*HEADER    SPLICING                                02-NOV-10   2L5I              
*TITLE     STRUCTURE OF THE SPLICEOSOMAL PHOSPHOPEPTIDE P140 (NON-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 2L5I    0                                                



#
#   CONTRAINTES HAi;NHi+1
#
#

  restraint create     1 distance *:1:HA  *:2:HN  
  restraint function     1 flatBottomed 200 200 1000
  restraint target     1 1.50 2.50

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

  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 5.00

  restraint create     6 distance *:6:HA  *:7:HN  
  restraint function     6 flatBottomed 200 200 1000
  restraint target     6 1.50 3.50

  restraint create     7 distance *:7:HA  *:8:HN  
  restraint function     7 flatBottomed 200 200 1000
  restraint target     7 1.50 3.50  

  restraint create     8 distance *:8:HA  *:9:HN  
  restraint function     8 flatBottomed 200 200 1000
  restraint target     8 1.50 2.50

  restraint create     9 distance *:9:HA  *:10:HN  
  restraint function     9 flatBottomed 200 200 1000
  restraint target     9 1.50 3.50

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

  restraint create     11 distance *:11:QA  *:12:HN  
  restraint function     11 flatBottomed 200 200 1000
  restraint target     11 1.50 4.00

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

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

  restraint create     15 distance *:16:HA  *:17:HN  
  restraint function     15 flatBottomed 200 200 1000
  restraint target     15 1.50 3.50

  restraint create     16 distance *:17:HA  *:18:HN  
  restraint function     16 flatBottomed 200 200 1000
  restraint target     16 1.50 2.50

  restraint create     17 distance *:18:HA  *:19:HN  
  restraint function     17 flatBottomed 200 200 1000
  restraint target     17 1.50 2.50

  restraint create     18 distance *:19:HA  *:20:HN  
  restraint function     18 flatBottomed 200 200 1000
  restraint target     18 1.50 3.50

  restraint create     19 distance *:20:HA  *:21:HN  
  restraint function     19 flatBottomed 200 200 1000
  restraint target     19 1.50 3.50

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

  restraint create     20 distance *:3:HN  *:4:HN  
  restraint function     20 flatBottomed 200 200 1000
  restraint target     20 1.50 2.50

  restraint create     21 distance *:4:HN  *:5:HN  
  restraint function     21 flatBottomed 200 200 1000
  restraint target     21 1.50 3.50

  restraint create     22 distance *:5:HN  *:6:HN  
  restraint function     22 flatBottomed 200 200 1000
  restraint target     22 1.50 5.00

  restraint create     23 distance *:6:HN  *:7:HN  
  restraint function     23 flatBottomed 200 200 1000
  restraint target     23 1.50 2.50

  restraint create     24 distance *:7:HN  *:8:HN  
  restraint function     24 flatBottomed 200 200 1000
  restraint target     24 1.50 2.50

  restraint create     25 distance *:8:HN  *:9:HN  
  restraint function     25 flatBottomed 200 200 1000
  restraint target     25 1.50 5.50

  restraint create     26 distance *:11:HN  *:12:HN  
  restraint function     26 flatBottomed 200 200 1000
  restraint target     26 1.50 2.50

  restraint create     27 distance *:14:HN  *:15:HN  
  restraint function     27 flatBottomed 200 200 1000
  restraint target     27 1.50 3.50

  restraint create     28 distance *:15:HN  *:16:HN  
  restraint function     28 flatBottomed 200 200 1000
  restraint target     28 1.50 2.50

  restraint create     29 distance *:16:HN  *:17:HN  
  restraint function     29 flatBottomed 200 200 1000
  restraint target     29 1.50 2.50

  restraint create     30 distance *:17:HN  *:18:HN  
  restraint function     30 flatBottomed 200 200 1000
  restraint target     30 1.50 3.50

  restraint create     31 distance *:18:HN  *:19:HN  
  restraint function     31 flatBottomed 200 200 1000
  restraint target     31 1.50 2.50

  restraint create     32 distance *:19:HN  *:20:HN  
  restraint function     32 flatBottomed 200 200 1000
  restraint target     32 1.50 2.50

  restraint create     33 distance *:20:HN  *:21:HN  
  restraint function     33 flatBottomed 200 200 1000
  restraint target     33 1.50 2.50

#
# Contraintes NHi / NHi+2
#

  restraint create     34 distance *:14:HN  *:16:HN  
  restraint function     34 flatBottomed 200 200 1000
  restraint target     34 1.50 5.50

#
# Contraintes HBi / NHi+1
#


  restraint create     35 distance *:2:HB  *:3:HN  
  restraint function     35 flatBottomed 200 200 1000
  restraint target     35 1.50 3.50

  restraint create     36 distance *:3:HB1  *:4:HN  
  restraint function     36 flatBottomed 200 200 1000
  restraint target     36 1.50 3.50

  restraint create     37 distance *:3:HB2  *:4:HN  
  restraint function     37 flatBottomed 200 200 1000
  restraint target     37 1.50 3.50

  restraint create     38 distance *:4:HB1  *:5:HN  
  restraint function     38 flatBottomed 200 200 1000
  restraint target     38 1.50 3.50

  restraint create     39 distance *:4:HB2  *:5:HN  
  restraint function     39 flatBottomed 200 200 1000
  restraint target     39 1.50 3.50

  restraint create     40 distance *:5:HB  *:6:HN  
  restraint function     40 flatBottomed 200 200 1000
  restraint target     40 1.50 5.00

  restraint create     41 distance *:6:HB1  *:7:HN  
  restraint function     41 flatBottomed 200 200 1000
  restraint target     41 1.50 2.50

  restraint create     42 distance *:6:HB2  *:7:HN  
  restraint function     42 flatBottomed 200 200 1000
  restraint target     42 1.50 2.50

  restraint create     43 distance *:7:HB1  *:8:HN  
  restraint function     43 flatBottomed 200 200 1000
  restraint target     43 1.50 3.50

  restraint create     44 distance *:7:HB2  *:8:HN  
  restraint function     44 flatBottomed 200 200 1000
  restraint target     44 1.50 3.50

  restraint create     45 distance *:8:HB1  *:9:HN  
  restraint function     45 flatBottomed 200 200 1000
  restraint target     45 1.50 3.50

  restraint create     46 distance *:8:HB2  *:9:HN  
  restraint function     46 flatBottomed 200 200 1000
  restraint target     46 1.50 3.50

  restraint create     47 distance *:9:HB1  *:10:HN  
  restraint function     47 flatBottomed 200 200 1000
  restraint target     47 1.50 2.50

  restraint create     48 distance *:9:HB2  *:10:HN  
  restraint function    48 flatBottomed 200 200 1000
  restraint target     48 1.50 2.50

  restraint create     49 distance *:10:QB  *:11:HN  
  restraint function     49 flatBottomed 200 200 1000
  restraint target     49 1.50 5.50

  restraint create     50 distance *:13:QB  *:14:HN  
  restraint function     50 flatBottomed 200 200 1000
  restraint target     50 1.50 5.50

  restraint create     51 distance *:14:HB1  *:15:HN  
  restraint function     51 flatBottomed 200 200 1000
  restraint target     51 1.50 3.50

  restraint create     52 distance *:14:HB2  *:15:HN  
  restraint function     52 flatBottomed 200 200 1000
  restraint target     52 1.50 3.50

  restraint create     53 distance *:16:QB  *:17:HN  
  restraint function     53 flatBottomed 200 200 1000
  restraint target     53 1.50 5.50

  restraint create     53 distance *:17:QB  *:18:HN  
  restraint function     53 flatBottomed 200 200 1000
  restraint target     53 1.50 5.50

  restraint create     54 distance *:18:HB1  *:19:HN  
  restraint function     54 flatBottomed 200 200 1000
  restraint target     54 1.50 3.50

  restraint create     55 distance *:18:HB2  *:19:HN  
  restraint function     55 flatBottomed 200 200 1000
  restraint target     55 1.50 3.50

  restraint create     56 distance *:19:HB  *:20:HN  
  restraint function     56 flatBottomed 200 200 1000
  restraint target     56 1.50 2.50

  restraint create     57 distance *:20:HB1  *:21:HN  
  restraint function     57 flatBottomed 200 200 1000
  restraint target     57 1.50 3.50

  restraint create     58 distance *:20:HB2  *:21:HN  
  restraint function     58 flatBottomed 200 200 1000
  restraint target     58 1.50 3.50

#
# Contraintes HGi / NH i+1
#


  restraint create     59 distance *:2:QG1  *:3:HN  
  restraint function     59 flatBottomed 200 200 1000
  restraint target     59 1.50 6.00

  restraint create     60 distance *:2:QG2  *:3:HN  
  restraint function     60 flatBottomed 200 200 1000
  restraint target     60 1.50 6.00

  restraint create     61 distance *:4:QG  *:5:HN  
  restraint function     61 flatBottomed 200 200 1000
  restraint target     61 1.50 5.50

  restraint create     62 distance *:5:QQG  *:6:HN  
  restraint function     62 flatBottomed 200 200 1000
  restraint target     62 1.50 6.00

  restraint create     63 distance *:8:HG1  *:9:HN  
  restraint function     63 flatBottomed 200 200 1000
  restraint target     63 1.50 3.50  

  restraint create     64 distance *:8:HG2  *:9:HN  
  restraint function     64 flatBottomed 200 200 1000
  restraint target     64 1.50 3.50  

  restraint create     65 distance *:9:QG  *:10:HN  
  restraint function     65 flatBottomed 200 200 1000
  restraint target     65 1.50 5.50

  restraint create     66 distance *:13:QG  *:14:HN  
  restraint function     66 flatBottomed 200 200 1000
  restraint target     66 1.50 5.50

  restraint create     67 distance *:14:HG1  *:15:HN  
  restraint function     67 flatBottomed 200 200 1000
  restraint target     67 1.50 3.50

  restraint create     68 distance *:14:HG2  *:15:HN  
  restraint function     68 flatBottomed 200 200 1000
  restraint target     68 1.50 3.50

  restraint create     69 distance *:19:QG1  *:20:HN  
  restraint function     69 flatBottomed 200 200 1000
  restraint target     69 1.50 5.00

  restraint create     70 distance *:19:QG2  *:20:HN  
  restraint function     70 flatBottomed 200 200 1000
  restraint target     70 1.50 5.00

  restraint create     71 distance *:20:HG1  *:21:HN  
  restraint function     71 flatBottomed 200 200 1000
  restraint target     71 1.50 5.50

  restraint create     72 distance *:20:HG2  *:21:HN  
  restraint function     72 flatBottomed 200 200 1000
  restraint target     72 1.50 5.50

#
# Contraintes HDi / NH i+1
#

  restraint create     73 distance *:2:QD  *:3:HN  
  restraint function     73 flatBottomed 200 200 1000
  restraint target     73 1.50 5.50

  restraint create     74 distance *:8:QD  *:9:HN  
  restraint function     74 flatBottomed 200 200 1000
  restraint target     74 1.50 5.50

  restraint create     75 distance *:9:QD  *:10:HN  
  restraint function     75 flatBottomed 200 200 1000
  restraint target     75 1.50 6.00

  restraint create     76 distance *:13:HD1  *:14:HN  
  restraint function     76 flatBottomed 200 200 1000
  restraint target     76 1.50 5.50

  restraint create     77 distance *:13:HD2  *:14:HN  
  restraint function     77 flatBottomed 200 200 1000
  restraint target     77 1.50 5.50

  restraint create     78 distance *:19:QD  *:20:HN  
  restraint function     78 flatBottomed 200 200 1000
  restraint target     78 1.50 5.50

#
# Contraintes HG i / NH i+2
#


  restraint create     79 distance *:19:QQG  *:21:HN  
  restraint function     79 flatBottomed 200 200 1000
  restraint target     79 1.50 6.00

#
# Contraintes HD i / NH i+2
#

  restraint create     80 distance *:2:QD  *:4:HN  
  restraint function     80 flatBottomed 200 200 1000
  restraint target     80 1.50 5.0


#
# Contraintes HA i / NH i+2
#

  restraint create     81 distance *:14:HA  *:16:HN  
  restraint function     81 flatBottomed 200 200 1000
  restraint target     81 1.50 3.50

  restraint create     82 distance *:15:QA  *:17:HN  
  restraint function     82 flatBottomed 200 200 1000
  restraint target     82 1.50 6.00


#
# Contraintes HA i / NH i+3
#

  restraint create     83 distance *:13:HA  *:16:HN  
  restraint function     83 flatBottomed 200 200 1000
  restraint target     83 1.50 5.50

#
# Contraintes  longues distance
#

  restraint create     84 distance *:11:HN  *:21:HN  
  restraint function     84 flatBottomed 200 200 1000
  restraint target     84 1.50 5.50

  restraint create     85 distance *:3:HN  *:19:HN  
  restraint function     85 flatBottomed 200 200 1000
  restraint target     85 1.50 3.50

  restraint create     86 distance *:3:HN  *:19:QQG  
  restraint function     86 flatBottomed 200 200 1000
  restraint target     86 1.50 6.50
#
  restraint create  6001 torsion \
   *:12:C  *:13:N  *:13:CA *:13:C 
  restraint function  6001 flatBottomed 200 200 1000
  restraint target  6001 -90.0  -30.0
#
  restraint create  6002 torsion \
   *:13:N  *:13:CA *:13:C  *:14:N 
  restraint function  6002 flatBottomed 200 200 1000
  restraint target  6002  -60.0  0.0
#
  restraint create  6003 torsion \
   *:13:C  *:14:N  *:14:CA *:14:C 
  restraint function  6003 flatBottomed 200 200 1000
  restraint target  6003  -90.0  -30.0
#
  restraint create  6004 torsion \
   *:14:N  *:14:CA *:14:C  *:15:N 
  restraint function  6004 flatBottomed 200 200 1000
  restraint target  6004  -60.0  0.0
#
  restraint create  6005 torsion \
   *:14:C  *:15:N  *:15:CA *:15:C 
  restraint function  6005 flatBottomed 200 200 1000
  restraint target  6005  -90.0  -30.0
#
  restraint create  6006 torsion \
   *:15:N  *:15:CA *:15:C  *:16:N 
  restraint function  6006 flatBottomed 200 200 1000
  restraint target  6006  -60.0  0.0
#
  restraint create  6007 torsion \
   *:15:C  *:16:N  *:16:CA *:16:C 
  restraint function  6007 flatBottomed 200 200 1000
  restraint target  6007  -90.0  -30.0
#
  restraint create  6008 torsion \
   *:16:N  *:16:CA *:16:C  *:17:N 
  restraint function  6008 flatBottomed 200 200 1000
  restraint target  6008  -60.0  0.0
#
  restraint create  6009 torsion \
   *:16:C  *:17:N  *:17:CA *:17:C 
  restraint function  6009 flatBottomed 200 200 1000
  restraint target  6009  -90.0  -30.0
#
  restraint create  6010 torsion \
   *:17:N  *:17:CA *:17:C  *:18:N 
  restraint function  6010 flatBottomed 200 200 1000
  restraint target  6010  -60.0  0.0
#
  restraint create  6011 torsion \
   *:18:C  *:19:N  *:19:CA *:19:C 
  restraint function  6011 flatBottomed 200 200 1000
  restraint target  6011  -90.0  -30.0
#
  restraint create  6012 torsion \
   *:19:N  *:19:CA *:19:C  *:20:N 
  restraint function  6012 flatBottomed 200 200 1000
  restraint target  6012  -60.0  0.0
#
  restraint create  6013 torsion \
   *:19:C  *:20:N  *:20:CA *:20:C 
  restraint function  6013 flatBottomed 200 200 1000
  restraint target  6013  -90.0  -30.0
#
  restraint create  6014 torsion \
   *:20:N  *:20:CA *:20:C  *:21:N 
  restraint function  6014 flatBottomed 200 200 1000
  restraint target  6012  -60.0  0.0
#
  restraint create  6015 torsion \
   *:1:C  *:2:N  *:2:CA *:2:C 
  restraint function  6015 flatBottomed 200 200 1000
  restraint target  6015  -175.0  -50.0
#
  restraint create  6016 torsion \
   *:2:C  *:3:N  *:3:CA *:3:C 
  restraint function  6016 flatBottomed 200 200 1000
  restraint target  6016  -175.0  -65.0
#
  restraint create  6017 torsion \
   *:3:C  *:4:N  *:4:CA *:4:C 
  restraint function  6017 flatBottomed 200 200 1000
  restraint target  6017  -175.0  -65.0
#
  restraint create  6018 torsion \
   *:4:C  *:5:N  *:5:CA *:5:C 
  restraint function  6018 flatBottomed 200 200 1000
  restraint target  6018  -175.0  -60.0
#
  restraint create  6019 torsion \
   *:5:C  *:6:N  *:6:CA *:6:C 
  restraint function  6019 flatBottomed 200 200 1000
  restraint target  6019  -175.0  -65.0
#
  restraint create  6020 torsion \
   *:6:C  *:7:N  *:7:CA *:7:C 
  restraint function  6020 flatBottomed 200 200 1000
  restraint target  6020  -175.0  -55.0
#
  restraint create  6021 torsion \
   *:7:C  *:8:N  *:8:CA *:8:C 
  restraint function  6021 flatBottomed 200 200 1000
  restraint target  6021  -175.0  -50.0
#
  restraint create  6022 torsion \
   *:8:C  *:9:N  *:9:CA *:9:C 
  restraint function  6022 flatBottomed 200 200 1000
  restraint target  6022  -175.0  -50.0
#
  restraint create  6023 torsion \
   *:9:C  *:10:N  *:10:CA *:10:C 
  restraint function  6023 flatBottomed 200 200 1000
  restraint target  6023  -175.0  -50.0
#
  restraint create  6024 torsion \
   *:10:C  *:11:N  *:11:CA *:11:C 
  restraint function  6024 flatBottomed 200 200 1000
  restraint target  6024  -175.0  -05.0
#
  restraint create  6025 torsion \
   *:11:C  *:12:N  *:12:CA *:12:C 
  restraint function  6025 flatBottomed 200 200 1000
  restraint target  6025  -175.0  -60.0
#
  restraint create  6026 torsion \
   *:17:C  *:18:N  *:18:CA *:18:C 
  restraint function  6026 flatBottomed 200 200 1000
  restraint target  6026  -175.0  -60.0
#
  restraint create  6027 torsion \
   *:20:C  *:21:N  *:21:CA *:21:C 
  restraint function  6027 flatBottomed 200 200 1000
  restraint target  6027  -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  rst10 torsion \
   *:12:CA  *:12:C  *:13:N  *:13:CA
  restraint function  rst10 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           H1       ARG   1  -9.851  -1.280   0.120
    2    H2   ARG   1           H2       ARG   1 -10.439  -2.799   0.265
    3    HA   ARG   1           HA       ARG   1  -9.262  -2.206   2.215
    4    HB2  ARG   1           HB2      ARG   1  -9.100  -4.625   0.931
    5    HB3  ARG   1           HB3      ARG   1  -7.403  -4.246   0.876
    6    HG2  ARG   1           HG2      ARG   1  -9.207  -4.510   3.369
    7    HG3  ARG   1           HG3      ARG   1  -8.042  -5.681   2.774
    8    HD2  ARG   1           HD2      ARG   1  -6.163  -3.972   3.263
    9    HD3  ARG   1           HD3      ARG   1  -7.387  -2.931   4.013
   10   HH11  ARG   1          HH12      ARG   1  -5.679  -2.650   5.412
   11   HH12  ARG   1          HH11      ARG   1  -5.150  -3.116   7.107
   12   HH21  ARG   1          HH21      ARG   1  -6.855  -6.092   7.030
   13   HH22  ARG   1          HH22      ARG   1  -5.775  -4.936   7.967
   14    H    ILE   2           H        ILE   2  -7.806  -0.824   2.986
   15    HA   ILE   2           HA       ILE   2  -5.301  -0.114   1.376
   16    HB   ILE   2           HB       ILE   2  -5.370   2.200   2.412
   17   HG12  ILE   2          HG12      ILE   2  -7.551   3.266   2.918
   18   HG13  ILE   2          HG13      ILE   2  -8.365   1.714   2.936
   19   HG21  ILE   2          HG21      ILE   2  -6.797   3.139   0.640
   20   HG22  ILE   2          HG22      ILE   2  -5.861   1.770   0.023
   21   HG23  ILE   2          HG23      ILE   2  -7.589   1.562   0.388
   22   HD11  ILE   2          HD11      ILE   2  -7.836   2.698   5.231
   23   HD12  ILE   2          HD12      ILE   2  -7.176   1.067   5.023
   24   HD13  ILE   2          HD13      ILE   2  -6.099   2.485   4.908
   25    H    HIS   3           H        HIS   3  -3.418   0.424   2.480
   26    HA   HIS   3           HA       HIS   3  -3.074  -0.792   5.203
   27    HB2  HIS   3           HB2      HIS   3  -1.318  -0.870   3.245
   28    HB3  HIS   3           HB3      HIS   3  -0.933   0.768   3.634
   29    HD2  HIS   3           HD2      HIS   3   1.478   0.446   4.639
   30    HE1  HIS   3           HE1      HIS   3   0.750  -2.536   7.438
   31    HE2  HIS   3           HE2      HIS   3   2.592  -0.950   6.594
   32    H    MET   4           H        MET   4  -2.532   2.373   3.791
   33    HA   MET   4           HA       MET   4  -3.823   3.755   6.137
   34    HB2  MET   4           HB2      MET   4  -0.954   4.627   5.510
   35    HB3  MET   4           HB3      MET   4  -2.069   5.414   6.603
   36    HG2  MET   4           HG2      MET   4  -2.042   3.396   8.126
   37    HG3  MET   4           HG3      MET   4  -0.912   2.590   7.015
   38    HE1  MET   4           HE1      MET   4   0.032   2.778   9.906
   39    HE2  MET   4           HE2      MET   4   1.110   2.260   8.570
   40    HE3  MET   4           HE3      MET   4   1.669   3.484   9.749
   41    H    VAL   5           H        VAL   5  -1.853   5.337   3.690
   42    HA   VAL   5           HA       VAL   5  -3.287   5.832   1.713
   43    HB   VAL   5           HB       VAL   5  -4.006   8.150   1.651
   44   HG11  VAL   5          HG11      VAL   5  -6.152   6.339   2.893
   45   HG12  VAL   5          HG12      VAL   5  -6.386   7.696   1.781
   46   HG13  VAL   5          HG13      VAL   5  -5.561   6.231   1.217
   47   HG21  VAL   5          HG21      VAL   5  -5.315   9.176   3.588
   48   HG22  VAL   5          HG22      VAL   5  -4.815   7.828   4.639
   49   HG23  VAL   5          HG23      VAL   5  -3.611   8.981   4.024
   50    H    TYR   6           H        TYR   6  -1.419   5.774   1.213
   51    HA   TYR   6           HA       TYR   6   0.912   7.440   2.261
   52    HB2  TYR   6           HB2      TYR   6   0.643   4.807   0.649
   53    HB3  TYR   6           HB3      TYR   6   2.110   5.670   0.588
   54    HD1  TYR   6           HD2      TYR   6   3.518   5.919   2.760
   55    HD2  TYR   6           HD1      TYR   6  -0.125   3.627   2.699
   56    HE1  TYR   6           HE2      TYR   6   4.154   4.829   4.870
   57    HE2  TYR   6           HE1      TYR   6   0.516   2.562   4.807
   58    HH   TYR   6           HH       TYR   6   3.578   3.354   6.438
   59    H    SER   7           H        SER   7   0.071   6.233  -0.798
   60    HA   SER   7           HA       SER   7  -0.060   8.848  -2.252
   61    HB2  SER   7           HB2      SER   7   2.527   7.254  -2.750
   62    HB3  SER   7           HB3      SER   7   1.925   8.484  -3.865
   63    HG   SER   7           HG       SER   7   2.203   9.062  -1.123
   64    H    LYS   8           H        LYS   8   0.784   5.543  -3.096
   65    HA   LYS   8           HA       LYS   8  -1.384   5.542  -5.281
   66    HB2  LYS   8           HB2      LYS   8   0.060   4.878  -6.974
   67    HB3  LYS   8           HB3      LYS   8   0.857   6.221  -6.234
   68    HG2  LYS   8           HG2      LYS   8   1.573   3.258  -5.679
   69    HG3  LYS   8           HG3      LYS   8   2.254   4.166  -6.990
   70    HD2  LYS   8           HD2      LYS   8   2.601   4.835  -3.996
   71    HD3  LYS   8           HD3      LYS   8   3.748   3.942  -4.957
   72    HE2  LYS   8           HE2      LYS   8   2.982   6.890  -5.506
   73    HE3  LYS   8           HE3      LYS   8   4.370   6.368  -4.559
   74    HZ1  LYS   8           HZ1      LYS   8   3.931   5.719  -7.421
   75    HZ3  LYS   8           HZ3      LYS   8   4.957   6.857  -6.848
   76    H    ARG   9           H        ARG   9  -1.105   3.325  -6.425
   77    HA   ARG   9           HA       ARG   9  -2.250   1.308  -4.483
   78    HB2  ARG   9           HB2      ARG   9  -2.238   1.401  -7.528
   79    HB3  ARG   9           HB3      ARG   9  -2.442  -0.124  -6.706
   80    HG2  ARG   9           HG2      ARG   9  -4.627   0.659  -7.176
   81    HG3  ARG   9           HG3      ARG   9  -4.413   0.700  -5.435
   82    HD2  ARG   9           HD2      ARG   9  -4.004   3.256  -5.603
   83    HD3  ARG   9           HD3      ARG   9  -4.283   3.140  -7.331
   84   HH11  ARG   9          HH11      ARG   9  -4.991   2.827  -3.850
   85   HH12  ARG   9          HH12      ARG   9  -6.600   3.000  -2.980
   86   HH21  ARG   9          HH22      ARG   9  -8.393   2.987  -5.906
   87   HH22  ARG   9          HH21      ARG   9  -8.406   3.083  -4.071
   88    H    SER  10           H        SER  10  -0.039   0.466  -7.078
   89    HA   SER  10           HA       SER  10   1.499  -1.375  -5.300
   90    HB2  SER  10           HB2      SER  10   1.142  -1.841  -7.749
   91    HB3  SER  10           HB3      SER  10   2.218  -0.503  -8.163
   92    HG   SER  10           HG       SER  10   3.292  -2.493  -8.075
   93    H    GLY  11           H        GLY  11   2.982  -0.699  -3.877
   94    HA2  GLY  11           HA2      GLY  11   4.767   1.726  -4.458
   95    HA3  GLY  11           HA3      GLY  11   3.767   1.809  -3.018
   96    H    LYS  12           H        LYS  12   5.428  -0.742  -4.510
   97    HA   LYS  12           HA       LYS  12   6.281  -2.603  -3.487
   98    HB2  LYS  12           HB2      LYS  12   7.817  -1.743  -5.148
   99    HB3  LYS  12           HB3      LYS  12   8.752  -0.885  -3.946
  100    HG2  LYS  12           HG2      LYS  12   9.369  -3.115  -2.874
  101    HG3  LYS  12           HG3      LYS  12   8.377  -3.954  -4.068
  102    HD2  LYS  12           HD2      LYS  12   9.839  -3.029  -5.924
  103    HD3  LYS  12           HD3      LYS  12  10.825  -2.185  -4.725
  104    HE2  LYS  12           HE2      LYS  12  11.446  -4.415  -3.665
  105    HE3  LYS  12           HE3      LYS  12  10.454  -5.260  -4.863
  106    HZ1  LYS  12           HZ1      LYS  12  12.810  -3.550  -5.465
  107    HZ3  LYS  12           HZ3      LYS  12  12.785  -5.185  -5.487
  108    HA   PRO  13           HA       PRO  13   7.868  -2.342   0.935
  109    HB2  PRO  13           HB3      PRO  13   9.081  -0.183   2.107
  110    HB3  PRO  13           HB2      PRO  13   9.922  -1.302   1.024
  111    HG2  PRO  13           HG2      PRO  13   8.758   1.445   0.321
  112    HG3  PRO  13           HG3      PRO  13  10.364   0.802  -0.080
  113    HD2  PRO  13           HD2      PRO  13   8.212   0.725  -1.871
  114    HD3  PRO  13           HD3      PRO  13   9.516  -0.501  -1.871
  115    H    ARG  14           H        ARG  14   6.914   1.034   0.762
  116    HA   ARG  14           HA       ARG  14   5.192   0.667   3.150
  117    HB2  ARG  14           HB2      ARG  14   5.513   3.009   3.577
  118    HB3  ARG  14           HB3      ARG  14   6.994   2.353   2.912
  119    HG2  ARG  14           HG2      ARG  14   6.386   3.388   0.629
  120    HG3  ARG  14           HG3      ARG  14   5.091   4.228   1.467
  121    HD2  ARG  14           HD2      ARG  14   6.875   5.789   1.367
  122    HD3  ARG  14           HD3      ARG  14   6.824   5.263   3.054
  123   HH11  ARG  14          HH11      ARG  14   8.474   6.922   2.672
  124   HH12  ARG  14          HH12      ARG  14  10.304   7.057   2.740
  125   HH21  ARG  14          HH22      ARG  14  10.764   3.804   1.736
  126   HH22  ARG  14          HH21      ARG  14  11.521   5.399   2.242
  127    H    GLY  15           H        GLY  15   4.602   2.137   0.306
  128    HA2  GLY  15           HA2      GLY  15   1.560   2.429   0.561
  129    HA3  GLY  15           HA3      GLY  15   2.458   2.784  -0.900
  130    H    TYR  16           H        TYR  16   3.521  -0.140   0.141
  131    HA   TYR  16           HA       TYR  16   1.696  -1.646  -1.828
  132    HB2  TYR  16           HB2      TYR  16   4.276  -1.871  -1.902
  133    HB3  TYR  16           HB3      TYR  16   4.166  -2.863  -0.489
  134    HD1  TYR  16           HD2      TYR  16   3.463  -2.601  -4.133
  135    HD2  TYR  16           HD1      TYR  16   3.177  -5.183  -0.705
  136    HE1  TYR  16           HE2      TYR  16   3.008  -4.510  -5.604
  137    HE2  TYR  16           HE1      TYR  16   2.704  -7.085  -2.190
  138    HH   TYR  16           HH       TYR  16   2.424  -7.766  -4.288
  139    H    ALA  17           H        ALA  17   2.743  -1.962   1.510
  140    HA   ALA  17           HA       ALA  17   1.693  -4.538   1.803
  141    HB1  ALA  17           HB1      ALA  17   2.468  -4.440   4.213
  142    HB2  ALA  17           HB2      ALA  17   3.627  -3.621   3.152
  143    HB3  ALA  17           HB3      ALA  17   2.488  -2.663   4.128
  144    H    PHE  18           H        PHE  18  -0.279  -2.974   1.381
  145    HA   PHE  18           HA       PHE  18  -2.232  -4.566   1.658
  146    HB2  PHE  18           HB2      PHE  18  -2.374  -2.976   4.198
  147    HB3  PHE  18           HB3      PHE  18  -3.913  -3.066   3.481
  148    HD1  PHE  18           HD2      PHE  18  -4.414  -5.744   2.503
  149    HD2  PHE  18           HD1      PHE  18  -2.065  -4.622   5.931
  150    HE1  PHE  18           HE2      PHE  18  -4.747  -7.976   3.473
  151    HE2  PHE  18           HE1      PHE  18  -2.413  -6.861   6.887
  152    HZ   PHE  18           HZ       PHE  18  -3.749  -8.543   5.663
  153    H    ILE  19           H        ILE  19  -1.761  -2.185   0.819
  154    HA   ILE  19           HA       ILE  19  -4.345  -1.071  -0.476
  155    HB   ILE  19           HB       ILE  19  -1.622   0.024  -1.350
  156   HG12  ILE  19          HG12      ILE  19  -3.458   1.190   0.807
  157   HG13  ILE  19          HG13      ILE  19  -1.855   0.511   1.055
  158   HG21  ILE  19          HG21      ILE  19  -4.487   1.125  -1.714
  159   HG22  ILE  19          HG22      ILE  19  -2.985   1.870  -2.332
  160   HG23  ILE  19          HG23      ILE  19  -3.531   0.316  -2.965
  161   HD11  ILE  19          HD11      ILE  19  -0.831   2.378  -0.328
  162   HD12  ILE  19          HD12      ILE  19  -2.443   3.121  -0.474
  163   HD13  ILE  19          HD13      ILE  19  -1.692   2.947   1.123
  164    H    GLU  20           H        GLU  20  -1.310  -2.364  -1.655
  165    HA   GLU  20           HA       GLU  20  -2.678  -3.482  -4.180
  166    HB2  GLU  20           HB2      GLU  20  -0.473  -2.139  -4.382
  167    HB3  GLU  20           HB3      GLU  20   0.354  -3.452  -3.634
  168    HG2  GLU  20           HG2      GLU  20   0.636  -3.624  -6.045
  169    HG3  GLU  20           HG3      GLU  20  -0.307  -4.999  -5.519
  170    HE2  GLU  20           HE2      GLU  20  -2.296  -5.161  -6.110
  171    H    TYR  21           H        TYR  21  -0.533  -4.333  -1.631
  172    HA   TYR  21           HA       TYR  21  -0.567  -7.270  -1.809
  173    HB2  TYR  21           HB2      TYR  21   0.954  -5.986  -0.305
  174    HB3  TYR  21           HB3      TYR  21  -0.377  -5.527   0.704
  175    HD1  TYR  21           HD2      TYR  21   1.765  -8.423  -0.317
  176    HD2  TYR  21           HD1      TYR  21  -1.208  -7.014   2.459
  177    HE1  TYR  21           HE2      TYR  21   2.189 -10.361   1.139
  178    HE2  TYR  21           HE1      TYR  21  -0.773  -8.948   3.901
  179    HH   TYR  21           HH       TYR  21   0.404 -10.812   4.187
  180    HXT  TYR  21           HXT      TYR  21  -2.838  -5.214  -0.251
  Start of MODEL    2
    1    H1   ARG   1           H1       ARG   1 -10.563  -2.782   0.169
    2    H2   ARG   1           H2       ARG   1  -9.395  -2.206  -0.819
    3    HA   ARG   1           HA       ARG   1  -9.111  -2.808   2.055
    4    HB2  ARG   1           HB2      ARG   1  -9.382  -4.799   0.555
    5    HB3  ARG   1           HB3      ARG   1  -8.035  -4.266  -0.433
    6    HG2  ARG   1           HG2      ARG   1  -7.322  -6.065   0.982
    7    HG3  ARG   1           HG3      ARG   1  -6.438  -4.642   1.463
    8    HD2  ARG   1           HD2      ARG   1  -8.982  -5.552   2.988
    9    HD3  ARG   1           HD3      ARG   1  -7.410  -6.298   3.276
   10   HH11  ARG   1          HH12      ARG   1  -8.314  -6.170   5.310
   11   HH12  ARG   1          HH11      ARG   1  -8.027  -5.285   6.893
   12   HH21  ARG   1          HH21      ARG   1  -6.858  -2.465   5.319
   13   HH22  ARG   1          HH22      ARG   1  -7.259  -3.318   6.896
   14    H    ILE   2           H        ILE   2  -7.748  -1.435   2.932
   15    HA   ILE   2           HA       ILE   2  -5.284  -0.442   1.460
   16    HB   ILE   2           HB       ILE   2  -5.622   1.897   2.294
   17   HG12  ILE   2          HG12      ILE   2  -8.646   1.493   2.523
   18   HG13  ILE   2          HG13      ILE   2  -7.665   1.134   3.923
   19   HG21  ILE   2          HG21      ILE   2  -5.978   1.318  -0.091
   20   HG22  ILE   2          HG22      ILE   2  -7.708   1.043   0.213
   21   HG23  ILE   2          HG23      ILE   2  -7.010   2.667   0.421
   22   HD11  ILE   2          HD11      ILE   2  -7.552   3.873   2.514
   23   HD12  ILE   2          HD12      ILE   2  -8.501   3.491   3.977
   24   HD13  ILE   2          HD13      ILE   2  -6.729   3.402   4.027
   25    H    HIS   3           H        HIS   3  -3.587   0.105   2.646
   26    HA   HIS   3           HA       HIS   3  -3.475  -0.616   5.566
   27    HB2  HIS   3           HB2      HIS   3  -1.591  -1.062   3.755
   28    HB3  HIS   3           HB3      HIS   3  -1.166   0.598   3.928
   29    HD2  HIS   3           HD2      HIS   3  -1.516  -2.650   6.143
   30    HE1  HIS   3           HE1      HIS   3   1.351  -0.246   7.963
   31    HE2  HIS   3           HE2      HIS   3   0.238  -2.560   8.133
   32    H    MET   4           H        MET   4  -2.774   2.243   3.656
   33    HA   MET   4           HA       MET   4  -4.002   4.070   5.696
   34    HB2  MET   4           HB2      MET   4  -1.505   3.671   6.428
   35    HB3  MET   4           HB3      MET   4  -1.027   4.590   5.039
   36    HG2  MET   4           HG2      MET   4  -2.355   6.589   5.936
   37    HG3  MET   4           HG3      MET   4  -2.789   5.620   7.362
   38    HE1  MET   4           HE1      MET   4  -1.668   7.637   8.815
   39    HE2  MET   4           HE2      MET   4   0.033   8.155   8.619
   40    HE3  MET   4           HE3      MET   4  -1.153   8.480   7.321
   41    H    VAL   5           H        VAL   5  -1.757   5.479   3.422
   42    HA   VAL   5           HA       VAL   5  -2.917   5.821   1.189
   43    HB   VAL   5           HB       VAL   5  -3.726   8.096   0.961
   44   HG11  VAL   5          HG11      VAL   5  -6.079   7.529   0.774
   45   HG12  VAL   5          HG12      VAL   5  -5.119   6.094   0.376
   46   HG13  VAL   5          HG13      VAL   5  -5.942   6.213   1.951
   47   HG21  VAL   5          HG21      VAL   5  -5.343   9.100   2.664
   48   HG22  VAL   5          HG22      VAL   5  -4.930   7.807   3.816
   49   HG23  VAL   5          HG23      VAL   5  -3.709   9.005   3.338
   50    H    TYR   6           H        TYR   6  -1.008   5.827   1.008
   51    HA   TYR   6           HA       TYR   6   1.082   7.630   2.290
   52    HB2  TYR   6           HB2      TYR   6   1.162   4.980   0.676
   53    HB3  TYR   6           HB3      TYR   6   2.578   5.863   0.977
   54    HD1  TYR   6           HD1      TYR   6   3.056   6.403   3.663
   55    HD2  TYR   6           HD2      TYR   6   0.470   3.303   2.181
   56    HE1  TYR   6           HE1      TYR   6   3.304   5.165   5.777
   57    HE2  TYR   6           HE2      TYR   6   0.732   2.079   4.276
   58    HH   TYR   6           HH       TYR   6   1.642   2.051   6.294
   59    H    SER   7           H        SER   7   0.774   6.230  -0.760
   60    HA   SER   7           HA       SER   7   1.379   8.812  -2.341
   61    HB2  SER   7           HB2      SER   7   3.199   6.339  -2.567
   62    HB3  SER   7           HB3      SER   7   3.269   7.751  -3.625
   63    HG   SER   7           HG       SER   7   4.736   7.905  -1.931
   64    H    LYS   8           H        LYS   8   1.144   5.385  -3.086
   65    HA   LYS   8           HA       LYS   8  -1.011   5.933  -5.180
   66    HB2  LYS   8           HB2      LYS   8   1.131   6.245  -6.297
   67    HB3  LYS   8           HB3      LYS   8   1.764   4.697  -5.760
   68    HG2  LYS   8           HG2      LYS   8   1.305   4.652  -8.117
   69    HG3  LYS   8           HG3      LYS   8   0.205   3.541  -7.342
   70    HD2  LYS   8           HD2      LYS   8  -1.624   5.384  -7.472
   71    HD3  LYS   8           HD3      LYS   8  -0.466   6.399  -8.332
   72    HE2  LYS   8           HE2      LYS   8  -0.293   4.640 -10.168
   73    HE3  LYS   8           HE3      LYS   8  -1.436   3.611  -9.291
   74    HZ1  LYS   8           HZ1      LYS   8  -3.081   5.405  -9.473
   75    HZ3  LYS   8           HZ3      LYS   8  -2.024   6.350 -10.288
   76    H    ARG   9           H        ARG   9  -1.532   3.935  -6.256
   77    HA   ARG   9           HA       ARG   9  -2.676   1.913  -4.367
   78    HB2  ARG   9           HB2      ARG   9  -2.962   2.402  -7.337
   79    HB3  ARG   9           HB3      ARG   9  -3.118   0.748  -6.874
   80    HG2  ARG   9           HG2      ARG   9  -4.752   2.948  -5.467
   81    HG3  ARG   9           HG3      ARG   9  -5.315   2.123  -6.916
   82    HD2  ARG   9           HD2      ARG   9  -5.399  -0.061  -5.828
   83    HD3  ARG   9           HD3      ARG   9  -4.472   0.498  -4.440
   84   HH11  ARG   9          HH11      ARG   9  -5.586  -0.908  -3.347
   85   HH12  ARG   9          HH12      ARG   9  -6.940  -1.005  -2.113
   86   HH21  ARG   9          HH22      ARG   9  -8.519   1.784  -3.352
   87   HH22  ARG   9          HH21      ARG   9  -8.504   0.413  -2.128
   88    H    SER  10           H        SER  10  -0.700   1.323  -7.204
   89    HA   SER  10           HA       SER  10   0.834  -0.934  -5.986
   90    HB2  SER  10           HB2      SER  10   0.532  -0.700  -8.467
   91    HB3  SER  10           HB3      SER  10   1.535   0.757  -8.468
   92    HG   SER  10           HG       SER  10   2.731  -1.072  -8.969
   93    H    GLY  11           H        GLY  11   2.401  -0.699  -4.405
   94    HA2  GLY  11           HA2      GLY  11   4.094   1.806  -4.237
   95    HA3  GLY  11           HA3      GLY  11   2.960   1.579  -2.913
   96    H    LYS  12           H        LYS  12   4.902  -0.647  -4.736
   97    HA   LYS  12           HA       LYS  12   5.840  -2.514  -3.330
   98    HB2  LYS  12           HB2      LYS  12   7.870  -0.797  -4.818
   99    HB3  LYS  12           HB3      LYS  12   8.305  -2.356  -4.167
  100    HG2  LYS  12           HG2      LYS  12   6.028  -1.955  -6.203
  101    HG3  LYS  12           HG3      LYS  12   7.690  -2.349  -6.613
  102    HD2  LYS  12           HD2      LYS  12   7.547  -4.499  -5.301
  103    HD3  LYS  12           HD3      LYS  12   5.874  -4.140  -4.870
  104    HE2  LYS  12           HE2      LYS  12   5.224  -4.141  -7.323
  105    HE3  LYS  12           HE3      LYS  12   6.899  -4.505  -7.765
  106    HZ1  LYS  12           HZ1      LYS  12   6.734  -6.548  -6.455
  107    HZ3  LYS  12           HZ3      LYS  12   5.657  -6.509  -7.681
  108    HA   PRO  13           HA       PRO  13   8.514  -1.207   0.303
  109    HB2  PRO  13           HB3      PRO  13   9.170   1.375   0.941
  110    HB3  PRO  13           HB2      PRO  13  10.051   0.409  -0.252
  111    HG2  PRO  13           HG2      PRO  13   7.923   2.540  -0.785
  112    HG3  PRO  13           HG3      PRO  13   9.490   2.329  -1.594
  113    HD2  PRO  13           HD2      PRO  13   7.069   1.372  -2.633
  114    HD3  PRO  13           HD3      PRO  13   8.643   0.611  -3.002
  115    H    ARG  14           H        ARG  14   6.446   1.628   0.176
  116    HA   ARG  14           HA       ARG  14   5.494   1.151   2.962
  117    HB2  ARG  14           HB2      ARG  14   4.913   3.512   2.969
  118    HB3  ARG  14           HB3      ARG  14   6.443   3.241   2.152
  119    HG2  ARG  14           HG2      ARG  14   5.334   3.556  -0.109
  120    HG3  ARG  14           HG3      ARG  14   3.863   3.984   0.740
  121    HD2  ARG  14           HD2      ARG  14   4.866   6.051   0.153
  122    HD3  ARG  14           HD3      ARG  14   5.106   5.901   1.898
  123   HH11  ARG  14          HH11      ARG  14   5.910   7.955   1.037
  124   HH12  ARG  14          HH12      ARG  14   7.526   8.808   0.857
  125   HH21  ARG  14          HH22      ARG  14   9.234   5.865   0.380
  126   HH22  ARG  14          HH21      ARG  14   9.292   7.697   0.507
  127    H    GLY  15           H        GLY  15   3.982   1.622   0.168
  128    HA2  GLY  15           HA2      GLY  15   1.060   1.118   0.970
  129    HA3  GLY  15           HA3      GLY  15   1.578   1.409  -0.678
  130    H    TYR  16           H        TYR  16   3.588  -0.815   0.748
  131    HA   TYR  16           HA       TYR  16   2.696  -3.109  -0.975
  132    HB2  TYR  16           HB2      TYR  16   5.093  -2.644  -0.290
  133    HB3  TYR  16           HB3      TYR  16   4.734  -3.125   1.336
  134    HD1  TYR  16           HD1      TYR  16   4.152  -5.587   1.820
  135    HD2  TYR  16           HD2      TYR  16   5.437  -4.317  -2.083
  136    HE1  TYR  16           HE1      TYR  16   4.659  -7.915   1.215
  137    HE2  TYR  16           HE2      TYR  16   5.974  -6.634  -2.660
  138    HH   TYR  16           HH       TYR  16   5.958  -8.751  -1.993
  139    H    ALA  17           H        ALA  17   2.475  -2.335   2.432
  140    HA   ALA  17           HA       ALA  17   1.367  -4.998   3.063
  141    HB1  ALA  17           HB1      ALA  17   3.028  -3.861   4.625
  142    HB2  ALA  17           HB2      ALA  17   1.799  -2.636   5.027
  143    HB3  ALA  17           HB3      ALA  17   1.568  -4.333   5.511
  144    H    PHE  18           H        PHE  18  -0.281  -3.496   1.804
  145    HA   PHE  18           HA       PHE  18  -2.439  -4.649   1.787
  146    HB2  PHE  18           HB2      PHE  18  -2.951  -2.912   4.209
  147    HB3  PHE  18           HB3      PHE  18  -4.332  -3.033   3.214
  148    HD1  PHE  18           HD2      PHE  18  -4.363  -5.950   2.329
  149    HD2  PHE  18           HD1      PHE  18  -3.494  -4.179   6.157
  150    HE1  PHE  18           HE2      PHE  18  -5.038  -8.024   3.453
  151    HE2  PHE  18           HE1      PHE  18  -4.188  -6.260   7.262
  152    HZ   PHE  18           HZ       PHE  18  -4.957  -8.187   5.919
  153    H    ILE  19           H        ILE  19  -1.683  -2.319   0.986
  154    HA   ILE  19           HA       ILE  19  -4.065  -1.110  -0.595
  155    HB   ILE  19           HB       ILE  19  -1.313   0.195  -0.893
  156   HG12  ILE  19          HG12      ILE  19  -3.533   1.056   1.032
  157   HG13  ILE  19          HG13      ILE  19  -1.945   0.435   1.473
  158   HG21  ILE  19          HG21      ILE  19  -2.973   0.520  -2.742
  159   HG22  ILE  19          HG22      ILE  19  -4.131   1.228  -1.603
  160   HG23  ILE  19          HG23      ILE  19  -2.568   2.037  -1.943
  161   HD11  ILE  19          HD11      ILE  19  -2.491   3.152   0.129
  162   HD12  ILE  19          HD12      ILE  19  -1.892   2.847   1.770
  163   HD13  ILE  19          HD13      ILE  19  -0.860   2.475   0.366
  164    H    GLU  20           H        GLU  20  -0.785  -2.088  -1.349
  165    HA   GLU  20           HA       GLU  20  -1.443  -2.913  -4.216
  166    HB2  GLU  20           HB2      GLU  20   0.756  -1.783  -3.451
  167    HB3  GLU  20           HB3      GLU  20   1.146  -3.215  -2.561
  168    HG2  GLU  20           HG2      GLU  20   1.133  -4.569  -4.738
  169    HG3  GLU  20           HG3      GLU  20   0.826  -3.096  -5.632
  170    HE2  GLU  20           HE2      GLU  20   2.548  -2.581  -6.525
  171    H    TYR  21           H        TYR  21  -0.356  -4.316  -1.273
  172    HA   TYR  21           HA       TYR  21  -1.506  -7.112  -2.045
  173    HB2  TYR  21           HB2      TYR  21   1.177  -6.783  -0.574
  174    HB3  TYR  21           HB3      TYR  21   0.358  -8.287  -0.863
  175    HD1  TYR  21           HD2      TYR  21  -0.020  -9.080  -3.326
  176    HD2  TYR  21           HD1      TYR  21   2.626  -5.854  -2.286
  177    HE1  TYR  21           HE2      TYR  21   1.169  -9.355  -5.464
  178    HE2  TYR  21           HE1      TYR  21   3.826  -6.160  -4.409
  179    HH   TYR  21           HH       TYR  21   3.950  -7.291  -6.304
  180    HXT  TYR  21           HXT      TYR  21  -1.333  -6.570   1.923
  Start of MODEL    3
    1    H1   ARG   1           H1       ARG   1  -9.876  -1.470   0.258
    2    H2   ARG   1           H2       ARG   1  -9.353  -2.212  -1.101
    3    HA   ARG   1           HA       ARG   1  -8.859  -3.136   1.663
    4    HB2  ARG   1           HB2      ARG   1  -9.119  -4.938  -0.122
    5    HB3  ARG   1           HB3      ARG   1  -7.745  -4.261  -0.986
    6    HG2  ARG   1           HG2      ARG   1  -6.272  -4.731   1.026
    7    HG3  ARG   1           HG3      ARG   1  -7.672  -5.340   1.913
    8    HD2  ARG   1           HD2      ARG   1  -7.975  -7.145   0.097
    9    HD3  ARG   1           HD3      ARG   1  -6.496  -6.544  -0.680
   10   HH11  ARG   1          HH12      ARG   1  -6.340  -8.748  -0.966
   11   HH12  ARG   1          HH11      ARG   1  -5.322 -10.162  -0.382
   12   HH21  ARG   1          HH21      ARG   1  -4.868  -8.782   2.729
   13   HH22  ARG   1          HH22      ARG   1  -4.539 -10.178   1.581
   14    H    ILE   2           H        ILE   2  -7.762  -1.483   2.509
   15    HA   ILE   2           HA       ILE   2  -5.390  -0.260   1.027
   16    HB   ILE   2           HB       ILE   2  -5.936   2.005   1.840
   17   HG12  ILE   2          HG12      ILE   2  -8.842   1.168   2.396
   18   HG13  ILE   2          HG13      ILE   2  -7.654   1.210   3.681
   19   HG21  ILE   2          HG21      ILE   2  -6.430   1.331  -0.513
   20   HG22  ILE   2          HG22      ILE   2  -8.098   0.923  -0.059
   21   HG23  ILE   2          HG23      ILE   2  -7.523   2.603   0.058
   22   HD11  ILE   2          HD11      ILE   2  -8.395   3.671   1.979
   23   HD12  ILE   2          HD12      ILE   2  -8.906   3.334   3.650
   24   HD13  ILE   2          HD13      ILE   2  -7.191   3.637   3.294
   25    H    HIS   3           H        HIS   3  -3.692   0.450   2.212
   26    HA   HIS   3           HA       HIS   3  -3.390  -0.479   5.034
   27    HB2  HIS   3           HB2      HIS   3  -1.601  -0.454   3.106
   28    HB3  HIS   3           HB3      HIS   3  -1.424   1.243   3.398
   29    HD2  HIS   3           HD2      HIS   3   1.130  -0.084   3.628
   30    HE1  HIS   3           HE1      HIS   3   0.707  -0.529   7.744
   31    HE2  HIS   3           HE2      HIS   3   2.477  -0.514   5.876
   32    H    MET   4           H        MET   4  -3.266   2.621   3.406
   33    HA   MET   4           HA       MET   4  -4.903   4.030   5.325
   34    HB2  MET   4           HB2      MET   4  -2.742   3.840   6.767
   35    HB3  MET   4           HB3      MET   4  -1.994   4.983   5.704
   36    HG2  MET   4           HG2      MET   4  -3.800   6.692   6.264
   37    HG3  MET   4           HG3      MET   4  -4.552   5.510   7.359
   38    HE1  MET   4           HE1      MET   4  -2.779   8.059   9.824
   39    HE2  MET   4           HE2      MET   4  -3.548   8.447   8.257
   40    HE3  MET   4           HE3      MET   4  -4.323   7.278   9.372
   41    H    VAL   5           H        VAL   5  -2.111   5.347   3.653
   42    HA   VAL   5           HA       VAL   5  -2.919   6.070   1.312
   43    HB   VAL   5           HB       VAL   5  -3.098   8.478   1.177
   44   HG11  VAL   5          HG11      VAL   5  -5.798   7.195   1.880
   45   HG12  VAL   5          HG12      VAL   5  -5.494   8.555   0.787
   46   HG13  VAL   5          HG13      VAL   5  -4.902   6.940   0.362
   47   HG21  VAL   5          HG21      VAL   5  -3.055   9.250   3.601
   48   HG22  VAL   5          HG22      VAL   5  -4.547   9.796   2.820
   49   HG23  VAL   5          HG23      VAL   5  -4.578   8.390   3.914
   50    H    TYR   6           H        TYR   6  -1.087   5.567   1.328
   51    HA   TYR   6           HA       TYR   6   1.309   6.832   2.748
   52    HB2  TYR   6           HB2      TYR   6   0.676   4.084   1.497
   53    HB3  TYR   6           HB3      TYR   6   2.304   4.572   1.498
   54    HD1  TYR   6           HD2      TYR   6  -0.605   3.743   3.677
   55    HD2  TYR   6           HD1      TYR   6   3.600   4.649   3.653
   56    HE1  TYR   6           HE2      TYR   6  -0.408   2.934   5.989
   57    HE2  TYR   6           HE1      TYR   6   3.788   3.810   5.953
   58    HH   TYR   6           HH       TYR   6   2.715   2.931   7.692
   59    H    SER   7           H        SER   7   0.807   5.415  -0.350
   60    HA   SER   7           HA       SER   7   2.154   7.739  -1.830
   61    HB2  SER   7           HB2      SER   7   3.331   4.901  -2.048
   62    HB3  SER   7           HB3      SER   7   3.773   6.269  -3.073
   63    HG   SER   7           HG       SER   7   4.227   7.399  -1.032
   64    H    LYS   8           H        LYS   8   1.116   4.485  -2.656
   65    HA   LYS   8           HA       LYS   8  -0.762   5.520  -4.804
   66    HB2  LYS   8           HB2      LYS   8   1.468   5.694  -5.811
   67    HB3  LYS   8           HB3      LYS   8   1.874   4.027  -5.448
   68    HG2  LYS   8           HG2      LYS   8   1.524   4.341  -7.810
   69    HG3  LYS   8           HG3      LYS   8   0.275   3.275  -7.220
   70    HD2  LYS   8           HD2      LYS   8  -1.338   5.303  -7.167
   71    HD3  LYS   8           HD3      LYS   8  -0.041   6.298  -7.829
   72    HE2  LYS   8           HE2      LYS   8   0.045   4.824  -9.896
   73    HE3  LYS   8           HE3      LYS   8  -1.222   3.789  -9.219
   74    HZ1  LYS   8           HZ1      LYS   8  -1.517   6.678  -9.845
   75    HZ3  LYS   8           HZ3      LYS   8  -2.098   5.445 -10.748
   76    H    ARG   9           H        ARG   9  -1.442   3.736  -6.132
   77    HA   ARG   9           HA       ARG   9  -3.007   1.632  -4.713
   78    HB2  ARG   9           HB2      ARG   9  -2.471   2.246  -7.669
   79    HB3  ARG   9           HB3      ARG   9  -3.221   0.746  -7.212
   80    HG2  ARG   9           HG2      ARG   9  -5.070   2.010  -6.007
   81    HG3  ARG   9           HG3      ARG   9  -4.312   3.540  -6.454
   82    HD2  ARG   9           HD2      ARG   9  -4.602   2.997  -8.899
   83    HD3  ARG   9           HD3      ARG   9  -5.322   1.443  -8.509
   84   HH11  ARG   9          HH11      ARG   9  -6.945   0.747  -7.401
   85   HH12  ARG   9          HH12      ARG   9  -8.745   0.978  -7.125
   86   HH21  ARG   9          HH22      ARG   9  -8.623   4.318  -7.914
   87   HH22  ARG   9          HH21      ARG   9  -9.636   2.875  -7.396
   88    H    SER  10           H        SER  10  -0.714   0.925  -7.272
   89    HA   SER  10           HA       SER  10   0.678  -1.227  -5.667
   90    HB2  SER  10           HB2      SER  10   2.233  -1.485  -7.542
   91    HB3  SER  10           HB3      SER  10   0.562  -1.572  -8.087
   92    HG   SER  10           HG       SER  10   2.165   0.779  -8.173
   93    H    GLY  11           H        GLY  11   1.994  -0.620  -4.024
   94    HA2  GLY  11           HA2      GLY  11   3.372   2.133  -4.047
   95    HA3  GLY  11           HA3      GLY  11   2.537   1.558  -2.627
   96    H    LYS  12           H        LYS  12   4.393  -0.374  -4.759
   97    HA   LYS  12           HA       LYS  12   5.848  -2.080  -3.945
   98    HB2  LYS  12           HB2      LYS  12   7.395   0.208  -5.206
   99    HB3  LYS  12           HB3      LYS  12   8.215  -1.260  -4.744
  100    HG2  LYS  12           HG2      LYS  12   7.732  -1.561  -6.998
  101    HG3  LYS  12           HG3      LYS  12   6.645  -2.647  -6.154
  102    HD2  LYS  12           HD2      LYS  12   4.738  -1.038  -6.518
  103    HD3  LYS  12           HD3      LYS  12   5.811   0.121  -7.283
  104    HE2  LYS  12           HE2      LYS  12   5.232  -2.736  -8.347
  105    HE3  LYS  12           HE3      LYS  12   4.368  -1.287  -8.854
  106    HZ1  LYS  12           HZ1      LYS  12   7.278  -1.737  -9.215
  107    HZ3  LYS  12           HZ3      LYS  12   6.139  -1.864 -10.381
  108    HA   PRO  13           HA       PRO  13   8.536  -1.264  -0.204
  109    HB2  PRO  13           HB3      PRO  13   9.489   1.154   0.633
  110    HB3  PRO  13           HB2      PRO  13  10.174   0.268  -0.738
  111    HG2  PRO  13           HG2      PRO  13   8.208   2.613  -0.833
  112    HG3  PRO  13           HG3      PRO  13   9.687   2.388  -1.786
  113    HD2  PRO  13           HD2      PRO  13   7.119   1.733  -2.731
  114    HD3  PRO  13           HD3      PRO  13   8.608   0.925  -3.302
  115    H    ARG  14           H        ARG  14   6.786   1.762   0.147
  116    HA   ARG  14           HA       ARG  14   5.991   1.015   2.920
  117    HB2  ARG  14           HB2      ARG  14   5.767   3.368   3.346
  118    HB3  ARG  14           HB3      ARG  14   7.155   3.067   2.316
  119    HG2  ARG  14           HG2      ARG  14   5.780   3.878   0.292
  120    HG3  ARG  14           HG3      ARG  14   4.574   4.410   1.448
  121    HD2  ARG  14           HD2      ARG  14   5.882   6.362   1.005
  122    HD3  ARG  14           HD3      ARG  14   6.347   5.847   2.607
  123   HH11  ARG  14          HH11      ARG  14   6.515   5.891  -0.994
  124   HH12  ARG  14          HH12      ARG  14   7.995   5.936  -2.081
  125   HH21  ARG  14          HH22      ARG  14  10.158   5.417   0.536
  126   HH22  ARG  14          HH21      ARG  14   9.929   5.683  -1.268
  127    H    GLY  15           H        GLY  15   4.320   2.128   0.403
  128    HA2  GLY  15           HA2      GLY  15   1.446   1.768   1.436
  129    HA3  GLY  15           HA3      GLY  15   1.840   2.287  -0.192
  130    H    TYR  16           H        TYR  16   3.713  -0.324   0.591
  131    HA   TYR  16           HA       TYR  16   2.308  -2.177  -1.324
  132    HB2  TYR  16           HB2      TYR  16   4.758  -2.065  -1.175
  133    HB3  TYR  16           HB3      TYR  16   4.771  -2.622   0.474
  134    HD1  TYR  16           HD1      TYR  16   4.406  -3.637  -3.064
  135    HD2  TYR  16           HD2      TYR  16   4.270  -5.054   0.989
  136    HE1  TYR  16           HE1      TYR  16   4.527  -5.958  -3.867
  137    HE2  TYR  16           HE2      TYR  16   4.381  -7.370   0.179
  138    HH   TYR  16           HH       TYR  16   4.508  -8.700  -1.596
  139    H    ALA  17           H        ALA  17   2.800  -2.090   2.145
  140    HA   ALA  17           HA       ALA  17   1.640  -4.747   2.483
  141    HB1  ALA  17           HB1      ALA  17   2.424  -2.819   4.770
  142    HB2  ALA  17           HB2      ALA  17   2.215  -4.577   4.929
  143    HB3  ALA  17           HB3      ALA  17   3.544  -3.934   3.950
  144    H    PHE  18           H        PHE  18  -0.116  -3.051   1.730
  145    HA   PHE  18           HA       PHE  18  -2.253  -4.346   1.995
  146    HB2  PHE  18           HB2      PHE  18  -2.350  -2.592   4.425
  147    HB3  PHE  18           HB3      PHE  18  -3.862  -2.555   3.636
  148    HD1  PHE  18           HD1      PHE  18  -4.839  -5.045   2.883
  149    HD2  PHE  18           HD2      PHE  18  -2.234  -4.236   6.209
  150    HE1  PHE  18           HE1      PHE  18  -5.631  -7.081   4.012
  151    HE2  PHE  18           HE2      PHE  18  -3.027  -6.285   7.316
  152    HZ   PHE  18           HZ       PHE  18  -4.723  -7.712   6.220
  153    H    ILE  19           H        ILE  19  -1.537  -2.063   1.035
  154    HA   ILE  19           HA       ILE  19  -4.013  -1.119  -0.571
  155    HB   ILE  19           HB       ILE  19  -1.442   0.276  -1.383
  156   HG12  ILE  19          HG12      ILE  19  -3.325   1.371   0.777
  157   HG13  ILE  19          HG13      ILE  19  -1.709   0.731   1.068
  158   HG21  ILE  19          HG21      ILE  19  -3.020   1.937  -2.328
  159   HG22  ILE  19          HG22      ILE  19  -3.464   0.322  -2.892
  160   HG23  ILE  19          HG23      ILE  19  -4.411   1.086  -1.604
  161   HD11  ILE  19          HD11      ILE  19  -1.571   3.163   1.047
  162   HD12  ILE  19          HD12      ILE  19  -0.690   2.539  -0.370
  163   HD13  ILE  19          HD13      ILE  19  -2.306   3.266  -0.567
  164    H    GLU  20           H        GLU  20  -0.739  -2.118  -1.347
  165    HA   GLU  20           HA       GLU  20  -1.529  -3.247  -4.057
  166    HB2  GLU  20           HB2      GLU  20   0.836  -2.277  -3.382
  167    HB3  GLU  20           HB3      GLU  20   1.153  -3.811  -2.639
  168    HG2  GLU  20           HG2      GLU  20   0.753  -5.018  -4.809
  169    HG3  GLU  20           HG3      GLU  20   0.320  -3.516  -5.609
  170    HE2  GLU  20           HE2      GLU  20   2.368  -5.512  -5.861
  171    H    TYR  21           H        TYR  21  -0.643  -4.362  -0.958
  172    HA   TYR  21           HA       TYR  21  -1.292  -7.316  -1.396
  173    HB2  TYR  21           HB2      TYR  21   0.498  -6.721   0.182
  174    HB3  TYR  21           HB3      TYR  21  -0.562  -5.719   1.127
  175    HD1  TYR  21           HD1      TYR  21  -0.055  -9.321   0.073
  176    HD2  TYR  21           HD2      TYR  21  -1.743  -6.654   3.000
  177    HE1  TYR  21           HE1      TYR  21  -0.568 -11.231   1.536
  178    HE2  TYR  21           HE2      TYR  21  -2.234  -8.564   4.453
  179    HH   TYR  21           HH       TYR  21  -2.128 -10.768   4.704
  180    HXT  TYR  21           HXT      TYR  21  -3.208  -7.022  -2.247
  Start of MODEL    4
    1    H1   ARG   1           H1       ARG   1 -10.079  -1.171   1.828
    2    H2   ARG   1           H2       ARG   1 -10.208  -1.633   0.264
    3    HA   ARG   1           HA       ARG   1  -9.041  -3.268   2.442
    4    HB2  ARG   1           HB2      ARG   1 -10.289  -4.507   0.648
    5    HB3  ARG   1           HB3      ARG   1  -9.247  -3.843  -0.586
    6    HG2  ARG   1           HG2      ARG   1  -8.124  -5.488   1.777
    7    HG3  ARG   1           HG3      ARG   1  -8.895  -6.287   0.429
    8    HD2  ARG   1           HD2      ARG   1  -6.429  -4.473   0.173
    9    HD3  ARG   1           HD3      ARG   1  -6.384  -6.228   0.266
   10   HH11  ARG   1          HH12      ARG   1  -4.980  -4.332  -1.229
   11   HH12  ARG   1          HH11      ARG   1  -4.627  -4.190  -3.024
   12   HH21  ARG   1          HH21      ARG   1  -7.551  -5.749  -3.912
   13   HH22  ARG   1          HH22      ARG   1  -5.988  -4.944  -4.447
   14    H    ILE   2           H        ILE   2  -7.780  -1.550   3.096
   15    HA   ILE   2           HA       ILE   2  -5.397  -0.830   1.387
   16    HB   ILE   2           HB       ILE   2  -5.566   1.626   1.906
   17   HG12  ILE   2          HG12      ILE   2  -7.850   2.678   2.183
   18   HG13  ILE   2          HG13      ILE   2  -8.515   1.125   2.648
   19   HG21  ILE   2          HG21      ILE   2  -6.919   2.197  -0.010
   20   HG22  ILE   2          HG22      ILE   2  -6.137   0.641  -0.347
   21   HG23  ILE   2          HG23      ILE   2  -7.853   0.687   0.097
   22   HD11  ILE   2          HD11      ILE   2  -7.979   2.703   4.577
   23   HD12  ILE   2          HD12      ILE   2  -7.150   1.149   4.748
   24   HD13  ILE   2          HD13      ILE   2  -6.248   2.582   4.189
   25    H    HIS   3           H        HIS   3  -3.660   0.202   2.528
   26    HA   HIS   3           HA       HIS   3  -3.406  -0.742   5.396
   27    HB2  HIS   3           HB2      HIS   3  -1.597  -1.201   3.590
   28    HB3  HIS   3           HB3      HIS   3  -1.182   0.478   3.653
   29    HD2  HIS   3           HD2      HIS   3  -1.265  -2.724   5.933
   30    HE1  HIS   3           HE1      HIS   3   1.537  -0.132   7.589
   31    HE2  HIS   3           HE2      HIS   3   0.584  -2.510   7.826
   32    H    MET   4           H        MET   4  -2.555   2.168   3.627
   33    HA   MET   4           HA       MET   4  -3.902   3.951   5.672
   34    HB2  MET   4           HB2      MET   4  -0.897   4.336   5.131
   35    HB3  MET   4           HB3      MET   4  -1.927   5.475   5.974
   36    HG2  MET   4           HG2      MET   4  -1.248   2.649   6.978
   37    HG3  MET   4           HG3      MET   4  -0.568   4.170   7.569
   38    HE1  MET   4           HE1      MET   4  -3.094   2.785  10.394
   39    HE2  MET   4           HE2      MET   4  -2.264   1.753   9.192
   40    HE3  MET   4           HE3      MET   4  -1.374   3.084   9.998
   41    H    VAL   5           H        VAL   5  -1.679   5.396   3.378
   42    HA   VAL   5           HA       VAL   5  -2.843   5.701   1.184
   43    HB   VAL   5           HB       VAL   5  -3.695   7.963   0.927
   44   HG11  VAL   5          HG11      VAL   5  -5.879   6.044   1.910
   45   HG12  VAL   5          HG12      VAL   5  -6.029   7.349   0.723
   46   HG13  VAL   5          HG13      VAL   5  -5.038   5.929   0.344
   47   HG21  VAL   5          HG21      VAL   5  -5.337   8.948   2.610
   48   HG22  VAL   5          HG22      VAL   5  -4.911   7.670   3.775
   49   HG23  VAL   5          HG23      VAL   5  -3.707   8.886   3.297
   50    H    TYR   6           H        TYR   6  -0.931   5.754   0.968
   51    HA   TYR   6           HA       TYR   6   1.120   7.685   2.165
   52    HB2  TYR   6           HB2      TYR   6   1.288   4.963   0.695
   53    HB3  TYR   6           HB3      TYR   6   2.666   5.951   0.794
   54    HD1  TYR   6           HD1      TYR   6   3.381   6.729   3.328
   55    HD2  TYR   6           HD2      TYR   6   0.742   3.448   2.464
   56    HE1  TYR   6           HE1      TYR   6   3.896   5.724   5.515
   57    HE2  TYR   6           HE2      TYR   6   1.271   2.451   4.633
   58    HH   TYR   6           HH       TYR   6   2.414   2.639   6.518
   59    H    SER   7           H        SER   7   0.769   6.197  -0.864
   60    HA   SER   7           HA       SER   7   0.851   8.823  -2.450
   61    HB2  SER   7           HB2      SER   7   3.033   6.706  -2.939
   62    HB3  SER   7           HB3      SER   7   2.729   8.107  -3.970
   63    HG   SER   7           HG       SER   7   3.006   9.400  -2.023
   64    H    LYS   8           H        LYS   8   1.088   5.401  -3.213
   65    HA   LYS   8           HA       LYS   8  -1.168   5.705  -5.286
   66    HB2  LYS   8           HB2      LYS   8   0.981   6.023  -6.335
   67    HB3  LYS   8           HB3      LYS   8   1.672   4.538  -5.679
   68    HG2  LYS   8           HG2      LYS   8   0.181   3.221  -7.206
   69    HG3  LYS   8           HG3      LYS   8  -0.601   4.706  -7.763
   70    HD2  LYS   8           HD2      LYS   8   1.637   5.491  -8.699
   71    HD3  LYS   8           HD3      LYS   8   2.401   4.045  -8.057
   72    HE2  LYS   8           HE2      LYS   8   2.071   3.626 -10.394
   73    HE3  LYS   8           HE3      LYS   8   0.926   2.590  -9.548
   74    HZ1  LYS   8           HZ1      LYS   8   0.279   5.214 -10.798
   75    HZ3  LYS   8           HZ3      LYS   8  -0.800   4.274 -10.010
   76    H    ARG   9           H        ARG   9  -1.612   3.638  -6.227
   77    HA   ARG   9           HA       ARG   9  -2.661   1.606  -4.280
   78    HB2  ARG   9           HB2      ARG   9  -2.895   1.943  -7.278
   79    HB3  ARG   9           HB3      ARG   9  -2.966   0.310  -6.716
   80    HG2  ARG   9           HG2      ARG   9  -4.764   2.478  -5.473
   81    HG3  ARG   9           HG3      ARG   9  -5.224   1.600  -6.925
   82    HD2  ARG   9           HD2      ARG   9  -5.253  -0.567  -5.789
   83    HD3  ARG   9           HD3      ARG   9  -4.450   0.078  -4.363
   84   HH11  ARG   9          HH11      ARG   9  -5.613  -1.372  -3.318
   85   HH12  ARG   9          HH12      ARG   9  -7.073  -1.510  -2.215
   86   HH21  ARG   9          HH22      ARG   9  -8.634   1.203  -3.626
   87   HH22  ARG   9          HH21      ARG   9  -8.675  -0.151  -2.383
   88    H    SER  10           H        SER  10  -0.582   1.008  -7.044
   89    HA   SER  10           HA       SER  10   1.043  -1.051  -5.632
   90    HB2  SER  10           HB2      SER  10   1.646   0.402  -8.274
   91    HB3  SER  10           HB3      SER  10   2.624  -0.907  -7.599
   92    HG   SER  10           HG       SER  10   1.054  -1.642  -9.063
   93    H    GLY  11           H        GLY  11   2.458  -0.620  -4.030
   94    HA2  GLY  11           HA2      GLY  11   4.229   1.876  -4.158
   95    HA3  GLY  11           HA3      GLY  11   3.193   1.701  -2.756
   96    H    LYS  12           H        LYS  12   4.925  -0.731  -4.519
   97    HA   LYS  12           HA       LYS  12   6.032  -2.527  -3.354
   98    HB2  LYS  12           HB2      LYS  12   8.140  -0.642  -4.471
   99    HB3  LYS  12           HB3      LYS  12   8.448  -2.319  -4.077
  100    HG2  LYS  12           HG2      LYS  12   6.444  -1.321  -6.189
  101    HG3  LYS  12           HG3      LYS  12   8.060  -1.929  -6.495
  102    HD2  LYS  12           HD2      LYS  12   7.414  -4.187  -5.565
  103    HD3  LYS  12           HD3      LYS  12   5.774  -3.631  -5.281
  104    HE2  LYS  12           HE2      LYS  12   7.118  -3.731  -8.069
  105    HE3  LYS  12           HE3      LYS  12   6.091  -4.997  -7.401
  106    HZ1  LYS  12           HZ1      LYS  12   5.211  -2.204  -7.876
  107    HZ3  LYS  12           HZ3      LYS  12   4.278  -3.388  -7.248
  108    HA   PRO  13           HA       PRO  13   8.493  -1.657   0.532
  109    HB2  PRO  13           HB3      PRO  13   9.452   0.774   1.342
  110    HB3  PRO  13           HB2      PRO  13  10.251  -0.230   0.124
  111    HG2  PRO  13           HG2      PRO  13   8.415   2.173  -0.363
  112    HG3  PRO  13           HG3      PRO  13   9.994   1.835  -1.103
  113    HD2  PRO  13           HD2      PRO  13   7.571   1.214  -2.355
  114    HD3  PRO  13           HD3      PRO  13   9.067   0.271  -2.626
  115    H    ARG  14           H        ARG  14   6.852   1.453   0.547
  116    HA   ARG  14           HA       ARG  14   5.617   0.809   3.199
  117    HB2  ARG  14           HB2      ARG  14   5.419   3.146   3.583
  118    HB3  ARG  14           HB3      ARG  14   6.949   2.844   2.762
  119    HG2  ARG  14           HG2      ARG  14   6.000   3.752   0.608
  120    HG3  ARG  14           HG3      ARG  14   4.510   4.134   1.476
  121    HD2  ARG  14           HD2      ARG  14   5.879   5.568   3.103
  122    HD3  ARG  14           HD3      ARG  14   7.287   5.338   2.051
  123   HH11  ARG  14          HH11      ARG  14   6.450   7.576   3.307
  124   HH12  ARG  14          HH12      ARG  14   5.990   9.266   2.759
  125   HH21  ARG  14          HH22      ARG  14   4.861   8.172  -0.293
  126   HH22  ARG  14          HH21      ARG  14   5.150   9.581   0.850
  127    H    GLY  15           H        GLY  15   4.433   1.937   0.436
  128    HA2  GLY  15           HA2      GLY  15   1.426   1.774   0.992
  129    HA3  GLY  15           HA3      GLY  15   2.105   2.215  -0.562
  130    H    TYR  16           H        TYR  16   3.670  -0.477   0.555
  131    HA   TYR  16           HA       TYR  16   2.241  -2.308  -1.393
  132    HB2  TYR  16           HB2      TYR  16   4.653  -2.421  -1.252
  133    HB3  TYR  16           HB3      TYR  16   4.637  -2.920   0.422
  134    HD1  TYR  16           HD1      TYR  16   3.858  -5.285   1.005
  135    HD2  TYR  16           HD2      TYR  16   4.145  -3.997  -3.086
  136    HE1  TYR  16           HE1      TYR  16   3.599  -7.607   0.251
  137    HE2  TYR  16           HE2      TYR  16   3.890  -6.327  -3.831
  138    HH   TYR  16           HH       TYR  16   3.489  -8.981  -1.490
  139    H    ALA  17           H        ALA  17   2.638  -2.185   2.089
  140    HA   ALA  17           HA       ALA  17   1.545  -4.804   2.433
  141    HB1  ALA  17           HB1      ALA  17   1.892  -4.476   4.933
  142    HB2  ALA  17           HB2      ALA  17   3.238  -3.765   4.028
  143    HB3  ALA  17           HB3      ALA  17   1.958  -2.715   4.688
  144    H    PHE  18           H        PHE  18  -0.280  -3.251   1.547
  145    HA   PHE  18           HA       PHE  18  -2.372  -4.587   1.517
  146    HB2  PHE  18           HB2      PHE  18  -2.738  -3.183   4.132
  147    HB3  PHE  18           HB3      PHE  18  -4.178  -3.062   3.230
  148    HD1  PHE  18           HD2      PHE  18  -5.064  -5.369   2.076
  149    HD2  PHE  18           HD1      PHE  18  -2.638  -5.150   5.616
  150    HE1  PHE  18           HE2      PHE  18  -5.805  -7.623   2.727
  151    HE2  PHE  18           HE1      PHE  18  -3.386  -7.404   6.258
  152    HZ   PHE  18           HZ       PHE  18  -4.963  -8.648   4.815
  153    H    ILE  19           H        ILE  19  -1.661  -2.186   0.923
  154    HA   ILE  19           HA       ILE  19  -4.031  -0.936  -0.622
  155    HB   ILE  19           HB       ILE  19  -1.392   0.419  -1.199
  156   HG12  ILE  19          HG12      ILE  19  -3.085   1.121   1.250
  157   HG13  ILE  19          HG13      ILE  19  -1.443   0.483   1.269
  158   HG21  ILE  19          HG21      ILE  19  -4.220   1.611  -1.055
  159   HG22  ILE  19          HG22      ILE  19  -2.781   2.260  -1.888
  160   HG23  ILE  19          HG23      ILE  19  -3.588   0.810  -2.499
  161   HD11  ILE  19          HD11      ILE  19  -1.363   2.892   1.716
  162   HD12  ILE  19          HD12      ILE  19  -0.615   2.607   0.120
  163   HD13  ILE  19          HD13      ILE  19  -2.262   3.273   0.237
  164    H    GLU  20           H        GLU  20  -0.788  -2.001  -1.427
  165    HA   GLU  20           HA       GLU  20  -1.597  -2.877  -4.246
  166    HB2  GLU  20           HB2      GLU  20   0.808  -2.052  -3.584
  167    HB3  GLU  20           HB3      GLU  20   1.049  -3.597  -2.831
  168    HG2  GLU  20           HG2      GLU  20   0.556  -4.779  -5.026
  169    HG3  GLU  20           HG3      GLU  20   0.325  -3.230  -5.817
  170    HE2  GLU  20           HE2      GLU  20   2.140  -5.447  -6.009
  171    H    TYR  21           H        TYR  21  -0.657  -4.238  -1.254
  172    HA   TYR  21           HA       TYR  21  -0.993  -7.125  -1.963
  173    HB2  TYR  21           HB2      TYR  21   0.630  -6.408  -0.277
  174    HB3  TYR  21           HB3      TYR  21  -0.604  -5.746   0.750
  175    HD1  TYR  21           HD2      TYR  21   0.805  -8.967  -0.548
  176    HD2  TYR  21           HD1      TYR  21  -1.798  -7.129   2.348
  177    HE1  TYR  21           HE2      TYR  21   0.690 -11.081   0.710
  178    HE2  TYR  21           HE1      TYR  21  -1.902  -9.241   3.589
  179    HH   TYR  21           HH       TYR  21  -1.232 -11.357   3.695
  180    HXT  TYR  21           HXT      TYR  21  -4.348  -7.607  -1.736
  Start of MODEL    5
    1    H1   ARG   1           H1       ARG   1 -10.255  -1.286   2.224
    2    H2   ARG   1           H2       ARG   1 -10.993  -2.718   1.938
    3    HA   ARG   1           HA       ARG   1  -8.947  -3.089   3.079
    4    HB2  ARG   1           HB2      ARG   1  -9.866  -4.749   1.396
    5    HB3  ARG   1           HB3      ARG   1  -8.863  -4.029   0.144
    6    HG2  ARG   1           HG2      ARG   1  -6.797  -4.631   1.558
    7    HG3  ARG   1           HG3      ARG   1  -7.858  -5.423   2.719
    8    HD2  ARG   1           HD2      ARG   1  -8.651  -7.004   0.907
    9    HD3  ARG   1           HD3      ARG   1  -7.638  -6.200  -0.281
   10   HH11  ARG   1          HH12      ARG   1  -5.613  -5.776  -0.541
   11   HH12  ARG   1          HH11      ARG   1  -3.947  -6.548  -0.513
   12   HH21  ARG   1          HH21      ARG   1  -4.847  -8.835   1.887
   13   HH22  ARG   1          HH22      ARG   1  -3.544  -8.178   0.769
   14    H    ILE   2           H        ILE   2  -7.627  -1.432   3.616
   15    HA   ILE   2           HA       ILE   2  -5.487  -0.592   1.650
   16    HB   ILE   2           HB       ILE   2  -5.576   1.824   2.407
   17   HG12  ILE   2          HG12      ILE   2  -7.840   2.808   2.985
   18   HG13  ILE   2          HG13      ILE   2  -8.423   1.212   3.411
   19   HG21  ILE   2          HG21      ILE   2  -7.172   2.515   0.704
   20   HG22  ILE   2          HG22      ILE   2  -6.311   1.070   0.152
   21   HG23  ILE   2          HG23      ILE   2  -7.984   0.931   0.737
   22   HD11  ILE   2          HD11      ILE   2  -7.702   2.665   5.376
   23   HD12  ILE   2          HD12      ILE   2  -6.824   1.128   5.342
   24   HD13  ILE   2          HD13      ILE   2  -6.024   2.623   4.786
   25    H    HIS   3           H        HIS   3  -3.561   0.122   2.471
   26    HA   HIS   3           HA       HIS   3  -2.817  -0.782   5.238
   27    HB2  HIS   3           HB2      HIS   3  -1.336  -1.034   3.115
   28    HB3  HIS   3           HB3      HIS   3  -1.058   0.672   3.151
   29    HD2  HIS   3           HD2      HIS   3   0.633   1.637   5.001
   30    HE1  HIS   3           HE1      HIS   3   1.802  -1.994   6.668
   31    HE2  HIS   3           HE2      HIS   3   2.403   0.510   6.644
   32    H    MET   4           H        MET   4  -2.595   2.223   3.446
   33    HA   MET   4           HA       MET   4  -3.839   3.825   5.611
   34    HB2  MET   4           HB2      MET   4  -1.350   3.640   6.384
   35    HB3  MET   4           HB3      MET   4  -0.916   4.622   5.012
   36    HG2  MET   4           HG2      MET   4  -2.614   6.423   5.970
   37    HG3  MET   4           HG3      MET   4  -2.696   5.401   7.410
   38    HE1  MET   4           HE1      MET   4  -0.018   6.981   4.854
   39    HE2  MET   4           HE2      MET   4  -0.887   8.297   5.699
   40    HE3  MET   4           HE3      MET   4   0.855   8.026   6.011
   41    H    VAL   5           H        VAL   5  -1.714   5.510   3.437
   42    HA   VAL   5           HA       VAL   5  -2.692   5.607   1.134
   43    HB   VAL   5           HB       VAL   5  -3.708   7.762   0.668
   44   HG11  VAL   5          HG11      VAL   5  -4.803   5.579   0.086
   45   HG12  VAL   5          HG12      VAL   5  -5.808   5.705   1.550
   46   HG13  VAL   5          HG13      VAL   5  -5.942   6.924   0.273
   47   HG21  VAL   5          HG21      VAL   5  -4.032   8.790   2.975
   48   HG22  VAL   5          HG22      VAL   5  -5.586   8.673   2.134
   49   HG23  VAL   5          HG23      VAL   5  -5.168   7.493   3.403
   50    H    TYR   6           H        TYR   6  -0.779   5.822   1.089
   51    HA   TYR   6           HA       TYR   6   0.959   8.021   2.330
   52    HB2  TYR   6           HB2      TYR   6   1.511   5.207   1.188
   53    HB3  TYR   6           HB3      TYR   6   2.771   6.352   1.099
   54    HD1  TYR   6           HD1      TYR   6   3.444   7.606   3.382
   55    HD2  TYR   6           HD2      TYR   6   1.189   3.942   3.235
   56    HE1  TYR   6           HE1      TYR   6   4.132   7.082   5.681
   57    HE2  TYR   6           HE2      TYR   6   1.889   3.437   5.541
   58    HH   TYR   6           HH       TYR   6   3.992   5.640   7.368
   59    H    SER   7           H        SER   7   0.967   6.354  -0.668
   60    HA   SER   7           HA       SER   7   0.949   8.895  -2.351
   61    HB2  SER   7           HB2      SER   7   3.447   7.100  -2.390
   62    HB3  SER   7           HB3      SER   7   3.080   8.298  -3.635
   63    HG   SER   7           HG       SER   7   3.042   9.014  -0.909
   64    H    LYS   8           H        LYS   8   1.740   5.514  -2.896
   65    HA   LYS   8           HA       LYS   8  -0.298   5.474  -5.201
   66    HB2  LYS   8           HB2      LYS   8   1.943   5.831  -6.004
   67    HB3  LYS   8           HB3      LYS   8   2.583   4.369  -5.243
   68    HG2  LYS   8           HG2      LYS   8   1.196   3.015  -6.869
   69    HG3  LYS   8           HG3      LYS   8   0.475   4.495  -7.508
   70    HD2  LYS   8           HD2      LYS   8   2.786   5.264  -8.272
   71    HD3  LYS   8           HD3      LYS   8   3.480   3.802  -7.587
   72    HE2  LYS   8           HE2      LYS   8   3.303   3.402  -9.942
   73    HE3  LYS   8           HE3      LYS   8   2.076   2.387  -9.188
   74    HZ1  LYS   8           HZ1      LYS   8   1.193   3.509 -11.105
   75    HZ3  LYS   8           HZ3      LYS   8   0.416   4.069  -9.779
   76    H    ARG   9           H        ARG   9  -0.670   3.461  -5.993
   77    HA   ARG   9           HA       ARG   9  -1.927   1.650  -3.898
   78    HB2  ARG   9           HB2      ARG   9  -2.321   1.956  -6.919
   79    HB3  ARG   9           HB3      ARG   9  -2.781   0.471  -6.154
   80    HG2  ARG   9           HG2      ARG   9  -4.708   1.890  -6.386
   81    HG3  ARG   9           HG3      ARG   9  -4.440   1.589  -4.694
   82    HD2  ARG   9           HD2      ARG   9  -3.518   4.192  -6.087
   83    HD3  ARG   9           HD3      ARG   9  -5.159   3.986  -5.473
   84   HH11  ARG   9          HH11      ARG   9  -3.576   6.156  -5.345
   85   HH12  ARG   9          HH12      ARG   9  -2.944   7.206  -3.977
   86   HH21  ARG   9          HH22      ARG   9  -2.973   4.614  -1.728
   87   HH22  ARG   9          HH21      ARG   9  -2.638   6.392  -2.055
   88    H    SER  10           H        SER  10  -0.385   0.631  -6.882
   89    HA   SER  10           HA       SER  10   1.311  -1.466  -5.532
   90    HB2  SER  10           HB2      SER  10   2.360  -1.855  -7.715
   91    HB3  SER  10           HB3      SER  10   0.607  -1.868  -7.860
   92    HG   SER  10           HG       SER  10   2.242   0.389  -8.400
   93    H    GLY  11           H        GLY  11   2.864  -0.700  -4.133
   94    HA2  GLY  11           HA2      GLY  11   4.648   1.650  -4.880
   95    HA3  GLY  11           HA3      GLY  11   3.561   1.937  -3.528
   96    H    LYS  12           H        LYS  12   5.346  -0.758  -4.587
   97    HA   LYS  12           HA       LYS  12   6.159  -2.447  -3.225
   98    HB2  LYS  12           HB2      LYS  12   8.573  -0.744  -3.926
   99    HB3  LYS  12           HB3      LYS  12   8.720  -2.369  -3.304
  100    HG2  LYS  12           HG2      LYS  12   7.348  -1.553  -5.926
  101    HG3  LYS  12           HG3      LYS  12   8.923  -2.290  -5.759
  102    HD2  LYS  12           HD2      LYS  12   6.220  -3.644  -5.139
  103    HD3  LYS  12           HD3      LYS  12   7.218  -3.887  -6.560
  104    HE2  LYS  12           HE2      LYS  12   9.085  -4.837  -5.083
  105    HE3  LYS  12           HE3      LYS  12   8.030  -4.654  -3.672
  106    HZ1  LYS  12           HZ1      LYS  12   6.419  -6.118  -4.770
  107    HZ3  LYS  12           HZ3      LYS  12   7.396  -6.295  -6.067
  108    HA   PRO  13           HA       PRO  13   7.820  -1.645   1.055
  109    HB2  PRO  13           HB3      PRO  13   8.800   0.723   2.029
  110    HB3  PRO  13           HB2      PRO  13   9.733  -0.378   1.006
  111    HG2  PRO  13           HG2      PRO  13   8.238   2.151   0.131
  112    HG3  PRO  13           HG3      PRO  13   9.903   1.673  -0.264
  113    HD2  PRO  13           HD2      PRO  13   7.767   1.204  -1.995
  114    HD3  PRO  13           HD3      PRO  13   9.182   0.114  -1.909
  115    H    ARG  14           H        ARG  14   6.461   1.580   0.746
  116    HA   ARG  14           HA       ARG  14   4.889   1.108   3.221
  117    HB2  ARG  14           HB2      ARG  14   4.939   3.465   3.591
  118    HB3  ARG  14           HB3      ARG  14   6.472   2.977   2.881
  119    HG2  ARG  14           HG2      ARG  14   5.795   3.930   0.651
  120    HG3  ARG  14           HG3      ARG  14   4.311   4.518   1.404
  121    HD2  ARG  14           HD2      ARG  14   5.750   5.801   3.108
  122    HD3  ARG  14           HD3      ARG  14   7.180   5.355   2.163
  123   HH11  ARG  14          HH11      ARG  14   6.662   7.698   3.310
  124   HH12  ARG  14          HH12      ARG  14   6.541   9.426   2.701
  125   HH21  ARG  14          HH22      ARG  14   5.402   8.455  -0.389
  126   HH22  ARG  14          HH21      ARG  14   5.873   9.826   0.740
  127    H    GLY  15           H        GLY  15   4.020   2.373   0.388
  128    HA2  GLY  15           HA2      GLY  15   0.974   2.408   0.798
  129    HA3  GLY  15           HA3      GLY  15   1.762   2.825  -0.709
  130    H    TYR  16           H        TYR  16   3.132   0.004   0.357
  131    HA   TYR  16           HA       TYR  16   1.582  -1.555  -1.774
  132    HB2  TYR  16           HB2      TYR  16   4.148  -1.493  -1.652
  133    HB3  TYR  16           HB3      TYR  16   4.070  -2.527  -0.274
  134    HD1  TYR  16           HD2      TYR  16   2.450  -2.437  -3.745
  135    HD2  TYR  16           HD1      TYR  16   4.746  -4.721  -0.913
  136    HE1  TYR  16           HE2      TYR  16   2.714  -4.225  -5.397
  137    HE2  TYR  16           HE1      TYR  16   5.004  -6.505  -2.579
  138    HH   TYR  16           HH       TYR  16   3.491  -6.269  -5.793
  139    H    ALA  17           H        ALA  17   2.511  -2.109   1.563
  140    HA   ALA  17           HA       ALA  17   1.502  -4.768   1.510
  141    HB1  ALA  17           HB1      ALA  17   3.471  -4.038   2.934
  142    HB2  ALA  17           HB2      ALA  17   2.349  -3.228   4.056
  143    HB3  ALA  17           HB3      ALA  17   2.329  -4.998   3.888
  144    H    PHE  18           H        PHE  18  -0.498  -3.198   1.282
  145    HA   PHE  18           HA       PHE  18  -2.550  -4.770   1.765
  146    HB2  PHE  18           HB2      PHE  18  -2.267  -3.033   4.211
  147    HB3  PHE  18           HB3      PHE  18  -3.874  -2.977   3.668
  148    HD1  PHE  18           HD2      PHE  18  -5.110  -5.323   3.180
  149    HD2  PHE  18           HD1      PHE  18  -1.722  -4.839   5.786
  150    HE1  PHE  18           HE2      PHE  18  -5.720  -7.389   4.366
  151    HE2  PHE  18           HE1      PHE  18  -2.345  -6.910   6.963
  152    HZ   PHE  18           HZ       PHE  18  -4.339  -8.190   6.257
  153    H    ILE  19           H        ILE  19  -1.976  -2.483   0.735
  154    HA   ILE  19           HA       ILE  19  -4.667  -1.358  -0.367
  155    HB   ILE  19           HB       ILE  19  -2.018  -0.171  -1.353
  156   HG12  ILE  19          HG12      ILE  19  -3.864   0.929   0.828
  157   HG13  ILE  19          HG13      ILE  19  -2.211   0.357   1.021
  158   HG21  ILE  19          HG21      ILE  19  -4.945   0.728  -1.751
  159   HG22  ILE  19          HG22      ILE  19  -3.511   1.640  -2.290
  160   HG23  ILE  19          HG23      ILE  19  -3.854   0.059  -2.986
  161   HD11  ILE  19          HD11      ILE  19  -1.395   2.290  -0.457
  162   HD12  ILE  19          HD12      ILE  19  -3.058   2.930  -0.433
  163   HD13  ILE  19          HD13      ILE  19  -2.147   2.777   1.082
  164    H    GLU  20           H        GLU  20  -1.657  -2.494  -1.761
  165    HA   GLU  20           HA       GLU  20  -3.185  -3.806  -4.106
  166    HB2  GLU  20           HB2      GLU  20  -1.205  -2.211  -4.589
  167    HB3  GLU  20           HB3      GLU  20  -0.123  -3.409  -3.968
  168    HG2  GLU  20           HG2      GLU  20  -2.060  -3.805  -6.358
  169    HG3  GLU  20           HG3      GLU  20  -0.384  -3.325  -6.493
  170    HE2  GLU  20           HE2      GLU  20  -1.259  -7.115  -6.493
  171    H    TYR  21           H        TYR  21  -0.600  -4.363  -1.876
  172    HA   TYR  21           HA       TYR  21  -0.532  -7.302  -2.453
  173    HB2  TYR  21           HB2      TYR  21   1.479  -5.812  -2.303
  174    HB3  TYR  21           HB3      TYR  21   1.260  -5.654  -0.586
  175    HD1  TYR  21           HD1      TYR  21   1.899  -8.170  -3.320
  176    HD2  TYR  21           HD2      TYR  21   2.211  -7.336   0.891
  177    HE1  TYR  21           HE1      TYR  21   3.334 -10.147  -3.027
  178    HE2  TYR  21           HE2      TYR  21   3.643  -9.312   1.169
  179    HH   TYR  21           HH       TYR  21   4.636 -11.030   0.168
  180    HXT  TYR  21           HXT      TYR  21  -1.345  -7.023   1.513
  Start of MODEL    6
    1    H1   ARG   1           H1       ARG   1 -10.006  -4.119   0.238
    2    H2   ARG   1           H2       ARG   1  -9.119  -3.285  -0.852
    3    HA   ARG   1           HA       ARG   1  -8.654  -3.364   2.066
    4    HB2  ARG   1           HB2      ARG   1  -7.187  -4.725  -0.281
    5    HB3  ARG   1           HB3      ARG   1  -6.447  -4.528   1.286
    6    HG2  ARG   1           HG2      ARG   1  -9.032  -6.133   0.820
    7    HG3  ARG   1           HG3      ARG   1  -7.400  -6.785   0.908
    8    HD2  ARG   1           HD2      ARG   1  -7.201  -5.759   3.287
    9    HD3  ARG   1           HD3      ARG   1  -8.929  -5.390   3.204
   10   HH11  ARG   1          HH12      ARG   1  -7.792  -6.226   5.334
   11   HH12  ARG   1          HH11      ARG   1  -8.013  -7.675   6.440
   12   HH21  ARG   1          HH21      ARG   1  -8.992  -9.724   3.865
   13   HH22  ARG   1          HH22      ARG   1  -8.650  -9.533   5.660
   14    H    ILE   2           H        ILE   2  -7.623  -1.678   2.796
   15    HA   ILE   2           HA       ILE   2  -5.468  -0.327   1.169
   16    HB   ILE   2           HB       ILE   2  -6.031   1.966   1.913
   17   HG12  ILE   2          HG12      ILE   2  -8.551   2.489   2.350
   18   HG13  ILE   2          HG13      ILE   2  -8.724   0.832   2.885
   19   HG21  ILE   2          HG21      ILE   2  -7.629   2.457   0.142
   20   HG22  ILE   2          HG22      ILE   2  -6.556   1.152  -0.393
   21   HG23  ILE   2          HG23      ILE   2  -8.214   0.777   0.120
   22   HD11  ILE   2          HD11      ILE   2  -6.771   2.912   4.117
   23   HD12  ILE   2          HD12      ILE   2  -8.386   2.520   4.750
   24   HD13  ILE   2          HD13      ILE   2  -7.109   1.295   4.785
   25    H    HIS   3           H        HIS   3  -3.779   0.557   2.338
   26    HA   HIS   3           HA       HIS   3  -3.375  -0.496   5.131
   27    HB2  HIS   3           HB2      HIS   3  -1.609  -0.551   3.252
   28    HB3  HIS   3           HB3      HIS   3  -1.473   1.175   3.376
   29    HD2  HIS   3           HD2      HIS   3   1.144   0.203   3.701
   30    HE1  HIS   3           HE1      HIS   3   0.774  -0.212   7.825
   31    HE2  HIS   3           HE2      HIS   3   2.531  -0.031   5.953
   32    H    MET   4           H        MET   4  -3.054   2.626   3.571
   33    HA   MET   4           HA       MET   4  -4.821   4.027   5.464
   34    HB2  MET   4           HB2      MET   4  -1.915   4.985   5.701
   35    HB3  MET   4           HB3      MET   4  -3.319   5.840   6.291
   36    HG2  MET   4           HG2      MET   4  -2.348   3.125   7.359
   37    HG3  MET   4           HG3      MET   4  -2.140   4.701   8.131
   38    HE1  MET   4           HE1      MET   4  -3.625   1.964   9.325
   39    HE2  MET   4           HE2      MET   4  -3.255   3.425  10.296
   40    HE3  MET   4           HE3      MET   4  -4.915   2.757  10.278
   41    H    VAL   5           H        VAL   5  -2.203   5.403   3.557
   42    HA   VAL   5           HA       VAL   5  -3.082   5.822   1.243
   43    HB   VAL   5           HB       VAL   5  -3.551   8.170   0.853
   44   HG11  VAL   5          HG11      VAL   5  -5.133   6.342   0.192
   45   HG12  VAL   5          HG12      VAL   5  -6.081   6.633   1.673
   46   HG13  VAL   5          HG13      VAL   5  -5.931   7.904   0.449
   47   HG21  VAL   5          HG21      VAL   5  -5.052   8.175   3.579
   48   HG22  VAL   5          HG22      VAL   5  -3.640   9.180   3.186
   49   HG23  VAL   5          HG23      VAL   5  -5.175   9.455   2.346
   50    H    TYR   6           H        TYR   6  -1.173   5.575   1.233
   51    HA   TYR   6           HA       TYR   6   1.001   7.201   2.638
   52    HB2  TYR   6           HB2      TYR   6   0.799   4.363   1.434
   53    HB3  TYR   6           HB3      TYR   6   2.341   5.070   1.544
   54    HD1  TYR   6           HD2      TYR   6   3.307   5.641   3.887
   55    HD2  TYR   6           HD1      TYR   6  -0.468   3.623   3.442
   56    HE1  TYR   6           HE2      TYR   6   3.410   4.905   6.233
   57    HE2  TYR   6           HE1      TYR   6  -0.361   2.922   5.789
   58    HH   TYR   6           HH       TYR   6   0.803   2.945   7.667
   59    H    SER   7           H        SER   7   0.787   5.585  -0.383
   60    HA   SER   7           HA       SER   7   2.047   7.962  -1.914
   61    HB2  SER   7           HB2      SER   7   3.712   6.525  -3.004
   62    HB3  SER   7           HB3      SER   7   3.854   6.429  -1.252
   63    HG   SER   7           HG       SER   7   4.012   4.416  -2.254
   64    H    LYS   8           H        LYS   8   1.126   4.758  -2.731
   65    HA   LYS   8           HA       LYS   8  -1.026   5.636  -4.726
   66    HB2  LYS   8           HB2      LYS   8   1.167   5.939  -5.835
   67    HB3  LYS   8           HB3      LYS   8   1.606   4.252  -5.616
   68    HG2  LYS   8           HG2      LYS   8  -0.127   3.618  -7.317
   69    HG3  LYS   8           HG3      LYS   8  -0.774   5.258  -7.308
   70    HD2  LYS   8           HD2      LYS   8   0.504   5.033  -9.305
   71    HD3  LYS   8           HD3      LYS   8   1.420   6.110  -8.260
   72    HE2  LYS   8           HE2      LYS   8   2.953   4.168  -7.621
   73    HE3  LYS   8           HE3      LYS   8   2.004   3.085  -8.649
   74    HZ1  LYS   8           HZ1      LYS   8   3.930   3.890  -9.810
   75    HZ3  LYS   8           HZ3      LYS   8   2.590   4.459 -10.555
   76    H    ARG   9           H        ARG   9  -1.549   3.705  -6.065
   77    HA   ARG   9           HA       ARG   9  -2.754   1.502  -4.421
   78    HB2  ARG   9           HB2      ARG   9  -2.880   2.237  -7.357
   79    HB3  ARG   9           HB3      ARG   9  -3.066   0.553  -7.011
   80    HG2  ARG   9           HG2      ARG   9  -4.753   2.684  -5.559
   81    HG3  ARG   9           HG3      ARG   9  -5.244   1.973  -7.090
   82    HD2  ARG   9           HD2      ARG   9  -5.474  -0.264  -6.172
   83    HD3  ARG   9           HD3      ARG   9  -4.571   0.136  -4.717
   84   HH11  ARG   9          HH11      ARG   9  -5.710  -1.182  -3.624
   85   HH12  ARG   9          HH12      ARG   9  -7.096  -1.264  -2.426
   86   HH21  ARG   9          HH22      ARG   9  -8.606   1.550  -3.687
   87   HH22  ARG   9          HH21      ARG   9  -8.639   0.172  -2.471
   88    H    SER  10           H        SER  10  -0.634   1.138  -7.192
   89    HA   SER  10           HA       SER  10   0.915  -1.100  -5.899
   90    HB2  SER  10           HB2      SER  10   0.602  -1.051  -8.368
   91    HB3  SER  10           HB3      SER  10   1.545   0.440  -8.489
   92    HG   SER  10           HG       SER  10   3.308  -0.690  -7.589
   93    H    GLY  11           H        GLY  11   2.282  -0.652  -4.231
   94    HA2  GLY  11           HA2      GLY  11   4.025   1.881  -4.296
   95    HA3  GLY  11           HA3      GLY  11   3.036   1.578  -2.884
   96    H    LYS  12           H        LYS  12   4.731  -0.754  -4.804
   97    HA   LYS  12           HA       LYS  12   5.839  -2.602  -3.780
   98    HB2  LYS  12           HB2      LYS  12   6.857  -1.686  -5.778
   99    HB3  LYS  12           HB3      LYS  12   7.945  -0.679  -4.850
  100    HG2  LYS  12           HG2      LYS  12   9.027  -2.775  -3.889
  101    HG3  LYS  12           HG3      LYS  12   7.883  -3.772  -4.791
  102    HD2  LYS  12           HD2      LYS  12   8.771  -2.811  -6.966
  103    HD3  LYS  12           HD3      LYS  12   9.908  -1.808  -6.058
  104    HE2  LYS  12           HE2      LYS  12  10.996  -3.900  -5.102
  105    HE3  LYS  12           HE3      LYS  12   9.859  -4.907  -6.011
  106    HZ1  LYS  12           HZ1      LYS  12  10.725  -3.959  -8.061
  107    HZ3  LYS  12           HZ3      LYS  12  11.918  -4.670  -7.198
  108    HA   PRO  13           HA       PRO  13   8.292  -1.948   0.165
  109    HB2  PRO  13           HB3      PRO  13   9.548   0.342   0.961
  110    HB3  PRO  13           HB2      PRO  13  10.196  -0.731  -0.289
  111    HG2  PRO  13           HG2      PRO  13   8.644   1.878  -0.703
  112    HG3  PRO  13           HG3      PRO  13  10.151   1.364  -1.489
  113    HD2  PRO  13           HD2      PRO  13   7.619   1.039  -2.666
  114    HD3  PRO  13           HD3      PRO  13   9.009  -0.037  -3.008
  115    H    ARG  14           H        ARG  14   6.998   1.319   0.162
  116    HA   ARG  14           HA       ARG  14   5.990   0.968   2.946
  117    HB2  ARG  14           HB2      ARG  14   7.456   2.882   2.095
  118    HB3  ARG  14           HB3      ARG  14   6.207   3.394   1.029
  119    HG2  ARG  14           HG2      ARG  14   5.416   4.798   2.500
  120    HG3  ARG  14           HG3      ARG  14   4.870   3.499   3.518
  121    HD2  ARG  14           HD2      ARG  14   7.101   3.443   4.728
  122    HD3  ARG  14           HD3      ARG  14   7.681   4.782   3.716
  123   HH11  ARG  14          HH11      ARG  14   8.372   4.717   6.104
  124   HH12  ARG  14          HH12      ARG  14   8.163   5.809   7.566
  125   HH21  ARG  14          HH22      ARG  14   5.073   6.901   6.535
  126   HH22  ARG  14          HH21      ARG  14   6.409   6.969   7.795
  127    H    GLY  15           H        GLY  15   4.519   2.242   0.260
  128    HA2  GLY  15           HA2      GLY  15   1.618   2.182   1.190
  129    HA3  GLY  15           HA3      GLY  15   2.132   2.617  -0.431
  130    H    TYR  16           H        TYR  16   3.678  -0.143   0.516
  131    HA   TYR  16           HA       TYR  16   2.103  -1.918  -1.372
  132    HB2  TYR  16           HB2      TYR  16   4.508  -2.130  -1.302
  133    HB3  TYR  16           HB3      TYR  16   4.545  -2.522   0.396
  134    HD1  TYR  16           HD2      TYR  16   3.759  -3.812  -2.999
  135    HD2  TYR  16           HD1      TYR  16   3.960  -4.833   1.165
  136    HE1  TYR  16           HE2      TYR  16   3.500  -6.196  -3.567
  137    HE2  TYR  16           HE1      TYR  16   3.721  -7.209   0.594
  138    HH   TYR  16           HH       TYR  16   3.490  -8.701  -1.036
  139    H    ALA  17           H        ALA  17   2.663  -1.837   2.086
  140    HA   ALA  17           HA       ALA  17   1.543  -4.437   2.419
  141    HB1  ALA  17           HB1      ALA  17   3.363  -3.507   3.918
  142    HB2  ALA  17           HB2      ALA  17   2.143  -2.526   4.766
  143    HB3  ALA  17           HB3      ALA  17   2.088  -4.299   4.858
  144    H    PHE  18           H        PHE  18  -0.309  -2.830   1.714
  145    HA   PHE  18           HA       PHE  18  -2.300  -4.345   1.769
  146    HB2  PHE  18           HB2      PHE  18  -2.741  -2.752   4.282
  147    HB3  PHE  18           HB3      PHE  18  -4.185  -2.848   3.376
  148    HD1  PHE  18           HD2      PHE  18  -4.605  -5.488   2.353
  149    HD2  PHE  18           HD1      PHE  18  -2.672  -4.418   6.043
  150    HE1  PHE  18           HE2      PHE  18  -5.098  -7.716   3.264
  151    HE2  PHE  18           HE1      PHE  18  -3.179  -6.651   6.943
  152    HZ   PHE  18           HZ       PHE  18  -4.384  -8.307   5.556
  153    H    ILE  19           H        ILE  19  -1.726  -1.958   1.002
  154    HA   ILE  19           HA       ILE  19  -4.157  -0.950  -0.609
  155    HB   ILE  19           HB       ILE  19  -1.561   0.392  -1.417
  156   HG12  ILE  19          HG12      ILE  19  -3.163   1.362   1.005
  157   HG13  ILE  19          HG13      ILE  19  -1.541   0.675   1.050
  158   HG21  ILE  19          HG21      ILE  19  -3.079   2.168  -2.150
  159   HG22  ILE  19          HG22      ILE  19  -3.769   0.626  -2.681
  160   HG23  ILE  19          HG23      ILE  19  -4.456   1.445  -1.271
  161   HD11  ILE  19          HD11      ILE  19  -1.357   3.106   1.221
  162   HD12  ILE  19          HD12      ILE  19  -0.664   2.608  -0.341
  163   HD13  ILE  19          HD13      ILE  19  -2.279   3.357  -0.275
  164    H    GLU  20           H        GLU  20  -0.913  -2.025  -1.381
  165    HA   GLU  20           HA       GLU  20  -1.758  -3.104  -4.124
  166    HB2  GLU  20           HB2      GLU  20   0.614  -2.050  -3.629
  167    HB3  GLU  20           HB3      GLU  20   1.005  -3.532  -2.821
  168    HG2  GLU  20           HG2      GLU  20   0.420  -4.831  -4.966
  169    HG3  GLU  20           HG3      GLU  20   0.129  -3.305  -5.785
  170    HE2  GLU  20           HE2      GLU  20   3.583  -4.769  -6.175
  171    H    TYR  21           H        TYR  21  -0.591  -4.162  -1.089
  172    HA   TYR  21           HA       TYR  21  -0.742  -7.112  -1.538
  173    HB2  TYR  21           HB2      TYR  21   0.827  -6.091   0.077
  174    HB3  TYR  21           HB3      TYR  21  -0.472  -5.473   1.047
  175    HD1  TYR  21           HD2      TYR  21   1.205  -8.656  -0.034
  176    HD2  TYR  21           HD1      TYR  21  -1.498  -6.831   2.773
  177    HE1  TYR  21           HE2      TYR  21   1.279 -10.677   1.365
  178    HE2  TYR  21           HE1      TYR  21  -1.418  -8.854   4.160
  179    HH   TYR  21           HH       TYR  21   0.553 -11.669   3.217
  180    HXT  TYR  21           HXT      TYR  21  -3.854  -8.175  -0.701
  Start of MODEL    7
    1    H1   ARG   1           H1       ARG   1 -10.042  -2.541   0.123
    2    H2   ARG   1           H2       ARG   1 -10.863  -3.356   1.279
    3    HA   ARG   1           HA       ARG   1  -8.975  -3.357   2.759
    4    HB2  ARG   1           HB2      ARG   1  -9.467  -5.217   1.072
    5    HB3  ARG   1           HB3      ARG   1  -8.342  -4.462  -0.052
    6    HG2  ARG   1           HG2      ARG   1  -6.511  -4.734   1.757
    7    HG3  ARG   1           HG3      ARG   1  -7.678  -5.606   2.746
    8    HD2  ARG   1           HD2      ARG   1  -7.923  -7.346   0.902
    9    HD3  ARG   1           HD3      ARG   1  -6.763  -6.440  -0.094
   10   HH11  ARG   1          HH12      ARG   1  -6.417  -8.702  -0.451
   11   HH12  ARG   1          HH11      ARG   1  -5.110  -9.954  -0.138
   12   HH21  ARG   1          HH21      ARG   1  -4.110  -8.444   2.782
   13   HH22  ARG   1          HH22      ARG   1  -3.885  -9.816   1.582
   14    H    ILE   2           H        ILE   2  -7.833  -1.602   3.353
   15    HA   ILE   2           HA       ILE   2  -5.657  -0.560   1.522
   16    HB   ILE   2           HB       ILE   2  -6.001   1.818   2.218
   17   HG12  ILE   2          HG12      ILE   2  -8.417   2.560   2.715
   18   HG13  ILE   2          HG13      ILE   2  -8.766   0.929   3.247
   19   HG21  ILE   2          HG21      ILE   2  -8.283   0.688   0.514
   20   HG22  ILE   2          HG22      ILE   2  -7.621   2.340   0.473
   21   HG23  ILE   2          HG23      ILE   2  -6.617   0.973  -0.037
   22   HD11  ILE   2          HD11      ILE   2  -7.117   1.203   5.141
   23   HD12  ILE   2          HD12      ILE   2  -6.585   2.770   4.476
   24   HD13  ILE   2          HD13      ILE   2  -8.235   2.575   5.113
   25    H    HIS   3           H        HIS   3  -3.820   0.266   2.439
   26    HA   HIS   3           HA       HIS   3  -3.184  -0.619   5.225
   27    HB2  HIS   3           HB2      HIS   3  -1.618  -0.691   3.119
   28    HB3  HIS   3           HB3      HIS   3  -1.393   1.014   3.321
   29    HD2  HIS   3           HD2      HIS   3   1.172  -0.289   3.352
   30    HE1  HIS   3           HE1      HIS   3   1.152  -0.663   7.497
   31    HE2  HIS   3           HE2      HIS   3   2.733  -0.672   5.467
   32    H    MET   4           H        MET   4  -3.148   2.438   3.512
   33    HA   MET   4           HA       MET   4  -4.569   3.936   5.566
   34    HB2  MET   4           HB2      MET   4  -2.287   3.753   6.768
   35    HB3  MET   4           HB3      MET   4  -1.597   4.731   5.515
   36    HG2  MET   4           HG2      MET   4  -3.280   6.612   6.149
   37    HG3  MET   4           HG3      MET   4  -3.784   5.591   7.505
   38    HE1  MET   4           HE1      MET   4   0.321   7.749   7.007
   39    HE2  MET   4           HE2      MET   4  -0.126   6.507   5.806
   40    HE3  MET   4           HE3      MET   4  -1.129   7.979   5.987
   41    H    VAL   5           H        VAL   5  -2.004   5.404   3.681
   42    HA   VAL   5           HA       VAL   5  -2.861   5.870   1.335
   43    HB   VAL   5           HB       VAL   5  -3.385   8.219   1.048
   44   HG11  VAL   5          HG11      VAL   5  -5.882   6.577   1.756
   45   HG12  VAL   5          HG12      VAL   5  -5.757   7.912   0.600
   46   HG13  VAL   5          HG13      VAL   5  -4.910   6.390   0.276
   47   HG21  VAL   5          HG21      VAL   5  -4.927   8.060   3.748
   48   HG22  VAL   5          HG22      VAL   5  -3.536   9.116   3.426
   49   HG23  VAL   5          HG23      VAL   5  -5.063   9.394   2.575
   50    H    TYR   6           H        TYR   6  -0.956   5.663   1.371
   51    HA   TYR   6           HA       TYR   6   1.174   7.280   2.854
   52    HB2  TYR   6           HB2      TYR   6   1.087   4.533   1.435
   53    HB3  TYR   6           HB3      TYR   6   2.591   5.289   1.658
   54    HD1  TYR   6           HD2      TYR   6   3.458   5.700   4.079
   55    HD2  TYR   6           HD1      TYR   6  -0.160   3.504   3.296
   56    HE1  TYR   6           HE2      TYR   6   3.563   4.706   6.326
   57    HE2  TYR   6           HE1      TYR   6  -0.053   2.543   5.549
   58    HH   TYR   6           HH       TYR   6   1.066   2.420   7.449
   59    H    SER   7           H        SER   7   1.005   5.838  -0.232
   60    HA   SER   7           HA       SER   7   1.723   8.380  -1.757
   61    HB2  SER   7           HB2      SER   7   3.720   6.038  -1.794
   62    HB3  SER   7           HB3      SER   7   3.730   7.364  -2.961
   63    HG   SER   7           HG       SER   7   3.857   7.703  -0.146
   64    H    LYS   8           H        LYS   8   1.690   4.936  -2.462
   65    HA   LYS   8           HA       LYS   8  -0.167   5.456  -4.859
   66    HB2  LYS   8           HB2      LYS   8   2.189   5.577  -5.516
   67    HB3  LYS   8           HB3      LYS   8   2.544   3.958  -4.920
   68    HG2  LYS   8           HG2      LYS   8   1.149   3.014  -6.773
   69    HG3  LYS   8           HG3      LYS   8   0.613   4.634  -7.241
   70    HD2  LYS   8           HD2      LYS   8   2.995   5.246  -7.819
   71    HD3  LYS   8           HD3      LYS   8   3.540   3.648  -7.295
   72    HE2  LYS   8           HE2      LYS   8   2.089   2.564  -9.088
   73    HE3  LYS   8           HE3      LYS   8   1.552   4.166  -9.618
   74    HZ1  LYS   8           HZ1      LYS   8   3.885   4.712 -10.084
   75    HZ3  LYS   8           HZ3      LYS   8   4.373   3.229  -9.600
   76    H    ARG   9           H        ARG   9  -0.556   3.402  -5.927
   77    HA   ARG   9           HA       ARG   9  -2.044   1.472  -4.078
   78    HB2  ARG   9           HB2      ARG   9  -2.157   1.836  -7.122
   79    HB3  ARG   9           HB3      ARG   9  -2.821   0.425  -6.330
   80    HG2  ARG   9           HG2      ARG   9  -4.341   1.882  -4.929
   81    HG3  ARG   9           HG3      ARG   9  -3.666   3.325  -5.686
   82    HD2  ARG   9           HD2      ARG   9  -4.484   2.527  -7.952
   83    HD3  ARG   9           HD3      ARG   9  -5.171   1.078  -7.189
   84   HH11  ARG   9          HH11      ARG   9  -6.486   1.957  -9.003
   85   HH12  ARG   9          HH12      ARG   9  -8.164   2.671  -9.213
   86   HH21  ARG   9          HH22      ARG   9  -8.130   4.129  -6.103
   87   HH22  ARG   9          HH21      ARG   9  -9.039   3.826  -7.671
   88    H    SER  10           H        SER  10  -0.410   0.486  -7.023
   89    HA   SER  10           HA       SER  10   1.256  -1.576  -5.588
   90    HB2  SER  10           HB2      SER  10   0.422  -1.925  -7.956
   91    HB3  SER  10           HB3      SER  10   1.490  -0.637  -8.518
   92    HG   SER  10           HG       SER  10   2.187  -3.084  -7.250
   93    H    GLY  11           H        GLY  11   2.921  -0.847  -4.312
   94    HA2  GLY  11           HA2      GLY  11   4.747   1.406  -5.195
   95    HA3  GLY  11           HA3      GLY  11   3.680   1.826  -3.862
   96    H    LYS  12           H        LYS  12   5.403  -0.983  -4.750
   97    HA   LYS  12           HA       LYS  12   6.235  -2.575  -3.251
   98    HB2  LYS  12           HB2      LYS  12   8.646  -0.949  -4.132
   99    HB3  LYS  12           HB3      LYS  12   8.769  -2.544  -3.429
  100    HG2  LYS  12           HG2      LYS  12   7.385  -1.815  -6.069
  101    HG3  LYS  12           HG3      LYS  12   8.926  -2.616  -5.879
  102    HD2  LYS  12           HD2      LYS  12   6.169  -3.802  -5.168
  103    HD3  LYS  12           HD3      LYS  12   7.142  -4.172  -6.580
  104    HE2  LYS  12           HE2      LYS  12   8.970  -5.133  -5.070
  105    HE3  LYS  12           HE3      LYS  12   7.940  -4.824  -3.662
  106    HZ1  LYS  12           HZ1      LYS  12   6.261  -6.276  -4.624
  107    HZ3  LYS  12           HZ3      LYS  12   7.676  -7.070  -4.419
  108    HA   PRO  13           HA       PRO  13   7.970  -1.345   0.914
  109    HB2  PRO  13           HB3      PRO  13   8.926   1.126   1.620
  110    HB3  PRO  13           HB2      PRO  13   9.868  -0.066   0.713
  111    HG2  PRO  13           HG2      PRO  13   8.335   2.337  -0.414
  112    HG3  PRO  13           HG3      PRO  13  10.002   1.838  -0.772
  113    HD2  PRO  13           HD2      PRO  13   7.853   1.164  -2.419
  114    HD3  PRO  13           HD3      PRO  13   9.287   0.110  -2.238
  115    H    ARG  14           H        ARG  14   6.563   1.804   0.241
  116    HA   ARG  14           HA       ARG  14   5.026   1.615   2.772
  117    HB2  ARG  14           HB2      ARG  14   5.012   4.019   2.831
  118    HB3  ARG  14           HB3      ARG  14   6.548   3.461   2.197
  119    HG2  ARG  14           HG2      ARG  14   6.037   4.123  -0.086
  120    HG3  ARG  14           HG3      ARG  14   4.438   4.685   0.365
  121    HD2  ARG  14           HD2      ARG  14   7.032   5.864   1.546
  122    HD3  ARG  14           HD3      ARG  14   6.203   6.490   0.117
  123   HH11  ARG  14          HH11      ARG  14   6.992   8.303   1.247
  124   HH12  ARG  14          HH12      ARG  14   6.333   9.743   2.176
  125   HH21  ARG  14          HH22      ARG  14   3.620   7.986   3.337
  126   HH22  ARG  14          HH21      ARG  14   4.541   9.574   3.285
  127    H    GLY  15           H        GLY  15   4.096   2.485  -0.181
  128    HA2  GLY  15           HA2      GLY  15   1.055   2.527   0.314
  129    HA3  GLY  15           HA3      GLY  15   1.794   2.798  -1.252
  130    H    TYR  16           H        TYR  16   3.236   0.122   0.108
  131    HA   TYR  16           HA       TYR  16   1.770  -1.664  -1.900
  132    HB2  TYR  16           HB2      TYR  16   4.258  -1.599  -1.811
  133    HB3  TYR  16           HB3      TYR  16   4.257  -2.260  -0.212
  134    HD1  TYR  16           HD2      TYR  16   3.076  -3.014  -3.754
  135    HD2  TYR  16           HD1      TYR  16   4.535  -4.631  -0.041
  136    HE1  TYR  16           HE2      TYR  16   3.393  -5.210  -4.819
  137    HE2  TYR  16           HE1      TYR  16   4.843  -6.812  -1.119
  138    HH   TYR  16           HH       TYR  16   4.605  -8.002  -2.976
  139    H    ALA  17           H        ALA  17   2.628  -1.890   1.491
  140    HA   ALA  17           HA       ALA  17   1.576  -4.533   1.613
  141    HB1  ALA  17           HB1      ALA  17   3.594  -3.759   2.944
  142    HB2  ALA  17           HB2      ALA  17   2.507  -2.908   4.070
  143    HB3  ALA  17           HB3      ALA  17   2.471  -4.681   3.955
  144    H    PHE  18           H        PHE  18  -0.418  -2.962   1.343
  145    HA   PHE  18           HA       PHE  18  -2.425  -4.516   1.905
  146    HB2  PHE  18           HB2      PHE  18  -2.182  -2.707   4.310
  147    HB3  PHE  18           HB3      PHE  18  -3.798  -2.761   3.778
  148    HD1  PHE  18           HD2      PHE  18  -4.832  -5.248   3.348
  149    HD2  PHE  18           HD1      PHE  18  -1.570  -4.342   5.997
  150    HE1  PHE  18           HE2      PHE  18  -5.306  -7.291   4.640
  151    HE2  PHE  18           HE1      PHE  18  -2.050  -6.389   7.276
  152    HZ   PHE  18           HZ       PHE  18  -3.915  -7.868   6.601
  153    H    ILE  19           H        ILE  19  -1.938  -2.226   0.827
  154    HA   ILE  19           HA       ILE  19  -4.663  -1.198  -0.291
  155    HB   ILE  19           HB       ILE  19  -2.017  -0.007  -1.276
  156   HG12  ILE  19          HG12      ILE  19  -3.950   1.197   0.784
  157   HG13  ILE  19          HG13      ILE  19  -2.344   0.556   1.111
  158   HG21  ILE  19          HG21      ILE  19  -3.480   1.767  -2.308
  159   HG22  ILE  19          HG22      ILE  19  -3.836   0.169  -2.959
  160   HG23  ILE  19          HG23      ILE  19  -4.933   0.888  -1.759
  161   HD11  ILE  19          HD11      ILE  19  -2.156   2.969   1.084
  162   HD12  ILE  19          HD12      ILE  19  -1.301   2.350  -0.350
  163   HD13  ILE  19          HD13      ILE  19  -2.910   3.097  -0.518
  164    H    GLU  20           H        GLU  20  -1.651  -2.338  -1.671
  165    HA   GLU  20           HA       GLU  20  -3.158  -3.675  -4.012
  166    HB2  GLU  20           HB2      GLU  20  -1.236  -2.129  -4.526
  167    HB3  GLU  20           HB3      GLU  20  -0.116  -3.173  -3.747
  168    HG2  GLU  20           HG2      GLU  20  -1.835  -4.515  -5.898
  169    HG3  GLU  20           HG3      GLU  20  -0.845  -3.196  -6.469
  170    HE2  GLU  20           HE2      GLU  20  -0.786  -6.116  -4.728
  171    H    TYR  21           H        TYR  21  -0.629  -4.208  -1.745
  172    HA   TYR  21           HA       TYR  21  -0.897  -7.260  -1.905
  173    HB2  TYR  21           HB2      TYR  21   1.326  -6.057  -2.041
  174    HB3  TYR  21           HB3      TYR  21   1.165  -5.561  -0.383
  175    HD1  TYR  21           HD1      TYR  21   1.437  -8.579  -2.615
  176    HD2  TYR  21           HD2      TYR  21   1.875  -7.072   1.392
  177    HE1  TYR  21           HE1      TYR  21   2.607 -10.640  -1.960
  178    HE2  TYR  21           HE2      TYR  21   3.045  -9.136   2.033
  179    HH   TYR  21           HH       TYR  21   3.610 -11.752  -0.318
  180    HXT  TYR  21           HXT      TYR  21  -3.267  -7.112   0.645
  Start of MODEL    8
    1    H1   ARG   1           H1       ARG   1 -10.386  -1.129   0.543
    2    H2   ARG   1           H2       ARG   1 -11.271  -1.828   1.725
    3    HA   ARG   1           HA       ARG   1  -9.316  -2.565   2.897
    4    HB2  ARG   1           HB2      ARG   1 -10.535  -3.952   1.217
    5    HB3  ARG   1           HB3      ARG   1  -9.474  -3.422  -0.068
    6    HG2  ARG   1           HG2      ARG   1  -8.320  -4.780   2.456
    7    HG3  ARG   1           HG3      ARG   1  -9.158  -5.747   1.254
    8    HD2  ARG   1           HD2      ARG   1  -7.582  -5.078  -0.544
    9    HD3  ARG   1           HD3      ARG   1  -6.746  -3.966   0.547
   10   HH11  ARG   1          HH12      ARG   1  -5.212  -4.921  -0.922
   11   HH12  ARG   1          HH11      ARG   1  -3.760  -6.041  -0.823
   12   HH21  ARG   1          HH21      ARG   1  -5.072  -7.801   1.821
   13   HH22  ARG   1          HH22      ARG   1  -3.681  -7.567   0.643
   14    H    ILE   2           H        ILE   2  -7.797  -1.145   3.497
   15    HA   ILE   2           HA       ILE   2  -5.563  -0.398   1.592
   16    HB   ILE   2           HB       ILE   2  -5.571   2.010   2.501
   17   HG12  ILE   2          HG12      ILE   2  -7.742   3.090   3.027
   18   HG13  ILE   2          HG13      ILE   2  -8.539   1.533   3.163
   19   HG21  ILE   2          HG21      ILE   2  -7.877   1.294   0.613
   20   HG22  ILE   2          HG22      ILE   2  -7.016   2.848   0.728
   21   HG23  ILE   2          HG23      ILE   2  -6.162   1.405   0.155
   22   HD11  ILE   2          HD11      ILE   2  -7.946   2.625   5.383
   23   HD12  ILE   2          HD12      ILE   2  -7.237   1.008   5.227
   24   HD13  ILE   2          HD13      ILE   2  -6.216   2.454   4.999
   25    H    HIS   3           H        HIS   3  -3.612   0.304   2.503
   26    HA   HIS   3           HA       HIS   3  -2.911  -0.817   5.176
   27    HB2  HIS   3           HB2      HIS   3  -1.426  -0.699   3.030
   28    HB3  HIS   3           HB3      HIS   3  -1.209   0.987   3.338
   29    HD2  HIS   3           HD2      HIS   3  -0.954  -0.501   6.783
   30    HE1  HIS   3           HE1      HIS   3   2.900  -0.674   5.224
   31    HE2  HIS   3           HE2      HIS   3   1.592  -0.873   7.432
   32    H    MET   4           H        MET   4  -2.945   2.382   3.755
   33    HA   MET   4           HA       MET   4  -4.235   3.623   6.085
   34    HB2  MET   4           HB2      MET   4  -1.733   3.445   6.866
   35    HB3  MET   4           HB3      MET   4  -1.392   4.763   5.795
   36    HG2  MET   4           HG2      MET   4  -3.468   4.834   8.091
   37    HG3  MET   4           HG3      MET   4  -1.813   5.429   8.212
   38    HE1  MET   4           HE1      MET   4  -1.764   8.732   6.203
   39    HE2  MET   4           HE2      MET   4  -1.044   7.808   7.555
   40    HE3  MET   4           HE3      MET   4  -0.969   7.165   5.885
   41    H    VAL   5           H        VAL   5  -2.059   5.342   3.932
   42    HA   VAL   5           HA       VAL   5  -3.324   5.901   1.822
   43    HB   VAL   5           HB       VAL   5  -3.993   8.230   1.758
   44   HG11  VAL   5          HG11      VAL   5  -5.539   6.356   1.148
   45   HG12  VAL   5          HG12      VAL   5  -6.266   6.434   2.773
   46   HG13  VAL   5          HG13      VAL   5  -6.382   7.822   1.680
   47   HG21  VAL   5          HG21      VAL   5  -5.433   9.243   3.601
   48   HG22  VAL   5          HG22      VAL   5  -5.059   7.859   4.658
   49   HG23  VAL   5          HG23      VAL   5  -3.778   8.993   4.180
   50    H    TYR   6           H        TYR   6  -1.431   5.797   1.503
   51    HA   TYR   6           HA       TYR   6   0.856   7.447   2.685
   52    HB2  TYR   6           HB2      TYR   6   0.676   4.836   1.025
   53    HB3  TYR   6           HB3      TYR   6   2.153   5.675   1.128
   54    HD1  TYR   6           HD1      TYR   6   3.416   5.715   3.361
   55    HD2  TYR   6           HD2      TYR   6  -0.369   3.700   3.004
   56    HE1  TYR   6           HE1      TYR   6   3.861   4.489   5.444
   57    HE2  TYR   6           HE2      TYR   6   0.079   2.510   5.101
   58    HH   TYR   6           HH       TYR   6   1.530   2.115   6.722
   59    H    SER   7           H        SER   7   0.206   6.211  -0.394
   60    HA   SER   7           HA       SER   7  -0.233   8.679  -1.896
   61    HB2  SER   7           HB2      SER   7   2.657   7.682  -2.299
   62    HB3  SER   7           HB3      SER   7   1.832   8.724  -3.458
   63    HG   SER   7           HG       SER   7   1.829   9.455  -0.752
   64    H    LYS   8           H        LYS   8   1.335   5.604  -2.545
   65    HA   LYS   8           HA       LYS   8  -0.309   5.321  -5.117
   66    HB2  LYS   8           HB2      LYS   8   1.545   4.307  -6.164
   67    HB3  LYS   8           HB3      LYS   8   2.096   5.784  -5.450
   68    HG2  LYS   8           HG2      LYS   8   2.532   3.076  -4.008
   69    HG3  LYS   8           HG3      LYS   8   3.509   3.546  -5.375
   70    HD2  LYS   8           HD2      LYS   8   4.159   5.718  -4.120
   71    HD3  LYS   8           HD3      LYS   8   3.224   5.152  -2.750
   72    HE2  LYS   8           HE2      LYS   8   5.487   4.664  -2.224
   73    HE3  LYS   8           HE3      LYS   8   4.736   3.104  -2.556
   74    HZ1  LYS   8           HZ1      LYS   8   6.422   4.674  -4.448
   75    HZ3  LYS   8           HZ3      LYS   8   6.915   3.364  -3.602
   76    H    ARG   9           H        ARG   9   0.088   2.991  -5.946
   77    HA   ARG   9           HA       ARG   9  -1.519   1.141  -4.073
   78    HB2  ARG   9           HB2      ARG   9  -1.881   1.635  -7.079
   79    HB3  ARG   9           HB3      ARG   9  -2.338   0.118  -6.353
   80    HG2  ARG   9           HG2      ARG   9  -4.277   1.550  -6.602
   81    HG3  ARG   9           HG3      ARG   9  -4.021   1.107  -4.930
   82    HD2  ARG   9           HD2      ARG   9  -3.055   3.386  -4.449
   83    HD3  ARG   9           HD3      ARG   9  -3.267   3.851  -6.149
   84   HH11  ARG   9          HH11      ARG   9  -3.577   5.511  -4.264
   85   HH12  ARG   9          HH12      ARG   9  -4.961   6.553  -3.655
   86   HH21  ARG   9          HH22      ARG   9  -7.341   4.248  -4.564
   87   HH22  ARG   9          HH21      ARG   9  -6.960   5.883  -3.813
   88    H    SER  10           H        SER  10   0.026   0.369  -7.129
   89    HA   SER  10           HA       SER  10   1.683  -1.794  -5.881
   90    HB2  SER  10           HB2      SER  10   2.572  -2.232  -8.129
   91    HB3  SER  10           HB3      SER  10   0.813  -2.171  -8.134
   92    HG   SER  10           HG       SER  10   2.490   0.023  -8.811
   93    H    GLY  11           H        GLY  11   3.395  -1.204  -4.613
   94    HA2  GLY  11           HA2      GLY  11   5.508   0.697  -5.552
   95    HA3  GLY  11           HA3      GLY  11   4.419   1.468  -4.406
   96    H    LYS  12           H        LYS  12   5.889  -1.580  -4.725
   97    HA   LYS  12           HA       LYS  12   6.389  -3.061  -3.003
   98    HB2  LYS  12           HB2      LYS  12   8.985  -1.679  -3.760
   99    HB3  LYS  12           HB3      LYS  12   8.960  -3.122  -2.760
  100    HG2  LYS  12           HG2      LYS  12   7.687  -4.374  -4.545
  101    HG3  LYS  12           HG3      LYS  12   7.755  -2.954  -5.587
  102    HD2  LYS  12           HD2      LYS  12  10.276  -3.017  -5.529
  103    HD3  LYS  12           HD3      LYS  12  10.245  -4.434  -4.494
  104    HE2  LYS  12           HE2      LYS  12   9.046  -4.326  -7.355
  105    HE3  LYS  12           HE3      LYS  12  10.670  -4.891  -6.974
  106    HZ1  LYS  12           HZ1      LYS  12   8.182  -6.116  -5.915
  107    HZ3  LYS  12           HZ3      LYS  12   9.697  -6.625  -5.577
  108    HA   PRO  13           HA       PRO  13   7.780  -1.663   1.218
  109    HB2  PRO  13           HB3      PRO  13   8.864   0.766   1.896
  110    HB3  PRO  13           HB2      PRO  13   9.777  -0.546   1.135
  111    HG2  PRO  13           HG2      PRO  13   8.537   1.896  -0.244
  112    HG3  PRO  13           HG3      PRO  13  10.189   1.263  -0.420
  113    HD2  PRO  13           HD2      PRO  13   8.173   0.647  -2.233
  114    HD3  PRO  13           HD3      PRO  13   9.474  -0.514  -1.837
  115    H    ARG  14           H        ARG  14   6.672   1.556   0.348
  116    HA   ARG  14           HA       ARG  14   5.011   1.562   2.798
  117    HB2  ARG  14           HB2      ARG  14   5.210   3.955   2.810
  118    HB3  ARG  14           HB3      ARG  14   6.710   3.259   2.229
  119    HG2  ARG  14           HG2      ARG  14   6.270   3.888  -0.089
  120    HG3  ARG  14           HG3      ARG  14   4.737   4.628   0.351
  121    HD2  ARG  14           HD2      ARG  14   7.427   5.550   1.535
  122    HD3  ARG  14           HD3      ARG  14   6.768   6.206   0.056
  123   HH11  ARG  14          HH11      ARG  14   4.983   7.059  -0.589
  124   HH12  ARG  14          HH12      ARG  14   3.772   8.385  -0.208
  125   HH21  ARG  14          HH22      ARG  14   4.385   8.226   3.167
  126   HH22  ARG  14          HH21      ARG  14   3.446   8.997   1.789
  127    H    GLY  15           H        GLY  15   4.254   2.441  -0.200
  128    HA2  GLY  15           HA2      GLY  15   1.214   2.715   0.197
  129    HA3  GLY  15           HA3      GLY  15   2.010   2.911  -1.352
  130    H    TYR  16           H        TYR  16   3.219   0.150   0.089
  131    HA   TYR  16           HA       TYR  16   1.600  -1.505  -1.925
  132    HB2  TYR  16           HB2      TYR  16   4.173  -1.504  -1.861
  133    HB3  TYR  16           HB3      TYR  16   4.083  -2.456  -0.423
  134    HD1  TYR  16           HD2      TYR  16   2.323  -2.550  -3.825
  135    HD2  TYR  16           HD1      TYR  16   4.750  -4.678  -0.982
  136    HE1  TYR  16           HE2      TYR  16   2.517  -4.428  -5.390
  137    HE2  TYR  16           HE1      TYR  16   4.960  -6.538  -2.566
  138    HH   TYR  16           HH       TYR  16   3.381  -6.447  -5.756
  139    H    ALA  17           H        ALA  17   2.621  -1.905   1.408
  140    HA   ALA  17           HA       ALA  17   1.592  -4.548   1.441
  141    HB1  ALA  17           HB1      ALA  17   2.537  -4.801   3.744
  142    HB2  ALA  17           HB2      ALA  17   3.622  -3.794   2.770
  143    HB3  ALA  17           HB3      ALA  17   2.535  -3.036   3.960
  144    H    PHE  18           H        PHE  18  -0.411  -2.972   1.301
  145    HA   PHE  18           HA       PHE  18  -2.450  -4.544   1.843
  146    HB2  PHE  18           HB2      PHE  18  -2.023  -2.905   4.304
  147    HB3  PHE  18           HB3      PHE  18  -3.644  -2.736   3.840
  148    HD1  PHE  18           HD1      PHE  18  -5.100  -4.910   3.392
  149    HD2  PHE  18           HD2      PHE  18  -1.480  -4.876   5.717
  150    HE1  PHE  18           HE1      PHE  18  -5.785  -6.994   4.504
  151    HE2  PHE  18           HE2      PHE  18  -2.181  -6.960   6.821
  152    HZ   PHE  18           HZ       PHE  18  -4.329  -8.026   6.218
  153    H    ILE  19           H        ILE  19  -1.879  -2.255   0.828
  154    HA   ILE  19           HA       ILE  19  -4.585  -1.131  -0.273
  155    HB   ILE  19           HB       ILE  19  -1.854  -0.055  -1.182
  156   HG12  ILE  19          HG12      ILE  19  -3.817   1.186   0.817
  157   HG13  ILE  19          HG13      ILE  19  -2.216   0.543   1.155
  158   HG21  ILE  19          HG21      ILE  19  -4.676   1.018  -1.817
  159   HG22  ILE  19          HG22      ILE  19  -3.127   1.755  -2.327
  160   HG23  ILE  19          HG23      ILE  19  -3.589   0.175  -2.943
  161   HD11  ILE  19          HD11      ILE  19  -2.058   2.966   1.161
  162   HD12  ILE  19          HD12      ILE  19  -1.155   2.364  -0.249
  163   HD13  ILE  19          HD13      ILE  19  -2.764   3.096  -0.464
  164    H    GLU  20           H        GLU  20  -1.609  -2.341  -1.678
  165    HA   GLU  20           HA       GLU  20  -3.173  -3.606  -4.025
  166    HB2  GLU  20           HB2      GLU  20  -1.280  -1.971  -4.586
  167    HB3  GLU  20           HB3      GLU  20  -0.138  -3.097  -3.930
  168    HG2  GLU  20           HG2      GLU  20  -0.071  -3.441  -6.285
  169    HG3  GLU  20           HG3      GLU  20  -0.931  -4.836  -5.676
  170    HE2  GLU  20           HE2      GLU  20  -2.685  -2.134  -8.094
  171    H    TYR  21           H        TYR  21  -0.449  -4.179  -1.976
  172    HA   TYR  21           HA       TYR  21  -0.479  -7.141  -2.388
  173    HB2  TYR  21           HB2      TYR  21   1.577  -5.799  -2.178
  174    HB3  TYR  21           HB3      TYR  21   1.246  -5.439  -0.513
  175    HD1  TYR  21           HD1      TYR  21   2.046  -8.235  -2.898
  176    HD2  TYR  21           HD2      TYR  21   1.902  -7.023   1.230
  177    HE1  TYR  21           HE1      TYR  21   3.336 -10.229  -2.258
  178    HE2  TYR  21           HE2      TYR  21   3.195  -9.016   1.853
  179    HH   TYR  21           HH       TYR  21   4.211 -10.857   1.136
  180    HXT  TYR  21           HXT      TYR  21  -2.066  -8.090  -1.680