LYS   8  -4.860   7.856   3.497
   69    HD2  LYS   8           1HD      LYS   8  -5.546   8.501   5.691
   70    HD3  LYS   8           2HD      LYS   8  -7.013   8.164   4.803
   71    HE2  LYS   8           1HE      LYS   8  -7.281   7.270   7.041
   72    HE3  LYS   8           2HE      LYS   8  -7.187   5.887   5.959
   73    HZ1  LYS   8           2HZ      LYS   8  -5.835   5.600   7.938
   74    HZ3  LYS   8           1HZ      LYS   8  -4.965   6.952   7.630
   75    H    ARG   9           H        ARG   9  -7.055   5.339   0.310
   76    HA   ARG   9           HA       ARG   9  -8.032   2.621   0.943
   77    HB2  ARG   9           1HB      ARG   9  -9.209   5.009  -0.462
   78    HB3  ARG   9           2HB      ARG   9  -9.852   3.453  -0.846
   79    HG2  ARG   9           1HG      ARG   9 -10.392   3.039   1.612
   80    HG3  ARG   9           2HG      ARG   9  -9.679   4.600   2.025
   81    HD2  ARG   9           1HD      ARG   9 -11.408   5.773   0.577
   82    HD3  ARG   9           2HD      ARG   9 -12.129   4.202   0.173
   83   HH11  ARG   9          1HH1      ARG   9 -13.750   5.929   0.395
   84   HH12  ARG   9          2HH1      ARG   9 -15.170   6.308   1.497
   85   HH21  ARG   9          1HH2      ARG   9 -13.666   4.869   4.229
   86   HH22  ARG   9          2HH2      ARG   9 -15.124   5.744   3.535
   87    H    SEP  10           H        SER  10  -7.395   3.818  -1.310
   88    HA   SEP  10           HA       SER  10  -6.890   1.662  -3.489
   89    HB2  SEP  10           1HB      SER  10  -6.313   3.134  -5.232
   90    HB3  SEP  10           2HB      SER  10  -7.719   3.838  -4.469
   91   HOP2  SEP  10          5H        SER  10  -8.149   7.244  -3.204
   92    H    GLY  11           H        GLY  11  -4.899   3.646  -1.393
   93    HA2  GLY  11           1HA      GLY  11  -2.287   2.682  -2.597
   94    HA3  GLY  11           2HA      GLY  11  -2.453   3.800  -1.264
   95    H    LYS  12           H        LYS  12  -3.831   2.567   0.606
   96    HA   LYS  12           HA       LYS  12  -2.358  -0.063   1.226
   97    HB2  LYS  12           1HB      LYS  12  -1.834   0.639   3.502
   98    HB3  LYS  12           2HB      LYS  12  -0.974   1.534   2.275
   99    HG2  LYS  12           1HG      LYS  12  -2.549   3.496   2.611
  100    HG3  LYS  12           2HG      LYS  12  -3.393   2.606   3.877
  101    HD2  LYS  12           1HD      LYS  12  -1.284   2.480   5.214
  102    HD3  LYS  12           2HD      LYS  12  -0.373   3.288   3.948
  103    HE2  LYS  12           1HE      LYS  12  -2.768   4.587   5.430
  104    HE3  LYS  12           2HE      LYS  12  -1.090   4.740   5.953
  105    HZ1  LYS  12           2HZ      LYS  12  -1.837   6.599   4.567
  106    HZ3  LYS  12           1HZ      LYS  12  -2.087   5.604   3.291
  107    HA   PRO  13           HA       PRO  13  -6.391  -1.726   2.709
  108    HB2  PRO  13           1HB      PRO  13  -6.965  -3.293   0.743
  109    HB3  PRO  13           2HB      PRO  13  -7.358  -1.577   0.597
  110    HG2  PRO  13           1HG      PRO  13  -4.914  -3.010  -0.598
  111    HG3  PRO  13           2HG      PRO  13  -6.101  -1.994  -1.429
  112    HD2  PRO  13           1HD      PRO  13  -3.660  -1.064  -0.406
  113    HD3  PRO  13           2HD      PRO  13  -5.079   0.001  -0.588
  114    H    ARG  14           H        ARG  14  -5.578  -3.865   1.498
  115    HA   ARG  14           HA       ARG  14  -3.462  -5.370   3.009
  116    HB2  ARG  14           1HB      ARG  14  -3.300  -7.006   1.152
  117    HB3  ARG  14           2HB      ARG  14  -4.915  -6.587   1.697
  118    HG2  ARG  14           1HG      ARG  14  -5.219  -6.913  -0.597
  119    HG3  ARG  14           2HG      ARG  14  -5.294  -5.198  -0.363
  120    HD2  ARG  14           1HD      ARG  14  -4.056  -5.419  -2.335
  121    HD3  ARG  14           2HD      ARG  14  -2.773  -5.110  -1.173
  122   HH11  ARG  14          1HH2      ARG  14  -2.068  -5.339  -3.455
  123   HH12  ARG  14          2HH2      ARG  14  -1.068  -6.495  -4.472
  124   HH21  ARG  14          1HH1      ARG  14  -1.931  -9.212  -2.556
  125   HH22  ARG  14          2HH1      ARG  14  -0.995  -8.551  -3.994
  126    H    GLY  15           H        GLY  15  -3.200  -3.484   1.292
  127    HA2  GLY  15           1HA      GLY  15  -0.307  -3.156   0.164
  128    HA3  GLY  15           2HA      GLY  15  -1.455  -1.855   0.012
  129    H    TYR  16           H        TYR  16  -1.714  -2.731   3.179
  130    HA   TYR  16           HA       TYR  16  -0.022  -0.661   4.280
  131    HB2  TYR  16           1HB      TYR  16  -1.671  -2.842   5.418
  132    HB3  TYR  16           2HB      TYR  16  -0.321  -2.556   6.404
  133    HD1  TYR  16           1HD      TYR  16   0.124  -0.319   7.508
  134    HD2  TYR  16           2HD      TYR  16  -3.530  -1.037   5.356
  135    HE1  TYR  16           1HE      TYR  16  -0.892   1.660   8.550
  136    HE2  TYR  16           2HE      TYR  16  -4.526   0.947   6.388
  137    HH   TYR  16           HH       TYR  16  -2.689   2.959   8.682
  138    H    ALA  17           H        ALA  17   0.457  -3.225   4.106
  139    HA   ALA  17           HA       ALA  17   3.573  -3.327   4.022
  140    HB1  ALA  17           1HB      ALA  17   2.057  -5.965   4.434
  141    HB2  ALA  17           2HB      ALA  17   3.806  -5.803   4.144
  142    HB3  ALA  17           3HB      ALA  17   3.085  -5.122   5.619
  143    H    PHE  18           H        PHE  18   3.407  -2.298   2.027
  144    HA   PHE  18           HA       PHE  18   2.126  -3.647  -0.315
  145    HB2  PHE  18           1HB      PHE  18   2.468  -1.001   0.173
  146    HB3  PHE  18           2HB      PHE  18   3.972  -1.236  -0.638
  147    HD1  PHE  18           2HD      PHE  18   3.943  -2.043  -3.127
  148    HD2  PHE  18           1HD      PHE  18   0.363  -0.928  -1.023
  149    HE1  PHE  18           2HE      PHE  18   2.729  -1.888  -5.256
  150    HE2  PHE  18           1HE      PHE  18  -0.847  -0.807  -3.158
  151    HZ   PHE  18           HZ       PHE  18   0.330  -1.287  -5.280
  152    H    ILE  19           H        ILE  19   5.415  -3.548   0.908
  153    HA   ILE  19           HA       ILE  19   6.790  -3.891  -1.451
  154    HB   ILE  19           HB       ILE  19   8.039  -5.391   0.797
  155   HG12  ILE  19          1HG1      ILE  19   8.884  -3.181   1.957
  156   HG13  ILE  19          2HG1      ILE  19   7.457  -2.426   1.274
  157   HG21  ILE  19          1HG2      ILE  19  10.141  -4.157   0.219
  158   HG22  ILE  19          2HG2      ILE  19   9.406  -4.822  -1.245
  159   HG23  ILE  19          3HG2      ILE  19   9.243  -3.089  -0.885
  160   HD11  ILE  19          3HD1      ILE  19   7.463  -4.948   3.104
  161   HD12  ILE  19          1HD1      ILE  19   7.151  -3.288   3.654
  162   HD13  ILE  19          2HD1      ILE  19   6.002  -4.092   2.571
  163    H    GLU  20           H        GLU  20   5.753  -5.911  -0.143
  164    HA   GLU  20           HA       GLU  20   6.306  -8.456  -1.851
  165    HB2  GLU  20           1HB      GLU  20   5.504  -8.395   1.099
  166    HB3  GLU  20           2HB      GLU  20   4.637  -9.531   0.139
  167    HG2  GLU  20           1HG      GLU  20   6.827 -10.572  -0.659
  168    HG3  GLU  20           2HG      GLU  20   7.733  -9.383   0.271
  169    HE2  GLU  20           HE       GLU  20   7.538  -9.384   2.415
  170    H    TYR  21           H        TYR  21   3.607  -7.232  -0.042
  171    HA   TYR  21           HA       TYR  21   1.722  -7.819  -2.424
  172    HB2  TYR  21           1HB      TYR  21   0.146  -8.868  -1.077
  173    HB3  TYR  21           2HB      TYR  21   1.678  -9.591  -0.748
  174    HD1  TYR  21           2HD      TYR  21   2.915  -8.854   1.517
  175    HD2  TYR  21           1HD      TYR  21  -1.257  -8.170   0.726
  176    HE1  TYR  21           2HE      TYR  21   2.483  -8.674   3.924
  177    HE2  TYR  21           1HE      TYR  21  -1.679  -8.006   3.138
  178    HH   TYR  21           HH       TYR  21  -0.791  -8.044   5.173
  179    HXT  TYR  21           HO       TYR  21   2.163  -5.748  -2.927
  Start of MODEL    5
    1    H1   ARG   1           H        ARG   1   5.834  -0.333   6.926
    2    HA   ARG   1           HA       ARG   1   8.228   0.611   5.750
    3    HB2  ARG   1           1HB      ARG   1   9.144  -1.529   6.786
    4    HB3  ARG   1           2HB      ARG   1   8.075  -2.473   5.758
    5    HG2  ARG   1           1HG      ARG   1   9.251  -1.468   3.702
    6    HG3  ARG   1           2HG      ARG   1  10.269  -0.528   4.778
    7    HD2  ARG   1           1HD      ARG   1  11.580  -2.393   4.080
    8    HD3  ARG   1           2HD      ARG   1  11.196  -2.695   5.778
    9   HH11  ARG   1          1HH2      ARG   1  12.663  -4.278   4.434
   10   HH12  ARG   1          2HH2      ARG   1  12.585  -6.047   3.945
   11   HH21  ARG   1          1HH1      ARG   1   9.154  -6.034   3.776
   12   HH22  ARG   1          2HH1      ARG   1  10.720  -6.981   3.596
   13    H    ILE   2           H        ILE   2   7.778   1.114   3.711
   14    HA   ILE   2           HA       ILE   2   5.511  -0.241   2.190
   15    HB   ILE   2           HB       ILE   2   4.754   2.045   1.338
   16   HG12  ILE   2          1HG1      ILE   2   5.985   3.242   3.890
   17   HG13  ILE   2          2HG1      ILE   2   6.795   3.336   2.337
   18   HG21  ILE   2          1HG2      ILE   2   4.128   1.386   4.267
   19   HG22  ILE   2          2HG2      ILE   2   3.137   2.375   3.165
   20   HG23  ILE   2          3HG2      ILE   2   3.378   0.656   2.827
   21   HD11  ILE   2          3HD1      ILE   2   4.891   4.607   1.334
   22   HD12  ILE   2          1HD1      ILE   2   4.006   4.536   2.884
   23   HD13  ILE   2          2HD1      ILE   2   5.542   5.425   2.772
   24    H    HIS   3           H        HIS   3   5.454   0.021   0.042
   25    HA   HIS   3           HA       HIS   3   8.119   0.617  -1.365
   26    HB2  HIS   3           1HB      HIS   3   7.323  -1.765  -1.362
   27    HB3  HIS   3           2HB      HIS   3   5.872  -1.324  -2.195
   28    HD2  HIS   3           2HD      HIS   3   5.979  -1.049  -4.847
   29    HE1  HIS   3           1HE      HIS   3  10.043  -1.793  -5.367
   30    HE2  HIS   3           2HE      HIS   3   7.849  -1.502  -6.682
   31    H    MET   4           H        MET   4   4.766   0.428  -2.369
   32    HA   MET   4           HA       MET   4   4.711   3.345  -3.341
   33    HB2  MET   4           1HB      MET   4   5.658   1.895  -5.243
   34    HB3  MET   4           2HB      MET   4   4.142   1.005  -5.274
   35    HG2  MET   4           1HG      MET   4   2.914   3.165  -5.859
   36    HG3  MET   4           2HG      MET   4   4.461   4.040  -5.802
   37    HE1  MET   4           3HE      MET   4   2.595   4.114  -8.332
   38    HE2  MET   4           1HE      MET   4   4.208   4.891  -8.324
   39    HE3  MET   4           2HE      MET   4   3.740   3.812  -9.672
   40    H    VAL   5           H        VAL   5   3.473   3.509  -1.527
   41    HA   VAL   5           HA       VAL   5   0.623   2.589  -1.884
   42    HB   VAL   5           HB       VAL   5  -0.134   3.728  -0.013
   43   HG11  VAL   5          1HG1      VAL   5   0.633   1.420   0.291
   44   HG12  VAL   5          2HG1      VAL   5   2.292   1.953   0.653
   45   HG13  VAL   5          3HG1      VAL   5   0.964   2.334   1.772
   46   HG21  VAL   5          3HG2      VAL   5   1.277   5.730   0.224
   47   HG22  VAL   5          1HG2      VAL   5   1.349   4.813   1.733
   48   HG23  VAL   5          2HG2      VAL   5   2.714   4.749   0.584
   49    H    TYR   6           H        TYR   6  -0.740   3.699  -2.458
   50    HA   TYR   6           HA       TYR   6  -0.488   6.156  -4.130
   51    HB2  TYR   6           1HB      TYR   6  -2.801   4.238  -3.950
   52    HB3  TYR   6           2HB      TYR   6  -2.802   5.667  -4.908
   53    HD1  TYR   6           1HD      TYR   6  -1.255   2.283  -4.527
   54    HD2  TYR   6           2HD      TYR   6  -1.448   5.782  -7.027
   55    HE1  TYR   6           1HE      TYR   6  -0.080   1.079  -6.313
   56    HE2  TYR   6           2HE      TYR   6  -0.280   4.558  -8.811
   57    HH   TYR   6           HH       TYR   6   0.657   2.639  -9.425
   58    H    SER   7           H        SER   7  -2.390   5.520  -2.427
   59    HA   SER   7           HA       SER   7  -2.548   7.828  -0.472
   60    HB2  SER   7           1HB      SER   7  -5.351   7.206  -1.609
   61    HB3  SER   7           2HB      SER   7  -4.950   8.430  -0.401
   62    HG   SER   7           HG       SER   7  -4.327   8.347  -3.133
   63    H    LYS   8           H        LYS   8  -5.107   6.949   0.904
   64    HA   LYS   8           HA       LYS   8  -3.969   4.582   2.434
   65    HB2  LYS   8           1HB      LYS   8  -4.735   6.707   3.615
   66    HB3  LYS   8           2HB      LYS   8  -6.390   6.335   3.150
   67    HG2  LYS   8           1HG      LYS   8  -6.241   4.161   4.470
   68    HG3  LYS   8           2HG      LYS   8  -4.563   4.523   4.874
   69    HD2  LYS   8           1HD      LYS   8  -5.325   6.647   6.040
   70    HD3  LYS   8           2HD      LYS   8  -6.999   6.265   5.671
   71    HE2  LYS   8           1HE      LYS   8  -5.126   4.482   7.387
   72    HE3  LYS   8           2HE      LYS   8  -6.230   5.691   8.038
   73    HZ1  LYS   8           2HZ      LYS   8  -8.082   4.469   7.019
   74    HZ3  LYS   8           1HZ      LYS   8  -7.280   3.594   8.143
   75    H    ARG   9           H        ARG   9  -6.730   5.262   0.285
   76    HA   ARG   9           HA       ARG   9  -7.970   2.643   0.973
   77    HB2  ARG   9           1HB      ARG   9  -9.063   5.194  -0.144
   78    HB3  ARG   9           2HB      ARG   9  -9.760   3.743  -0.767
   79    HG2  ARG   9           1HG      ARG   9 -11.150   4.401   1.095
   80    HG3  ARG   9           2HG      ARG   9 -10.294   2.953   1.599
   81    HD2  ARG   9           1HD      ARG   9  -8.554   4.601   2.772
   82    HD3  ARG   9           2HD      ARG   9  -9.698   5.876   2.413
   83   HH11  ARG   9          1HH2      ARG   9  -8.549   2.739   3.672
   84   HH12  ARG   9          2HH2      ARG   9  -9.027   1.869   5.216
   85   HH21  ARG   9          1HH1      ARG   9 -11.668   3.985   5.808
   86   HH22  ARG   9          2HH1      ARG   9 -10.686   2.528   6.348
   87    H    SEP  10           H        SER  10  -7.291   3.830  -1.267
   88    HA   SEP  10           HA       SER  10  -6.965   1.671  -3.478
   89    HB2  SEP  10           1HB      SER  10  -6.056   3.178  -5.149
   90    HB3  SEP  10           2HB      SER  10  -7.578   3.802  -4.528
   91   HOP2  SEP  10          5H        SER  10  -7.558   6.976  -4.506
   92    H    GLY  11           H        GLY  11  -4.817   3.609  -1.492
   93    HA2  GLY  11           1HA      GLY  11  -2.328   2.152  -2.434
   94    HA3  GLY  11           2HA      GLY  11  -2.368   3.448  -1.277
   95    H    LYS  12           H        LYS  12  -4.246   2.335   0.589
   96    HA   LYS  12           HA       LYS  12  -2.753  -0.179   1.607
   97    HB2  LYS  12           1HB      LYS  12  -3.714   2.174   3.372
   98    HB3  LYS  12           2HB      LYS  12  -3.009   0.674   3.933
   99    HG2  LYS  12           1HG      LYS  12  -0.838   1.227   2.794
  100    HG3  LYS  12           2HG      LYS  12  -1.506   2.770   2.257
  101    HD2  LYS  12           1HD      LYS  12  -1.878   3.503   4.614
  102    HD3  LYS  12           2HD      LYS  12  -1.359   1.931   5.218
  103    HE2  LYS  12           1HE      LYS  12   0.955   2.293   4.265
  104    HE3  LYS  12           2HE      LYS  12   0.457   3.888   3.671
  105    HZ1  LYS  12           2HZ      LYS  12  -0.008   4.541   5.954
  106    HZ3  LYS  12           1HZ      LYS  12   1.550   4.072   5.787
  107    HA   PRO  13           HA       PRO  13  -6.798  -2.231   2.213
  108    HB2  PRO  13           1HB      PRO  13  -6.959  -3.703   0.101
  109    HB3  PRO  13           2HB      PRO  13  -7.493  -2.023  -0.017
  110    HG2  PRO  13           1HG      PRO  13  -4.776  -3.158  -0.906
  111    HG3  PRO  13           2HG      PRO  13  -5.927  -2.221  -1.860
  112    HD2  PRO  13           1HD      PRO  13  -3.757  -1.132  -0.443
  113    HD3  PRO  13           2HD      PRO  13  -5.231  -0.184  -0.801
  114    H    ARG  14           H        ARG  14  -5.656  -4.218   1.021
  115    HA   ARG  14           HA       ARG  14  -3.616  -5.612   2.717
  116    HB2  ARG  14           1HB      ARG  14  -3.130  -7.147   0.835
  117    HB3  ARG  14           2HB      ARG  14  -4.830  -6.849   1.175
  118    HG2  ARG  14           1HG      ARG  14  -4.845  -7.056  -1.142
  119    HG3  ARG  14           2HG      ARG  14  -4.971  -5.341  -0.873
  120    HD2  ARG  14           1HD      ARG  14  -2.310  -5.325  -1.271
  121    HD3  ARG  14           2HD      ARG  14  -2.532  -6.970  -1.819
  122   HH11  ARG  14          1HH2      ARG  14  -2.251  -3.578  -2.011
  123   HH12  ARG  14          2HH2      ARG  14  -2.486  -2.470  -3.456
  124   HH21  ARG  14          1HH1      ARG  14  -4.185  -4.850  -5.247
  125   HH22  ARG  14          2HH1      ARG  14  -3.509  -3.143  -5.169
  126    H    GLY  15           H        GLY  15  -3.285  -3.632   1.118
  127    HA2  GLY  15           1HA      GLY  15  -0.351  -3.180   0.149
  128    HA3  GLY  15           2HA      GLY  15  -1.545  -1.936  -0.093
  129    H    TYR  16           H        TYR  16  -1.922  -2.773   3.061
  130    HA   TYR  16           HA       TYR  16  -0.629  -0.543   4.239
  131    HB2  TYR  16           1HB      TYR  16  -1.736  -3.074   5.323
  132    HB3  TYR  16           2HB      TYR  16  -0.512  -2.473   6.337
  133    HD1  TYR  16           2HD      TYR  16  -0.621  -0.035   7.256
  134    HD2  TYR  16           1HD      TYR  16  -4.010  -1.986   5.466
  135    HE1  TYR  16           2HE      TYR  16  -2.125   1.633   8.257
  136    HE2  TYR  16           1HE      TYR  16  -5.494  -0.294   6.433
  137    HH   TYR  16           HH       TYR  16  -5.629   1.575   7.630
  138    H    ALA  17           H        ALA  17   0.438  -2.924   4.051
  139    HA   ALA  17           HA       ALA  17   3.478  -2.301   3.968
  140    HB1  ALA  17           1HB      ALA  17   4.332  -4.612   4.282
  141    HB2  ALA  17           2HB      ALA  17   3.417  -4.067   5.699
  142    HB3  ALA  17           3HB      ALA  17   2.682  -5.219   4.555
  143    H    PHE  18           H        PHE  18   3.468  -1.656   1.885
  144    HA   PHE  18           HA       PHE  18   2.150  -3.217  -0.278
  145    HB2  PHE  18           1HB      PHE  18   2.478  -0.548   0.034
  146    HB3  PHE  18           2HB      PHE  18   3.944  -0.807  -0.848
  147    HD1  PHE  18           1HD      PHE  18   3.768  -1.685  -3.306
  148    HD2  PHE  18           2HD      PHE  18   0.295  -0.674  -0.986
  149    HE1  PHE  18           1HE      PHE  18   2.403  -1.651  -5.349
  150    HE2  PHE  18           2HE      PHE  18  -1.055  -0.619  -3.039
  151    HZ   PHE  18           HZ       PHE  18  -0.011  -1.130  -5.222
  152    H    ILE  19           H        ILE  19   5.388  -3.375   0.889
  153    HA   ILE  19           HA       ILE  19   6.719  -3.949  -1.511
  154    HB   ILE  19           HB       ILE  19   7.857  -5.425   0.803
  155   HG12  ILE  19          1HG1      ILE  19   8.922  -3.280   1.846
  156   HG13  ILE  19          2HG1      ILE  19   7.590  -2.395   1.132
  157   HG21  ILE  19          1HG2      ILE  19   9.208  -5.089  -1.297
  158   HG22  ILE  19          2HG2      ILE  19   9.214  -3.331  -1.024
  159   HG23  ILE  19          3HG2      ILE  19  10.042  -4.422   0.114
  160   HD11  ILE  19          3HD1      ILE  19   7.303  -4.814   3.074
  161   HD12  ILE  19          1HD1      ILE  19   7.210  -3.110   3.553
  162   HD13  ILE  19          2HD1      ILE  19   5.955  -3.801   2.516
  163    H    GLU  20           H        GLU  20   5.488  -5.710  -0.022
  164    HA   GLU  20           HA       GLU  20   5.598  -8.490  -1.432
  165    HB2  GLU  20           1HB      GLU  20   4.489  -7.812   1.353
  166    HB3  GLU  20           2HB      GLU  20   3.581  -8.949   0.435
  167    HG2  GLU  20           1HG      GLU  20   5.639 -10.427   0.162
  168    HG3  GLU  20           2HG      GLU  20   6.594  -9.261   1.076
  169    HE2  GLU  20           HE       GLU  20   6.130  -8.930   3.131
  170    H    TYR  21           H        TYR  21   3.107  -6.522  -0.064
  171    HA   TYR  21           HA       TYR  21   1.118  -7.449  -2.127
  172    HB2  TYR  21           1HB      TYR  21   0.615  -5.783   0.395
  173    HB3  TYR  21           2HB      TYR  21  -0.593  -6.577  -0.561
  174    HD1  TYR  21           2HD      TYR  21  -0.398  -9.232  -0.838
  175    HD2  TYR  21           1HD      TYR  21   1.529  -6.986   2.288
  176    HE1  TYR  21           2HE      TYR  21  -0.125 -11.286   0.488
  177    HE2  TYR  21           1HE      TYR  21   1.800  -9.043   3.593
  178    HH   TYR  21           HH       TYR  21   1.524 -11.247   3.643
  179    HXT  TYR  21           HO       TYR  21   2.335  -6.180  -3.610
  Start of MODEL    6
    1    H1   ARG   1           H        ARG   1   6.509  -0.359   6.800
    2    HA   ARG   1           HA       ARG   1   8.788   0.350   5.272
    3    HB2  ARG   1           1HB      ARG   1   9.666  -1.841   6.249
    4    HB3  ARG   1           2HB      ARG   1   8.372  -2.703   5.427
    5    HG2  ARG   1           1HG      ARG   1   9.315  -1.751   3.189
    6    HG3  ARG   1           2HG      ARG   1  10.657  -1.080   4.112
    7    HD2  ARG   1           1HD      ARG   1  11.303  -3.417   4.873
    8    HD3  ARG   1           2HD      ARG   1   9.899  -4.077   4.011
    9   HH11  ARG   1          2HH2      ARG   1  11.131  -5.712   3.497
   10   HH12  ARG   1          1HH2      ARG   1  12.062  -6.431   2.087
   11   HH21  ARG   1          1HH1      ARG   1  12.737  -3.353   0.725
   12   HH22  ARG   1          2HH1      ARG   1  12.916  -5.178   0.615
   13    H    ILE   2           H        ILE   2   7.969   0.975   3.397
   14    HA   ILE   2           HA       ILE   2   5.751  -0.570   2.041
   15    HB   ILE   2           HB       ILE   2   4.555   1.388   1.250
   16   HG12  ILE   2          1HG1      ILE   2   6.131   3.242   1.429
   17   HG13  ILE   2          2HG1      ILE   2   4.565   3.595   2.113
   18   HG21  ILE   2          1HG2      ILE   2   4.417   1.080   4.283
   19   HG22  ILE   2          2HG2      ILE   2   3.169   1.820   3.253
   20   HG23  ILE   2          3HG2      ILE   2   3.590   0.111   3.041
   21   HD11  ILE   2          3HD1      ILE   2   5.533   3.298   4.469
   22   HD12  ILE   2          1HD1      ILE   2   7.142   3.069   3.732
   23   HD13  ILE   2          2HD1      ILE   2   6.284   4.607   3.529
   24    H    HIS   3           H        HIS   3   5.649  -0.416  -0.095
   25    HA   HIS   3           HA       HIS   3   8.159   0.412  -1.607
   26    HB2  HIS   3           1HB      HIS   3   7.183  -1.888  -1.886
   27    HB3  HIS   3           2HB      HIS   3   5.718  -1.232  -2.524
   28    HD2  HIS   3           2HD      HIS   3   5.687  -0.476  -5.106
   29    HE1  HIS   3           1HE      HIS   3   9.600  -1.537  -6.057
   30    HE2  HIS   3           2HE      HIS   3   7.380  -0.800  -7.132
   31    H    MET   4           H        MET   4   4.743   0.594  -2.378
   32    HA   MET   4           HA       MET   4   4.770   3.626  -2.720
   33    HB2  MET   4           1HB      MET   4   5.637   2.546  -4.940
   34    HB3  MET   4           2HB      MET   4   4.015   1.926  -5.180
   35    HG2  MET   4           1HG      MET   4   4.779   4.913  -4.847
   36    HG3  MET   4           2HG      MET   4   4.497   4.100  -6.393
   37    HE1  MET   4           3HE      MET   4   2.993   6.765  -4.906
   38    HE2  MET   4           1HE      MET   4   2.791   6.348  -6.640
   39    HE3  MET   4           2HE      MET   4   1.357   6.552  -5.590
   40    H    VAL   5           H        VAL   5   3.448   3.697  -1.065
   41    HA   VAL   5           HA       VAL   5   0.628   2.743  -1.518
   42    HB   VAL   5           HB       VAL   5  -0.211   3.887   0.326
   43   HG11  VAL   5          1HG1      VAL   5   2.148   2.095   1.151
   44   HG12  VAL   5          2HG1      VAL   5   0.686   2.425   2.124
   45   HG13  VAL   5          3HG1      VAL   5   0.562   1.540   0.592
   46   HG21  VAL   5          3HG2      VAL   5   1.173   4.919   2.159
   47   HG22  VAL   5          1HG2      VAL   5   2.631   4.800   1.133
   48   HG23  VAL   5          2HG2      VAL   5   1.274   5.850   0.659
   49    H    TYR   6           H        TYR   6  -0.729   3.840  -2.140
   50    HA   TYR   6           HA       TYR   6  -0.463   6.329  -3.771
   51    HB2  TYR   6           1HB      TYR   6  -2.777   4.408  -3.655
   52    HB3  TYR   6           2HB      TYR   6  -2.793   5.859  -4.585
   53    HD1  TYR   6           2HD      TYR   6  -1.338   6.076  -6.645
   54    HD2  TYR   6           1HD      TYR   6  -1.319   2.450  -4.325
   55    HE1  TYR   6           2HE      TYR   6  -0.181   4.905  -8.468
   56    HE2  TYR   6           1HE      TYR   6  -0.155   1.297  -6.156
   57    HH   TYR   6           HH       TYR   6   0.694   2.986  -9.169
   58    H    SER   7           H        SER   7  -2.391   5.681  -2.109
   59    HA   SER   7           HA       SER   7  -2.312   7.426   0.143
   60    HB2  SER   7           1HB      SER   7  -3.372   9.201  -1.278
   61    HB3  SER   7           2HB      SER   7  -4.892   8.305  -1.297
   62    HG   SER   7           HG       SER   7  -3.512   9.325   0.975
   63    H    LYS   8           H        LYS   8  -5.702   6.884   0.092
   64    HA   LYS   8           HA       LYS   8  -5.313   4.741   2.170
   65    HB2  LYS   8           1HB      LYS   8  -7.813   6.360   1.454
   66    HB3  LYS   8           2HB      LYS   8  -7.758   5.107   2.685
   67    HG2  LYS   8           1HG      LYS   8  -5.968   6.363   3.941
   68    HG3  LYS   8           2HG      LYS   8  -6.028   7.654   2.740
   69    HD2  LYS   8           1HD      LYS   8  -8.473   8.047   3.277
   70    HD3  LYS   8           2HD      LYS   8  -8.415   6.755   4.482
   71    HE2  LYS   8           1HE      LYS   8  -6.640   8.042   5.779
   72    HE3  LYS   8           2HE      LYS   8  -6.701   9.338   4.574
   73    HZ1  LYS   8           2HZ      LYS   8  -9.005   8.432   6.220
   74    HZ3  LYS   8           1HZ      LYS   8  -9.062   9.629   5.108
   75    H    ARG   9           H        ARG   9  -7.604   4.983  -0.586
   76    HA   ARG   9           HA       ARG   9  -8.408   2.245  -0.208
   77    HB2  ARG   9           1HB      ARG   9  -9.277   4.462  -2.023
   78    HB3  ARG   9           2HB      ARG   9  -9.643   2.876  -2.574
   79    HG2  ARG   9           1HG      ARG   9 -10.481   3.981   0.196
   80    HG3  ARG   9           2HG      ARG   9 -11.479   4.076  -1.250
   81    HD2  ARG   9           1HD      ARG   9 -11.551   1.552  -1.410
   82    HD3  ARG   9           2HD      ARG   9 -10.556   1.426   0.052
   83   HH11  ARG   9          1HH2      ARG   9 -12.157  -0.290  -0.028
   84   HH12  ARG   9          2HH2      ARG   9 -13.623  -0.817   0.943
   85   HH21  ARG   9          1HH1      ARG   9 -14.481   2.410   1.743
   86   HH22  ARG   9          2HH1      ARG   9 -14.859   0.617   1.884
   87    H    SEP  10           H        SER  10  -7.172   3.295  -2.270
   88    HA   SEP  10           HA       SER  10  -5.981   1.011  -4.031
   89    HB2  SEP  10           1HB      SER  10  -6.609   3.065  -5.326
   90    HB3  SEP  10           2HB      SER  10  -5.351   3.990  -4.496
   91   HOP2  SEP  10          5H        SER  10  -2.543   2.776  -7.534
   92    H    GLY  11           H        GLY  11  -4.823   3.073  -1.441
   93    HA2  GLY  11           1HA      GLY  11  -1.902   2.381  -1.986
   94    HA3  GLY  11           2HA      GLY  11  -2.456   3.593  -0.864
   95    H    LYS  12           H        LYS  12  -4.066   2.422   0.864
   96    HA   LYS  12           HA       LYS  12  -2.632  -0.082   1.907
   97    HB2  LYS  12           1HB      LYS  12  -2.538   0.814   4.252
   98    HB3  LYS  12           2HB      LYS  12  -1.386   1.409   3.098
   99    HG2  LYS  12           1HG      LYS  12  -1.982   3.242   4.514
  100    HG3  LYS  12           2HG      LYS  12  -2.534   3.584   2.898
  101    HD2  LYS  12           1HD      LYS  12  -4.282   4.371   4.285
  102    HD3  LYS  12           2HD      LYS  12  -4.903   2.891   3.599
  103    HE2  LYS  12           1HE      LYS  12  -5.570   2.853   5.894
  104    HE3  LYS  12           2HE      LYS  12  -4.265   1.675   5.798
  105    HZ1  LYS  12           2HZ      LYS  12  -2.754   3.391   6.653
  106    HZ3  LYS  12           1HZ      LYS  12  -3.970   3.076   7.696
  107    HA   PRO  13           HA       PRO  13  -6.638  -1.937   2.916
  108    HB2  PRO  13           1HB      PRO  13  -7.018  -3.434   0.859
  109    HB3  PRO  13           2HB      PRO  13  -7.497  -1.739   0.740
  110    HG2  PRO  13           1HG      PRO  13  -4.908  -3.005  -0.334
  111    HG3  PRO  13           2HG      PRO  13  -6.093  -2.031  -1.210
  112    HD2  PRO  13           1HD      PRO  13  -3.772  -1.011   0.019
  113    HD3  PRO  13           2HD      PRO  13  -5.218  -0.004  -0.264
  114    H    ARG  14           H        ARG  14  -5.664  -3.986   1.680
  115    HA   ARG  14           HA       ARG  14  -3.556  -5.401   3.261
  116    HB2  ARG  14           1HB      ARG  14  -3.291  -7.049   1.480
  117    HB3  ARG  14           2HB      ARG  14  -4.990  -6.635   1.740
  118    HG2  ARG  14           1HG      ARG  14  -5.080  -5.303  -0.334
  119    HG3  ARG  14           2HG      ARG  14  -3.351  -5.519  -0.603
  120    HD2  ARG  14           1HD      ARG  14  -3.714  -8.037  -0.858
  121    HD3  ARG  14           2HD      ARG  14  -5.431  -7.798  -0.583
  122   HH11  ARG  14          1HH2      ARG  14  -2.252  -7.176  -2.155
  123   HH12  ARG  14          2HH2      ARG  14  -1.887  -6.868  -3.929
  124   HH21  ARG  14          1HH1      ARG  14  -5.207  -6.566  -4.744
  125   HH22  ARG  14          2HH1      ARG  14  -3.457  -6.541  -5.303
  126    H    GLY  15           H        GLY  15  -3.279  -3.524   1.522
  127    HA2  GLY  15           1HA      GLY  15  -0.403  -3.148   0.363
  128    HA3  GLY  15           2HA      GLY  15  -1.583  -1.881   0.208
  129    H    TYR  16           H        TYR  16  -1.763  -2.732   3.370
  130    HA   TYR  16           HA       TYR  16  -0.370  -0.593   4.556
  131    HB2  TYR  16           1HB      TYR  16  -1.380  -3.233   5.536
  132    HB3  TYR  16           2HB      TYR  16  -0.111  -2.653   6.500
  133    HD1  TYR  16           2HD      TYR  16  -0.312  -0.012   7.267
  134    HD2  TYR  16           1HD      TYR  16  -3.610  -2.586   6.257
  135    HE1  TYR  16           2HE      TYR  16  -1.819   1.360   8.642
  136    HE2  TYR  16           1HE      TYR  16  -5.105  -1.193   7.610
  137    HH   TYR  16           HH       TYR  16  -5.280   0.577   8.939
  138    H    ALA  17           H        ALA  17   0.680  -2.950   4.123
  139    HA   ALA  17           HA       ALA  17   3.700  -2.325   3.879
  140    HB1  ALA  17           1HB      ALA  17   3.765  -4.150   5.551
  141    HB2  ALA  17           2HB      ALA  17   2.963  -5.269   4.419
  142    HB3  ALA  17           3HB      ALA  17   4.587  -4.640   4.059
  143    H    PHE  18           H        PHE  18   3.576  -1.631   1.826
  144    HA   PHE  18           HA       PHE  18   2.062  -3.059  -0.280
  145    HB2  PHE  18           1HB      PHE  18   2.523  -0.428   0.070
  146    HB3  PHE  18           2HB      PHE  18   3.934  -0.716  -0.893
  147    HD1  PHE  18           1HD      PHE  18   0.266  -0.629  -0.814
  148    HD2  PHE  18           2HD      PHE  18   3.622  -1.377  -3.382
  149    HE1  PHE  18           1HE      PHE  18  -1.204  -0.474  -2.785
  150    HE2  PHE  18           2HE      PHE  18   2.147  -1.238  -5.342
  151    HZ   PHE  18           HZ       PHE  18  -0.270  -0.802  -5.049
  152    H    ILE  19           H        ILE  19   5.360  -3.424   0.634
  153    HA   ILE  19           HA       ILE  19   6.457  -4.060  -1.889
  154    HB   ILE  19           HB       ILE  19   7.679  -5.627   0.311
  155   HG12  ILE  19          1HG1      ILE  19   8.965  -3.581   1.307
  156   HG13  ILE  19          2HG1      ILE  19   7.632  -2.601   0.730
  157   HG21  ILE  19          1HG2      ILE  19   8.872  -5.325  -1.889
  158   HG22  ILE  19          2HG2      ILE  19   9.011  -3.576  -1.586
  159   HG23  ILE  19          3HG2      ILE  19   9.862  -4.742  -0.542
  160   HD11  ILE  19          3HD1      ILE  19   7.405  -5.037   2.659
  161   HD12  ILE  19          1HD1      ILE  19   7.364  -3.329   3.143
  162   HD13  ILE  19          2HD1      ILE  19   6.037  -4.007   2.189
  163    H    GLU  20           H        GLU  20   5.220  -5.702  -0.269
  164    HA   GLU  20           HA       GLU  20   5.089  -8.550  -1.534
  165    HB2  GLU  20           1HB      GLU  20   4.189  -7.632   1.263
  166    HB3  GLU  20           2HB      GLU  20   3.174  -8.763   0.479
  167    HG2  GLU  20           1HG      GLU  20   4.704 -10.035   1.842
  168    HG3  GLU  20           2HG      GLU  20   5.162 -10.364   0.180
  169    HE2  GLU  20           HE       GLU  20   7.579  -8.271   2.680
  170    H    TYR  21           H        TYR  21   2.786  -6.358  -0.186
  171    HA   TYR  21           HA       TYR  21   0.662  -7.185  -2.211
  172    HB2  TYR  21           1HB      TYR  21   0.353  -5.466   0.315
  173    HB3  TYR  21           2HB      TYR  21  -0.957  -6.013  -0.684
  174    HD1  TYR  21           1HD      TYR  21  -1.351  -8.598  -0.952
  175    HD2  TYR  21           2HD      TYR  21   1.181  -6.914   2.093
  176    HE1  TYR  21           1HE      TYR  21  -1.563 -10.654   0.372
  177    HE2  TYR  21           2HE      TYR  21   0.969  -8.982   3.402
  178    HH   TYR  21           HH       TYR  21  -0.989 -11.718   2.236
  179    HXT  TYR  21           HO       TYR  21   1.383  -4.456  -4.213
  Start of MODEL    7
    1    H1   ARG   1           H        ARG   1   3.937  -0.906   6.196
    2    HA   ARG   1           HA       ARG   1   6.348   0.597   6.049
    3    HB2  ARG   1           1HB      ARG   1   7.285  -1.389   7.285
    4    HB3  ARG   1           2HB      ARG   1   6.811  -2.452   5.968
    5    HG2  ARG   1           1HG      ARG   1   8.345  -1.123   4.406
    6    HG3  ARG   1           2HG      ARG   1   8.844  -0.119   5.757
    7    HD2  ARG   1           1HD      ARG   1   9.221  -3.190   5.601
    8    HD3  ARG   1           2HD      ARG   1  10.442  -2.004   5.130
    9   HH11  ARG   1          1HH2      ARG   1  11.296  -4.023   6.153
   10   HH12  ARG   1          2HH2      ARG   1  12.251  -4.445   7.662
   11   HH21  ARG   1          1HH1      ARG   1  10.834  -1.906   9.490
   12   HH22  ARG   1          2HH1      ARG   1  12.007  -3.320   9.436
   13    H    ILE   2           H        ILE   2   5.621   1.502   4.209
   14    HA   ILE   2           HA       ILE   2   4.631  -0.232   1.913
   15    HB   ILE   2           HB       ILE   2   3.885   1.774   0.753
   16   HG12  ILE   2          1HG1      ILE   2   3.429   3.896   2.288
   17   HG13  ILE   2          2HG1      ILE   2   4.815   3.370   3.213
   18   HG21  ILE   2          1HG2      ILE   2   2.339   0.425   2.148
   19   HG22  ILE   2          2HG2      ILE   2   2.619   1.509   3.531
   20   HG23  ILE   2          3HG2      ILE   2   1.853   2.121   2.043
   21   HD11  ILE   2          3HD1      ILE   2   6.272   3.639   1.145
   22   HD12  ILE   2          1HD1      ILE   2   4.827   4.007   0.172
   23   HD13  ILE   2          2HD1      ILE   2   5.347   5.116   1.460
   24    H    HIS   3           H        HIS   3   5.364  -0.055  -0.107
   25    HA   HIS   3           HA       HIS   3   8.266   0.778  -0.566
   26    HB2  HIS   3           1HB      HIS   3   7.522  -1.554  -1.221
   27    HB3  HIS   3           2HB      HIS   3   6.391  -0.895  -2.356
   28    HD2  HIS   3           2HD      HIS   3   7.316  -0.117  -4.747
   29    HE1  HIS   3           1HE      HIS   3  11.357  -0.910  -4.126
   30    HE2  HIS   3           2HE      HIS   3   9.674  -0.275  -5.967
   31    H    MET   4           H        MET   4   5.371   0.887  -2.545
   32    HA   MET   4           HA       MET   4   5.387   3.941  -2.717
   33    HB2  MET   4           1HB      MET   4   6.912   3.088  -4.585
   34    HB3  MET   4           2HB      MET   4   5.538   2.268  -5.307
   35    HG2  MET   4           1HG      MET   4   5.675   5.319  -4.771
   36    HG3  MET   4           2HG      MET   4   6.114   4.557  -6.306
   37    HE1  MET   4           3HE      MET   4   3.644   6.786  -5.293
   38    HE2  MET   4           1HE      MET   4   4.157   6.606  -7.003
   39    HE3  MET   4           2HE      MET   4   2.437   6.401  -6.551
   40    H    VAL   5           H        VAL   5   3.595   4.115  -1.702
   41    HA   VAL   5           HA       VAL   5   1.118   3.112  -3.157
   42    HB   VAL   5           HB       VAL   5  -0.353   3.993  -1.483
   43   HG11  VAL   5          1HG1      VAL   5   0.132   1.631  -1.549
   44   HG12  VAL   5          2HG1      VAL   5   1.491   1.810  -0.406
   45   HG13  VAL   5          3HG1      VAL   5  -0.190   2.163   0.105
   46   HG21  VAL   5          3HG2      VAL   5   0.971   5.704  -0.284
   47   HG22  VAL   5          1HG2      VAL   5   0.272   4.533   0.836
   48   HG23  VAL   5          2HG2      VAL   5   2.013   4.448   0.425
   49    H    TYR   6           H        TYR   6   0.007   4.319  -3.946
   50    HA   TYR   6           HA       TYR   6  -0.270   7.389  -4.059
   51    HB2  TYR   6           1HB      TYR   6  -2.127   5.270  -5.102
   52    HB3  TYR   6           2HB      TYR   6  -2.393   6.990  -5.146
   53    HD1  TYR   6           2HD      TYR   6  -0.852   8.510  -6.539
   54    HD2  TYR   6           1HD      TYR   6  -0.707   4.219  -6.829
   55    HE1  TYR   6           2HE      TYR   6   0.309   8.687  -8.697
   56    HE2  TYR   6           1HE      TYR   6   0.453   4.412  -8.987
   57    HH   TYR   6           HH       TYR   6   1.225   7.589 -10.398
   58    H    SER   7           H        SER   7  -2.544   6.286  -3.471
   59    HA   SER   7           HA       SER   7  -3.373   7.743  -1.155
   60    HB2  SER   7           1HB      SER   7  -4.896   7.145  -3.128
   61    HB3  SER   7           2HB      SER   7  -5.170   5.557  -2.404
   62    HG   SER   7           HG       SER   7  -6.793   6.785  -1.690
   63    H    LYS   8           H        LYS   8  -4.784   7.095   0.699
   64    HA   LYS   8           HA       LYS   8  -3.557   4.971   2.420
   65    HB2  LYS   8           1HB      LYS   8  -4.285   7.195   3.333
   66    HB3  LYS   8           2HB      LYS   8  -5.967   6.766   3.037
   67    HG2  LYS   8           1HG      LYS   8  -5.725   4.796   4.626
   68    HG3  LYS   8           2HG      LYS   8  -4.024   5.193   4.861
   69    HD2  LYS   8           1HD      LYS   8  -4.691   7.456   5.806
   70    HD3  LYS   8           2HD      LYS   8  -6.395   7.034   5.589
   71    HE2  LYS   8           1HE      LYS   8  -6.095   5.049   7.166
   72    HE3  LYS   8           2HE      LYS   8  -4.392   5.482   7.381
   73    HZ1  LYS   8           2HZ      LYS   8  -5.120   7.637   8.253
   74    HZ3  LYS   8           1HZ      LYS   8  -6.692   7.239   8.053
   75    H    ARG   9           H        ARG   9  -6.802   5.432   0.918
   76    HA   ARG   9           HA       ARG   9  -7.676   2.786   1.816
   77    HB2  ARG   9           1HB      ARG   9  -9.028   5.190   0.671
   78    HB3  ARG   9           2HB      ARG   9  -9.747   3.690   0.230
   79    HG2  ARG   9           1HG      ARG   9 -10.051   3.059   2.675
   80    HG3  ARG   9           2HG      ARG   9  -9.209   4.527   3.153
   81    HD2  ARG   9           1HD      ARG   9 -11.561   4.938   3.437
   82    HD3  ARG   9           2HD      ARG   9 -11.035   5.951   2.114
   83   HH11  ARG   9          1HH2      ARG   9 -11.251   6.061   0.111
   84   HH12  ARG   9          2HH2      ARG   9 -12.334   5.726  -1.329
   85   HH21  ARG   9          1HH1      ARG   9 -14.019   3.210   0.299
   86   HH22  ARG   9          2HH1      ARG   9 -13.825   4.231  -1.217
   87    H    SEP  10           H        SER  10  -7.365   3.809  -0.592
   88    HA   SEP  10           HA       SER  10  -7.768   1.560  -2.710
   89    HB2  SEP  10           1HB      SER  10  -6.645   4.280  -3.596
   90    HB3  SEP  10           2HB      SER  10  -7.260   2.990  -4.616
   91   HOP2  SEP  10          5H        SER  10  -8.687   7.351  -4.220
   92    H    GLY  11           H        GLY  11  -5.048   3.387  -1.468
   93    HA2  GLY  11           1HA      GLY  11  -2.963   1.853  -3.075
   94    HA3  GLY  11           2HA      GLY  11  -2.614   3.136  -1.950
   95    H    LYS  12           H        LYS  12  -3.788   2.290   0.396
   96    HA   LYS  12           HA       LYS  12  -2.478  -0.436   1.003
   97    HB2  LYS  12           1HB      LYS  12  -1.739   0.372   3.192
   98    HB3  LYS  12           2HB      LYS  12  -0.883   1.028   1.828
   99    HG2  LYS  12           1HG      LYS  12  -2.258   3.199   2.119
  100    HG3  LYS  12           2HG      LYS  12  -2.947   2.493   3.588
  101    HD2  LYS  12           1HD      LYS  12  -0.526   2.215   4.464
  102    HD3  LYS  12           2HD      LYS  12   0.034   3.064   3.022
  103    HE2  LYS  12           1HE      LYS  12  -1.350   5.100   3.680
  104    HE3  LYS  12           2HE      LYS  12  -1.891   4.246   5.135
  105    HZ1  LYS  12           2HZ      LYS  12   0.943   4.846   4.477
  106    HZ3  LYS  12           1HZ      LYS  12   0.435   4.064   5.819
  107    HA   PRO  13           HA       PRO  13  -6.342  -1.832   3.059
  108    HB2  PRO  13           1HB      PRO  13  -7.109  -3.577   1.333
  109    HB3  PRO  13           2HB      PRO  13  -7.522  -1.882   1.058
  110    HG2  PRO  13           1HG      PRO  13  -5.205  -3.440  -0.227
  111    HG3  PRO  13           2HG      PRO  13  -6.477  -2.516  -1.034
  112    HD2  PRO  13           1HD      PRO  13  -3.956  -1.492  -0.376
  113    HD3  PRO  13           2HD      PRO  13  -5.397  -0.440  -0.504
  114    H    ARG  14           H        ARG  14  -5.653  -4.094   1.997
  115    HA   ARG  14           HA       ARG  14  -3.445  -5.428   3.539
  116    HB2  ARG  14           1HB      ARG  14  -3.487  -7.318   2.071
  117    HB3  ARG  14           2HB      ARG  14  -5.117  -6.741   2.407
  118    HG2  ARG  14           1HG      ARG  14  -5.393  -7.300   0.183
  119    HG3  ARG  14           2HG      ARG  14  -5.011  -5.601   0.032
  120    HD2  ARG  14           1HD      ARG  14  -2.489  -6.410  -0.339
  121    HD3  ARG  14           2HD      ARG  14  -3.153  -8.022  -0.429
  122   HH11  ARG  14          1HH2      ARG  14  -2.675  -4.601  -1.279
  123   HH12  ARG  14          2HH2      ARG  14  -2.779  -3.804  -2.931
  124   HH21  ARG  14          1HH1      ARG  14  -4.268  -6.544  -4.363
  125   HH22  ARG  14          2HH1      ARG  14  -3.628  -4.834  -4.565
  126    H    GLY  15           H        GLY  15  -3.278  -3.824   1.549
  127    HA2  GLY  15           1HA      GLY  15  -0.475  -3.666   0.180
  128    HA3  GLY  15           2HA      GLY  15  -1.629  -2.383  -0.046
  129    H    TYR  16           H        TYR  16  -1.659  -2.882   3.230
  130    HA   TYR  16           HA       TYR  16   0.098  -0.695   3.927
  131    HB2  TYR  16           1HB      TYR  16  -1.418  -2.714   5.472
  132    HB3  TYR  16           2HB      TYR  16   0.008  -2.289   6.293
  133    HD1  TYR  16           2HD      TYR  16   0.539   0.160   6.903
  134    HD2  TYR  16           1HD      TYR  16  -3.343  -1.027   5.478
  135    HE1  TYR  16           2HE      TYR  16  -0.428   2.258   7.748
  136    HE2  TYR  16           1HE      TYR  16  -4.285   1.077   6.295
  137    HH   TYR  16           HH       TYR  16  -3.885   3.002   7.321
  138    H    ALA  17           H        ALA  17   0.598  -3.257   4.048
  139    HA   ALA  17           HA       ALA  17   3.721  -3.479   3.891
  140    HB1  ALA  17           1HB      ALA  17   3.754  -5.957   3.802
  141    HB2  ALA  17           2HB      ALA  17   3.006  -5.375   5.302
  142    HB3  ALA  17           3HB      ALA  17   1.985  -6.017   3.989
  143    H    PHE  18           H        PHE  18   3.510  -2.166   1.979
  144    HA   PHE  18           HA       PHE  18   2.257  -3.343  -0.465
  145    HB2  PHE  18           1HB      PHE  18   2.449  -0.764   0.165
  146    HB3  PHE  18           2HB      PHE  18   4.016  -0.853  -0.558
  147    HD1  PHE  18           2HD      PHE  18   0.356  -1.079  -1.177
  148    HD2  PHE  18           1HD      PHE  18   4.223  -1.199  -3.061
  149    HE1  PHE  18           2HE      PHE  18  -0.699  -0.839  -3.381
  150    HE2  PHE  18           1HE      PHE  18   3.149  -0.965  -5.257
  151    HZ   PHE  18           HZ       PHE  18   0.689  -0.785  -5.425
  152    H    ILE  19           H        ILE  19   5.511  -3.403   0.787
  153    HA   ILE  19           HA       ILE  19   6.841  -4.084  -1.623
  154    HB   ILE  19           HB       ILE  19   7.979  -5.527   0.676
  155   HG12  ILE  19          1HG1      ILE  19   9.016  -3.453   1.842
  156   HG13  ILE  19          2HG1      ILE  19   7.676  -2.534   1.183
  157   HG21  ILE  19          1HG2      ILE  19  10.143  -4.451   0.010
  158   HG22  ILE  19          2HG2      ILE  19   9.299  -5.057  -1.426
  159   HG23  ILE  19          3HG2      ILE  19   9.278  -3.317  -1.055
  160   HD11  ILE  19          3HD1      ILE  19   7.421  -5.072   2.973
  161   HD12  ILE  19          1HD1      ILE  19   7.266  -3.396   3.542
  162   HD13  ILE  19          2HD1      ILE  19   6.052  -4.074   2.441
  163    H    GLU  20           H        GLU  20   5.542  -5.677  -0.004
  164    HA   GLU  20           HA       GLU  20   5.589  -8.649  -0.938
  165    HB2  GLU  20           1HB      GLU  20   4.225  -7.329   1.475
  166    HB3  GLU  20           2HB      GLU  20   3.310  -8.556   0.696
  167    HG2  GLU  20           1HG      GLU  20   5.231 -10.214   0.989
  168    HG3  GLU  20           2HG      GLU  20   6.182  -8.956   1.778
  169    HE2  GLU  20           HE       GLU  20   4.504  -9.108   4.788
  170    H    TYR  21           H        TYR  21   3.125  -6.294  -0.407
  171    HA   TYR  21           HA       TYR  21   1.434  -7.478  -2.695
  172    HB2  TYR  21           1HB      TYR  21   0.466  -5.760  -0.342
  173    HB3  TYR  21           2HB      TYR  21  -0.541  -6.418  -1.600
  174    HD1  TYR  21           1HD      TYR  21  -0.593  -9.033  -1.919
  175    HD2  TYR  21           2HD      TYR  21   0.922  -7.122   1.628
  176    HE1  TYR  21           1HE      TYR  21  -0.872 -11.126  -0.657
  177    HE2  TYR  21           2HE      TYR  21   0.646  -9.213   2.869
  178    HH   TYR  21           HH       TYR  21   0.036 -11.345   2.781
  179    HXT  TYR  21           HO       TYR  21   0.727  -4.398  -1.580
  Start of MODEL    8
    1    H1   ARG   1           H        ARG   1   4.735  -1.871   6.378
    2    HA   ARG   1           HA       ARG   1   6.651   0.219   6.301
    3    HB2  ARG   1           1HB      ARG   1   8.204  -1.576   7.060
    4    HB3  ARG   1           2HB      ARG   1   7.871  -2.546   5.643
    5    HG2  ARG   1           1HG      ARG   1   8.996   0.325   5.412
    6    HG3  ARG   1           2HG      ARG   1  10.042  -1.024   5.818
    7    HD2  ARG   1           1HD      ARG   1   9.521  -2.203   3.694
    8    HD3  ARG   1           2HD      ARG   1   8.353  -0.956   3.238
    9   HH11  ARG   1          1HH2      ARG   1   9.272  -1.591   1.302
   10   HH12  ARG   1          2HH2      ARG   1  10.348  -0.885  -0.008
   11   HH21  ARG   1          1HH1      ARG   1  12.123   1.022   2.228
   12   HH22  ARG   1          2HH1      ARG   1  11.863   0.500   0.485
   13    H    ILE   2           H        ILE   2   5.927   1.251   4.572
   14    HA   ILE   2           HA       ILE   2   4.689  -0.231   2.241
   15    HB   ILE   2           HB       ILE   2   4.110   1.939   1.262
   16   HG12  ILE   2          1HG1      ILE   2   4.751   3.310   3.955
   17   HG13  ILE   2          2HG1      ILE   2   5.876   3.345   2.612
   18   HG21  ILE   2          1HG2      ILE   2   2.916   1.410   4.046
   19   HG22  ILE   2          2HG2      ILE   2   2.146   2.364   2.762
   20   HG23  ILE   2          3HG2      ILE   2   2.446   0.638   2.510
   21   HD11  ILE   2          3HD1      ILE   2   4.193   4.482   1.139
   22   HD12  ILE   2          1HD1      ILE   2   3.020   4.504   2.485
   23   HD13  ILE   2          2HD1      ILE   2   4.542   5.415   2.612
   24    H    HIS   3           H        HIS   3   5.274  -0.034   0.229
   25    HA   HIS   3           HA       HIS   3   8.128   0.796  -0.504
   26    HB2  HIS   3           1HB      HIS   3   7.426  -1.593  -0.941
   27    HB3  HIS   3           2HB      HIS   3   6.171  -1.059  -2.007
   28    HD2  HIS   3           2HD      HIS   3   6.815  -0.816  -4.536
   29    HE1  HIS   3           1HE      HIS   3  10.966  -0.866  -4.223
   30    HE2  HIS   3           2HE      HIS   3   9.062  -0.869  -5.955
   31    H    MET   4           H        MET   4   5.092   0.681  -2.256
   32    HA   MET   4           HA       MET   4   5.153   3.688  -2.965
   33    HB2  MET   4           1HB      MET   4   5.245   1.455  -5.098
   34    HB3  MET   4           2HB      MET   4   4.851   3.134  -5.424
   35    HG2  MET   4           1HG      MET   4   7.140   3.869  -4.677
   36    HG3  MET   4           2HG      MET   4   7.574   2.179  -4.348
   37    HE1  MET   4           3HE      MET   4   9.364   3.856  -6.274
   38    HE2  MET   4           1HE      MET   4   9.609   2.106  -5.976
   39    HE3  MET   4           2HE      MET   4   9.567   2.732  -7.652
   40    H    VAL   5           H        VAL   5   3.502   3.907  -1.642
   41    HA   VAL   5           HA       VAL   5   0.901   2.700  -2.449
   42    HB   VAL   5           HB       VAL   5  -0.307   4.202  -0.999
   43   HG11  VAL   5          1HG1      VAL   5   0.293   3.175   1.131
   44   HG12  VAL   5          2HG1      VAL   5   0.317   2.004  -0.202
   45   HG13  VAL   5          3HG1      VAL   5   1.856   2.624   0.446
   46   HG21  VAL   5          3HG2      VAL   5   1.066   6.239  -0.879
   47   HG22  VAL   5          1HG2      VAL   5   0.700   5.627   0.733
   48   HG23  VAL   5          2HG2      VAL   5   2.328   5.387   0.029
   49    H    TYR   6           H        TYR   6  -0.373   3.485  -3.401
   50    HA   TYR   6           HA       TYR   6  -1.038   6.204  -4.728
   51    HB2  TYR   6           1HB      TYR   6  -2.984   4.046  -4.025
   52    HB3  TYR   6           2HB      TYR   6  -3.242   5.461  -4.986
   53    HD1  TYR   6           2HD      TYR   6  -2.061   5.649  -7.302
   54    HD2  TYR   6           1HD      TYR   6  -2.215   1.987  -5.046
   55    HE1  TYR   6           2HE      TYR   6  -1.583   4.362  -9.341
   56    HE2  TYR   6           1HE      TYR   6  -1.734   0.714  -7.090
   57    HH   TYR   6           HH       TYR   6  -1.303   2.346 -10.226
   58    H    SER   7           H        SER   7  -3.031   5.709  -3.140
   59    HA   SER   7           HA       SER   7  -2.690   7.758  -0.863
   60    HB2  SER   7           1HB      SER   7  -5.317   6.907  -2.252
   61    HB3  SER   7           2HB      SER   7  -5.163   8.217  -1.079
   62    HG   SER   7           HG       SER   7  -3.770   8.043  -3.542
   63    H    LYS   8           H        LYS   8  -5.407   6.879   0.368
   64    HA   LYS   8           HA       LYS   8  -4.234   4.873   2.329
   65    HB2  LYS   8           1HB      LYS   8  -5.259   7.015   3.176
   66    HB3  LYS   8           2HB      LYS   8  -6.836   6.464   2.620
   67    HG2  LYS   8           1HG      LYS   8  -6.628   4.433   4.150
   68    HG3  LYS   8           2HG      LYS   8  -5.038   4.992   4.670
   69    HD2  LYS   8           1HD      LYS   8  -6.078   7.117   5.565
   70    HD3  LYS   8           2HD      LYS   8  -7.673   6.574   5.069
   71    HE2  LYS   8           1HE      LYS   8  -5.870   5.082   7.106
   72    HE3  LYS   8           2HE      LYS   8  -7.119   6.247   7.542
   73    HZ1  LYS   8           2HZ      LYS   8  -7.606   3.704   6.092
   74    HZ3  LYS   8           1HZ      LYS   8  -7.910   3.972   7.677
   75    H    ARG   9           H        ARG   9  -7.302   5.212   0.466
   76    HA   ARG   9           HA       ARG   9  -8.034   2.448   1.014
   77    HB2  ARG   9           1HB      ARG   9  -9.395   4.790  -0.257
   78    HB3  ARG   9           2HB      ARG   9  -9.887   3.252  -0.867
   79    HG2  ARG   9           1HG      ARG   9 -10.481   2.480   1.491
   80    HG3  ARG   9           2HG      ARG   9  -9.914   4.025   2.133
   81    HD2  ARG   9           1HD      ARG   9 -11.682   5.241   0.770
   82    HD3  ARG   9           2HD      ARG   9 -12.256   3.684   0.136
   83   HH11  ARG   9          1HH1      ARG   9 -14.015   5.255   0.513
   84   HH12  ARG   9          2HH1      ARG   9 -15.494   5.381   1.594
   85   HH21  ARG   9          1HH2      ARG   9 -13.980   3.692   4.172
   86   HH22  ARG   9          2HH2      ARG   9 -15.476   4.551   3.538
   87    H    SEP  10           H        SER  10  -7.418   3.623  -1.251
   88    HA   SEP  10           HA       SER  10  -6.971   1.512  -3.498
   89    HB2  SEP  10           1HB      SER  10  -7.684   3.754  -4.352
   90    HB3  SEP  10           2HB      SER  10  -6.171   4.471  -3.776
   91   HOP2  SEP  10          5H        SER  10  -7.434   4.795  -7.969
   92    H    GLY  11           H        GLY  11  -4.930   3.331  -1.297
   93    HA2  GLY  11           1HA      GLY  11  -2.352   2.265  -2.557
   94    HA3  GLY  11           2HA      GLY  11  -2.436   3.495  -1.331
   95    H    LYS  12           H        LYS  12  -3.707   2.521   0.738
   96    HA   LYS  12           HA       LYS  12  -2.292  -0.112   1.477
   97    HB2  LYS  12           1HB      LYS  12  -1.598   0.744   3.640
   98    HB3  LYS  12           2HB      LYS  12  -0.815   1.537   2.300
   99    HG2  LYS  12           1HG      LYS  12  -2.377   3.550   2.623
  100    HG3  LYS  12           2HG      LYS  12  -3.090   2.732   4.017
  101    HD2  LYS  12           1HD      LYS  12  -0.747   2.650   5.073
  102    HD3  LYS  12           2HD      LYS  12  -0.129   3.566   3.699
  103    HE2  LYS  12           1HE      LYS  12  -1.706   5.480   4.248
  104    HE3  LYS  12           2HE      LYS  12  -2.357   4.557   5.614
  105    HZ1  LYS  12           2HZ      LYS  12  -0.665   6.071   6.349
  106    HZ3  LYS  12           1HZ      LYS  12  -0.158   4.538   6.606
  107    HA   PRO  13           HA       PRO  13  -6.181  -1.643   3.344
  108    HB2  PRO  13           1HB      PRO  13  -6.953  -3.279   1.512
  109    HB3  PRO  13           2HB      PRO  13  -7.352  -1.568   1.332
  110    HG2  PRO  13           1HG      PRO  13  -5.054  -3.075  -0.043
  111    HG3  PRO  13           2HG      PRO  13  -6.304  -2.072  -0.786
  112    HD2  PRO  13           1HD      PRO  13  -3.750  -1.170  -0.024
  113    HD3  PRO  13           2HD      PRO  13  -5.151  -0.072  -0.154
  114    H    ARG  14           H        ARG  14  -5.495  -3.833   2.144
  115    HA   ARG  14           HA       ARG  14  -3.252  -5.272   3.544
  116    HB2  ARG  14           1HB      ARG  14  -3.328  -7.047   1.862
  117    HB3  ARG  14           2HB      ARG  14  -4.906  -6.526   2.441
  118    HG2  ARG  14           1HG      ARG  14  -5.378  -6.958   0.204
  119    HG3  ARG  14           2HG      ARG  14  -5.221  -5.223   0.245
  120    HD2  ARG  14           1HD      ARG  14  -2.662  -5.727  -0.499
  121    HD3  ARG  14           2HD      ARG  14  -3.262  -7.327  -0.847
  122   HH11  ARG  14          1HH2      ARG  14  -2.529  -3.989  -1.324
  123   HH12  ARG  14          2HH2      ARG  14  -2.790  -2.952  -2.817
  124   HH21  ARG  14          1HH1      ARG  14  -5.000  -5.174  -4.211
  125   HH22  ARG  14          2HH1      ARG  14  -4.103  -3.576  -4.341
  126    H    GLY  15           H        GLY  15  -3.151  -3.523   1.675
  127    HA2  GLY  15           1HA      GLY  15  -0.362  -3.283   0.276
  128    HA3  GLY  15           2HA      GLY  15  -1.515  -1.989   0.129
  129    H    TYR  16           H        TYR  16  -1.509  -2.668   3.378
  130    HA   TYR  16           HA       TYR  16   0.296  -0.556   4.187
  131    HB2  TYR  16           1HB      TYR  16  -1.272  -2.631   5.610
  132    HB3  TYR  16           2HB      TYR  16   0.172  -2.302   6.442
  133    HD1  TYR  16           1HD      TYR  16   0.771   0.097   7.198
  134    HD2  TYR  16           2HD      TYR  16  -3.156  -0.923   5.765
  135    HE1  TYR  16           1HE      TYR  16  -0.149   2.132   8.230
  136    HE2  TYR  16           2HE      TYR  16  -4.052   1.119   6.770
  137    HH   TYR  16           HH       TYR  16  -3.603   2.949   7.944
  138    H    ALA  17           H        ALA  17   0.709  -3.134   4.128
  139    HA   ALA  17           HA       ALA  17   3.812  -3.421   3.867
  140    HB1  ALA  17           1HB      ALA  17   2.064  -5.947   4.020
  141    HB2  ALA  17           2HB      ALA  17   3.823  -5.896   3.753
  142    HB3  ALA  17           3HB      ALA  17   3.150  -5.325   5.293
  143    H    PHE  18           H        PHE  18   3.484  -2.065   1.990
  144    HA   PHE  18           HA       PHE  18   2.168  -3.204  -0.434
  145    HB2  PHE  18           1HB      PHE  18   2.555  -0.608   0.215
  146    HB3  PHE  18           2HB      PHE  18   4.050  -0.810  -0.628
  147    HD1  PHE  18           2HD      PHE  18   4.015  -1.402  -3.152
  148    HD2  PHE  18           1HD      PHE  18   0.413  -0.547  -0.966
  149    HE1  PHE  18           2HE      PHE  18   2.780  -1.176  -5.262
  150    HE2  PHE  18           1HE      PHE  18  -0.801  -0.280  -3.096
  151    HZ   PHE  18           HZ       PHE  18   0.373  -0.608  -5.241
  152    H    ILE  19           H        ILE  19   5.412  -3.487   0.790
  153    HA   ILE  19           HA       ILE  19   6.747  -3.929  -1.626
  154    HB   ILE  19           HB       ILE  19   7.819  -5.707   0.450
  155   HG12  ILE  19          1HG1      ILE  19   8.868  -3.804   1.905
  156   HG13  ILE  19          2HG1      ILE  19   7.519  -2.814   1.380
  157   HG21  ILE  19          1HG2      ILE  19  10.005  -4.524  -0.021
  158   HG22  ILE  19          2HG2      ILE  19   9.180  -4.916  -1.544
  159   HG23  ILE  19          3HG2      ILE  19   9.139  -3.255  -0.917
  160   HD11  ILE  19          3HD1      ILE  19   7.301  -5.566   2.820
  161   HD12  ILE  19          1HD1      ILE  19   7.133  -3.979   3.599
  162   HD13  ILE  19          2HD1      ILE  19   5.916  -4.519   2.422
  163    H    GLU  20           H        GLU  20   5.397  -5.743  -0.308
  164    HA   GLU  20           HA       GLU  20   5.434  -8.435  -1.885
  165    HB2  GLU  20           1HB      GLU  20   4.258  -7.838   0.893
  166    HB3  GLU  20           2HB      GLU  20   3.317  -8.858  -0.106
  167    HG2  GLU  20           1HG      GLU  20   4.709 -10.290   1.240
  168    HG3  GLU  20           2HG      GLU  20   5.315 -10.447  -0.399
  169    HE2  GLU  20           HE       GLU  20   8.448  -9.217   0.325
  170    H    TYR  21           H        TYR  21   2.970  -6.400  -0.567
  171    HA   TYR  21           HA       TYR  21   1.075  -7.040  -2.871
  172    HB2  TYR  21           1HB      TYR  21   0.436  -5.517  -0.279
  173    HB3  TYR  21           2HB      TYR  21  -0.709  -5.982  -1.500
  174    HD1  TYR  21           1HD      TYR  21  -1.041  -8.520  -2.036
  175    HD2  TYR  21           2HD      TYR  21   0.980  -7.117   1.495
  176    HE1  TYR  21           1HE      TYR  21  -1.432 -10.685  -0.938
  177    HE2  TYR  21           2HE      TYR  21   0.585  -9.280   2.575
  178    HH   TYR  21           HH       TYR  21  -0.295 -11.310   2.378
  179    HXT  TYR  21           HO       TYR  21   2.541  -5.846  -4.140