!Lue1
assign(resid 1 and name HD#)(resid 1 and name HA)3.0 1.2 3.0 
assign(resid 1 and name HA)(resid 2 and name HN)4.0 2.2 1.0
assign(resid 1 and name HD#)(resid 2 and name HN)4.0 2.2 5.4
assign(resid 1 and name HD#)(resid 4 and name HB#)4.0 2.2 6.4 
assign(resid 1 and name HD#)(resid 4 and name HZ3)4.0 2.2 4.4 
assign(resid 1 and name HD#)(resid 4 and name HE3)4.0 2.2 4.4 
!Gly2
assign(resid 2 and name HA1)(resid 2 and name HN)4.0 2.2 1.0
assign(resid 2 and name HA2)(resid 2 and name HN)4.0 2.2 1.0
assign(resid 2 and name HA#)(resid 3 and name HA)4.0 2.2 2.0
assign(resid 2 and name HA1)(resid 3 and name HN)3.0 1.2 0.7 
assign(resid 2 and name HA2)(resid 3 and name HN)3.0 1.2 0.5 
assign(resid 2 and name HN)(resid 3 and name HN)4.0 2.2 3.0 
!Ala3
assign(resid 3 and name HB#)(resid 2 and name HN)4.0 2.2 3.0 
assign(resid 3 and name HB#)(resid 3 and name HA)2.5 0.7 1.7 
assign(resid 3 and name HA)(resid 3 and name HN)3.0 1.2 0.5 
assign(resid 3 and name HB#)(resid 3 and name HN)2.5 0.7 1.7 
assign(resid 3 and name HA)(resid 4 and name HN)4.0 2.2 1.0 
assign(resid 3 and name HB#)(resid 4 and name HD1)4.0 2.2 2.5 
assign(resid 3 and name HB#)(resid 4 and name HB#)3.0 1.2 3.0 
assign(resid 3 and name HB#)(resid 4 and name HN)3.0 1.2 2.0 
assign(resid 3 and name HA)(resid 6 and name HN)4.0 2.2 1.0  
!Trp4
assign(resid 4 and name HD1)(resid 4 and name HE1)3.0 1.2 0.3 
assign(resid 4 and name HD1)(resid 4 and name HN)4.0 2.2 1.0
assign(resid 4 and name HD1)(resid 3 and name HN)4.0 2.2 3.0
assign(resid 4 and name HZ2)(resid 4 and name HE1)3.0 1.2 0.3 
assign(resid 4 and name HZ3)(resid 4 and name HH2)2.5 0.7 0.2
assign(resid 4 and name HH2)(resid 4 and name HZ2)2.5 0.7 0.2 
assign(resid 4 and name HE3)(resid 4 and name HN)4.0 2.2 1.0 
assign(resid 4 and name HA)(resid 4 and name HD1)4.0 2.2 1.0
assign(resid 4 and name HA)(resid 4 and name HB#)3.0 1.2 1.5
assign(resid 4 and name HA)(resid 4 and name HD1)4.0 2.2 3.0 
assign(resid 4 and name HA)(resid 4 and name HN)4.0 2.2 1.0
assign(resid 4 and name HA)(resid 4 and name HE1)4.0 2.2 1.3  
assign(resid 4 and name HA)(resid 4 and name HE3)4.0 2.2 3.0 
assign(resid 4 and name HA)(resid 6 and name HB#)4.0 2.2 3.0 
assign(resid 4 and name HA)(resid 3 and name HB#)4.0 2.2 2.5 
assign(resid 4 and name HA)(resid 7 and name HN)4.0 2.2 3.0
assign(resid 4 and name HA)(resid 5 and name HN)4.0 2.2 1.0 
assign(resid 4 and name HB#)(resid 4 and name HE1)4.0 2.2 2.0
assign(resid 4 and name HB#)(resid 4 and name HD1)3.0 1.5 1.5 
assign(resid 4 and name HB#)(resid 4 and name HN)3.0 1.5 1.5 
assign(resid 4 and name HB#)(resid 4 and name HE3)3.0 1.2 1.3  
assign(resid 4 and name HB#)(resid 3 and name HN)4.0 2.2 2.0 
assign(resid 4 and name HB#)(resid 5 and name HN)3.0 1.2 1.7 
assign(resid 4 and name HB#)(resid 4 and name HZ3)4.0 2.2 2.5   
assign(resid 4 and name HN)(resid 3 and name HN)3.0 1.2 0.8  
assign(resid 4 and name HN)(resid 6 and name HN)4.0 2.2 1.0  
assign(resid 4 and name HN)(resid 4 and name HE1)5.0 3.2 2.0  
!Leu5
assign(resid 5 and name HA)(resid 4 and name HZ3)4.0 2.2 1.0 
assign(resid 5 and name HA)(resid 4 and name HE3)4.0 2.2 1.0  
assign(resid 5 and name HA)(resid 8 and name HA)5.0 2.2 2.0  
assign(resid 5 and name HA)(resid 5 and name HN)3.0 1.2 0.5 
assign(resid 5 and name HA)(resid 8 and name HN)4.0 2.2 1.0 
assign(resid 5 and name HA)(resid 6 and name HN)4.0 2.2 1.0 
assign(resid 5 and name HB#)(resid 5 and name HN)4.0 2.2 2.0 
assign(resid 5 and name HB#)(resid 5 and name HD1#)3.0 1.2 2.8 
assign(resid 5 and name HB#)(resid 5 and name HD2#)3.0 1.2 2.8 
assign(resid 5 and name HB#)(resid 5 and name HA)3.0 1.2 1.5
assign(resid 5 and name HB#)(resid 6 and name HN)3.0 1.2 1.5
assign(resid 5 and name HD1#)(resid 4 and name HE3)4.0 2.2 2.5
assign(resid 5 and name HD1#)(resid 5 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD1#)(resid 8 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD1#)(resid 5 and name HA)3.0 1.2 1.8 
assign(resid 5 and name HD1#)(resid 4 and name HZ3)4.0 2.2 2.5  
assign(resid 5 and name HD1#)(resid 4 and name HH2)4.0 2.2 2.5 
assign(resid 5 and name HD1#)(resid 6 and name HN)4.0 2.2 2.5  
assign(resid 5 and name HD1#)(resid 8 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD1#)(resid 9 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD1#)(resid 4 and name HN)4.0 2.2 3.5
assign(resid 5 and name HD2#)(resid 4 and name HE3)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 5 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 8 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 4 and name HZ3)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 4 and name HH2)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 4 and name HN)4.0 2.2 3.5 
assign(resid 5 and name HD2#)(resid 5 and name HA)3.0 1.2 1.8 
assign(resid 5 and name HD2#)(resid 6 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 9 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 8 and name HN)4.0 2.2 2.5 
assign(resid 5 and name HD2#)(resid 9 and name HG1#)4.0 2.2 4.0
assign(resid 5 and name HN)(resid 3 and name HN)4.0 2.2 3.0 
assign(resid 5 and name HN)(resid 6 and name HN)3.0 1.2 0.5 
assign(resid 5 and name HN)(resid 4 and name HN)3.0 1.2 0.5
!Ala6
assign(resid 6 and name HA)(resid 9 and name HN)4.0 2.2 1.0 
assign(resid 6 and name HA)(resid 7 and name HN)4.0 2.2 1.0 
assign(resid 6 and name HA)(resid 9 and name HB)4.0 2.2 1.0 
assign(resid 6 and name HB#)(resid 9 and name HN)4.0 2.2 2.5 
assign(resid 6 and name HB#)(resid 9 and name HB)4.0 2.2 2.5 
assign(resid 6 and name HB#)(resid 7 and name HA#)4.0 2.2 3.5 
assign(resid 6 and name HB#)(resid 5 and name HA)4.0 2.2 2.5 
assign(resid 6 and name HB#)(resid 3 and name HA)3.0 1.2 2.0 !! 
assign(resid 6 and name HB#)(resid 4 and name HN)4.0 2.2 2.5 
assign(resid 6 and name HB#)(resid 10 and name HN)4.0 2.2 2.5
assign(resid 6 and name HB#)(resid 8 and name HN)4.0 2.2 2.5 
assign(resid 6 and name HB#)(resid 3 and name HN)4.0 2.2 2.5 
assign(resid 6 and name HB#)(resid 6 and name HN)3.0 1.2 1.8 
assign(resid 6 and name HN)(resid 3 and name HN)4.0 2.2 3.0 
!Gly7
assign(resid 7 and name HA#)(resid 9 and name HN)4.0 2.2 2.0 
assign(resid 7 and name HA#)(resid 10 and name HB#)3.0 1.2 3.0 
assign(resid 7 and name HA#)(resid 8 and name HN)4.0 2.2 2.0 
assign(resid 7 and name HN)(resid 11 and name HN)4.0 2.2 3.0  
!Lys8
assign(resid 8 and name HA)(resid 8 and name HN)3.0 1.2 0.8 
assign(resid 8 and name HA)(resid 9 and name HN)4.0 2.2 1.0
assign(resid 8 and name HA)(resid 7 and name HN)4.0 2.2 2.0 
assign(resid 8 and name HA)(resid 11 and name HN)4.0 2.2 2.0 
assign(resid 8 and name HA)(resid 10 and name HN)4.0 2.2 3.0
assign(resid 8 and name HB2)(resid 5 and name HA)4.0 2.2 1.0 
assign(resid 8 and name HB2)(resid 8 and name HA)3.0 1.2 0.5 
assign(resid 8 and name HB2)(resid 8 and name HN)3.0 1.2 0.3 
assign(resid 8 and name HB2)(resid 9 and name HN)4.0 2.2 1.0 
assign(resid 8 and name HB1)(resid 5 and name HA)4.0 2.2 1.0 
assign(resid 8 and name HB1)(resid 8 and name HA)3.0 1.2 0.5
assign(resid 8 and name HB1)(resid 8 and name HN)3.0 1.2 0.3 
assign(resid 8 and name HB1)(resid 9 and name HN)4.0 2.2 1.0 
assign(resid 8 and name HG1)(resid 8 and name HE1)3.0 1.2 0.8 
assign(resid 8 and name HD#)(resid 8 and name HA)3.0 1.2 1.3 
assign(resid 8 and name HD#)(resid 8 and name HE2)3.0 1.2 1.3 
assign(resid 8 and name HD#)(resid 8 and name HE1)3.0 1.2 1.3 
assign(resid 8 and name HD#)(resid 4 and name HE1)4.0 2.2 2.0 
assign(resid 8 and name HE1)(resid 4 and name HZ2)4.0 2.2 1.0 
assign(resid 8 and name HE1)(resid 4 and name HE1)4.0 2.2 1.0 
assign(resid 8 and name HE2)(resid 4 and name HZ2)4.0 2.2 1.0 
assign(resid 8 and name HE2)(resid 4 and name HE1)4.0 2.2 1.0 
assign(resid 8 and name HN)(resid 7 and name HN)3.0 1.2 1.0 
assign(resid 8 and name HN)(resid 9 and name HN)3.0 1.2 0.5
assign(resid 8 and name HN)(resid 10 and name HN)4.0 2.2 1.5 
!Val9
assign(resid 9 and name HA)(resid 12 and name HA)5.0 2.2 2.0
assign(resid 9 and name HA)(resid 11 and name HN)4.0 2.2 1.0 
assign(resid 9 and name HA)(resid 10 and name HN)4.0 2.2 1.0 
assign(resid 9 and name HA)(resid 13 and name HN)4.0 2.2 2.0
assign(resid 9 and name HB)(resid 8 and name HN)4.0 2.2 1.0
assign(resid 9 and name HB)(resid 9 and name HA)3.0 1.0 0.3 
assign(resid 9 and name HB)(resid 9 and name HN)3.0 1.2 0.5
assign(resid 9 and name HB)(resid 10 and name HN)3.0 1.2 0.5
assign(resid 9 and name HG1#)(resid 8 and name HN)4.0 2.2 2.5 
assign(resid 9 and name HG1#)(resid 9 and name HN)3.0 1.2 1.8 
assign(resid 9 and name HG1#)(resid 9 and name HA)3.0 1.2 1.8 
assign(resid 9 and name HG1#)(resid 10 and name HN)3.0 1.2 2.0 
assign(resid 9 and name HG1#)(resid 9 and name HB)2.5 0.7 1.7
assign(resid 9 and name HG1#)(resid 13 and name HN)4.0 2.2 2.5 
assign(resid 9 and name HG1#)(resid 10 and name HB#)4.0 2.2 4.0
assign(resid 9 and name HG1#)(resid 6 and name HB#)4.0 2.2 4.0
assign(resid 9 and name HG2#)(resid 13 and name HN)4.0 2.2 2.5 
assign(resid 9 and name HG2#)(resid 6 and name HB#)4.0 2.2 4.0 
assign(resid 9 and name HG2#)(resid 10 and name HB#)4.0 2.2 4.0
assign(resid 9 and name HG2#)(resid 8 and name HN)4.0 2.2 2.5 
assign(resid 9 and name HG2#)(resid 9 and name HB)2.5 0.7 1.7 
assign(resid 9 and name HG2#)(resid 9 and name HN)3.0 1.2 1.8 
assign(resid 9 and name HG2#)(resid 10 and name HN)3.0 1.2 2.0 
assign(resid 9 and name HG2#)(resid 12 and name HN)4.0 2.2 2.5 
assign(resid 9 and name HG2#)(resid 14 and name HN)4.0 2.2 2.5 
assign(resid 9 and name HG2#)(resid 11 and name HN)4.0 2.2 2.5 
assign(resid 9 and name HG2#)(resid 13 and name HA)4.0 2.2 2.5 
assign(resid 9 and name HN)(resid 7 and name HN)3.0 1.2 0.7 
assign(resid 9 and name HN)(resid 10 and name HN)3.0 1.2 0.5
assign(resid 9 and name HN)(resid 11 and name HN)4.0 2.2 1.0  
assign(resid 9 and name HN)(resid 13 and name HN)4.0 2.2 2.0
!Ala10
assign(resid 10 and name HA)(resid 13 and name HB)4.0 2.2 1.0 
assign(resid 10 and name HA)(resid 14 and name HN)4.0 2.2 1.0  
assign(resid 10 and name HA)(resid 13 and name HN)4.0 2.2 1.0 
assign(resid 10 and name HA)(resid 11 and name HN)4.0 2.2 1.0 
assign(resid 10 and name HA)(resid 10 and name HN)3.0 1.2 0.5
assign(resid 10 and name HA)(resid 13 and name HG1#)4.0 2.2 2.5 
assign(resid 10 and name HA)(resid 13 and name HG2#)4.0 2.2 2.5 
assign(resid 10 and name HB#)(resid 11 and name HN)3.0 1.2 2.0 
assign(resid 10 and name HB#)(resid 10 and name HA)3.0 1.2 1.8 
assign(resid 10 and name HB#)(resid 10 and name HN)3.0 1.2 2.0 
assign(resid 10 and name HB#)(resid 13 and name HB)4.0 2.2 2.5 
assign(resid 10 and name HB#)(resid 9 and name HB)3.0 1.2 2.3 
assign(resid 10 and name HB#)(resid 14 and name HN)4.0 2.2 2.5
assign(resid 10 and name HN)(resid 7 and name HN)4.0 2.2 1.0 
assign(resid 10 and name HN)(resid 11 and name HN)4.0 2.2 1.0 
!Gly11
assign(resid 11 and name HA#)(resid 14 and name HN)4.0 2.2 2.0 
assign(resid 11 and name HA#)(resid 11 and name HN)3.0 1.2 1.5
assign(resid 11 and name HA#)(resid 12 and name HN)4.0 2.2 2.0
assign(resid 11 and name HN)(resid 13 and name HN)4.0 2.2 1.0 
!Thr12
assign(resid 12 and name HA)(resid 13 and name HN)4.0 2.2 1.0 
assign(resid 12 and name HB)(resid 12 and name HA)4.0 2.2 1.0
assign(resid 12 and name HB)(resid 13 and name HN)4.0 2.2 1.0 
assign(resid 12 and name HB)(resid 12 and name HN)3.0 1.2 0.8 
assign(resid 12 and name HB)(resid 15 and name HN)4.0 1.2 1.5 
assign(resid 12 and name HG2#)(resid 12 and name HA)4.0 2.2 2.5 
assign(resid 12 and name HG2#)(resid 12 and name HB)3.0 1.2 1.8 
assign(resid 12 and name HG2#)(resid 13 and name HA)4.0 2.2 2.5 
assign(resid 12 and name HG2#)(resid 9 and name HA)4.0 2.2 2.5  
assign(resid 12 and name HG2#)(resid 13 and name HN)4.0 2.2 2.5 
assign(resid 12 and name HG2#)(resid 11 and name HN)4.0 2.2 3.0  
assign(resid 12 and name HG2#)(resid 14 and name HN)4.0 2.2 3.0 
assign(resid 12 and name HG2#)(resid 16 and name HD#)4.0 2.2 4.9 
assign(resid 12 and name HG2#)(resid 16 and name HE#)4.0 2.2 4.9 
assign(resid 12 and name HG2#)(resid 12 and name HN)4.0 2.2 2.5 
assign(resid 12 and name HG2#)(resid 9 and name HG1#)4.0 2.2 4.0
assign(resid 12 and name HG2#)(resid 9 and name HG2#)4.0 2.2 4.0
assign(resid 12 and name HN)(resid 11 and name HN)3.0 1.2 0.5 
assign(resid 12 and name HN)(resid 13 and name HN)3.0 1.2 0.5 
assign(resid 12 and name HN)(resid 14 and name HN)4.0 2.2 1.0 
!Val13
assign(resid 13 and name HA)(resid 13 and name HN)3.0 1.2 0.7 
assign(resid 13 and name HA)(resid 12 and name HN)4.0 2.2 2.0 
assign(resid 13 and name HA)(resid 16 and name HB#)3.0 1.2 1.8 
assign(resid 13 and name HA)(resid 16 and name HD#)4.0 2.2 3.4 
assign(resid 13 and name HA)(resid 16 and name HN)4.0 2.2 1.0
assign(resid 13 and name HA)(resid 17 and name HN)4.0 2.2 1.0
assign(resid 13 and name HA)(resid 14 and name HN)4.0 2.2 1.0 
assign(resid 13 and name HB)(resid 12 and name HN)4.0 2.2 1.0  
assign(resid 13 and name HB)(resid 13 and name HA)3.0 1.2 0.3 
assign(resid 13 and name HB)(resid 13 and name HN)3.0 1.2 0.5
assign(resid 13 and name HB)(resid 14 and name HA)4.0 2.2 1.0  
assign(resid 13 and name HB)(resid 14 and name HN)3.0 1.2 0.5
assign(resid 13 and name HB)(resid 15 and name HN)4.0 2.2 2.0 
assign(resid 13 and name HG1#)(resid 12 and name HN)4.0 2.2 2.5 
assign(resid 13 and name HG1#)(resid 11 and name HN)4.0 2.2 2.5
assign(resid 13 and name HG1#)(resid 10 and name HN)4.0 2.2 2.5 
assign(resid 13 and name HG1#)(resid 9 and name HA)4.0 2.2 2.5  
assign(resid 13 and name HG1#)(resid 17 and name HB#)4.0 2.2 4.0 
assign(resid 13 and name HG1#)(resid 9 and name HN)4.0 2.2 2.5
assign(resid 13 and name HG1#)(resid 10 and name HN)4.0 2.2 2.5 
assign(resid 13 and name HG1#)(resid 13 and name HA)3.0 1.2 1.8 
assign(resid 13 and name HG1#)(resid 13 and name HB)2.5 0.7 1.7 
assign(resid 13 and name HG1#)(resid 13 and name HN)3.0 1.2 1.8 
assign(resid 13 and name HG1#)(resid 14 and name HN)3.0 1.2 2.5  
assign(resid 13 and name HG1#)(resid 16 and name HB#)4.0 2.2 3.5 
assign(resid 13 and name HG1#)(resid 16 and name HD#)4.0 2.2 4.9 
assign(resid 13 and name HG1#)(resid 17 and name HN)4.0 2.2 2.5 
assign(resid 13 and name HG2#)(resid 12 and name HN)4.0 2.2 2.5 
assign(resid 13 and name HG2#)(resid 17 and name HB#)4.0 2.2 4.0 
assign(resid 13 and name HG2#)(resid 10 and name HA)4.0 2.2 2.5 
assign(resid 13 and name HG2#)(resid 13 and name HA)3.0 1.2 1.8 
assign(resid 13 and name HG2#)(resid 13 and name HB)2.5 0.7 1.7 
assign(resid 13 and name HG2#)(resid 13 and name HN)3.0 1.2 2.0 
assign(resid 13 and name HG2#)(resid 14 and name HN)3.0 1.2 2.5  
assign(resid 13 and name HG2#)(resid 16 and name HB#)4.0 2.2 3.5 
assign(resid 13 and name HG2#)(resid 16 and name HD#)4.0 2.2 4.9 
assign(resid 13 and name HG2#)(resid 17 and name HN)4.0 2.2 2.5
assign(resid 13 and name HN)(resid 14 and name HN)3.0 1.2 0.5
!Ala14
assign(resid 14 and name HA)(resid 14 and name HN)3.0 1.2 0.5
assign(resid 14 and name HA)(resid 17 and name HN)4.0 2.2 1.0
assign(resid 14 and name HA)(resid 18 and name HN)4.0 2.2 2.0 
assign(resid 14 and name HA)(resid 15 and name HN)4.0 2.2 1.0  
assign(resid 14 and name HB#)(resid 15 and name HB)4.0 2.2 2.5
assign(resid 14 and name HB#)(resid 17 and name HN)4.0 2.2 2.5
assign(resid 14 and name HB#)(resid 9 and name HN)4.0 2.2 2.5
assign(resid 14 and name HB#)(resid 13 and name HA)4.0 2.2 2.5 
assign(resid 14 and name HB#)(resid 13 and name HB)3.0 1.2 2.0 
assign(resid 14 and name HB#)(resid 12 and name HN)4.0 2.2 2.5 
assign(resid 14 and name HB#)(resid 14 and name HA)2.5 0.7 1.7 
assign(resid 14 and name HB#)(resid 14 and name HN)3.0 1.2 1.8 
assign(resid 14 and name HB#)(resid 16 and name HB#)4.0 2.2 3.5  
assign(resid 14 and name HB#)(resid 15 and name HN)4.0 2.2 2.5 
assign(resid 14 and name HB#)(resid 10 and name HA)4.0 2.2 2.5 
assign(resid 14 and name HN)(resid 17 and name HN)4.0 2.2 2.5  
!Thr15
assign(resid 15 and name HB)(resid 15 and name HA)4.0 2.2 1.0
assign(resid 15 and name HB)(resid 18 and name HB#)3.0 1.2 1.5  
assign(resid 15 and name HG2#)(resid 15 and name HB)3.0 1.2 2.0 
assign(resid 15 and name HG2#)(resid 15 and name HA)4.0 2.2 2.5 
assign(resid 15 and name HG2#)(resid 15 and name HN)4.0 2.2 2.5 
assign(resid 15 and name HG2#)(resid 16 and name HN)4.0 2.2 2.5 
assign(resid 15 and name HG2#)(resid 14 and name HN)4.0 2.2 3.5
assign(resid 15 and name HN)(resid 14 and name HN)4.0 2.2 1.0 
assign(resid 15 and name HN)(resid 13 and name HN)3.0 1.2 1.5 
assign(resid 13 and name HN)(resid 15 and name HN)4.0 2.2 1.0 
!Tyr16
assign(resid 16 and name HA)(resid 17 and name HB#)4.0 2.2 2.5
assign(resid 16 and name HA)(resid 16 and name HB#)3.0 1.2 1.5 
assign(resid 16 and name HA)(resid 16 and name HD#)4.0 2.2 3.4 
assign(resid 16 and name HA)(resid 16 and name HE#)4.0 2.2 3.4  
assign(resid 16 and name HA)(resid 17 and name HN)4.0 2.2 1.0
assign(resid 16 and name HB#)(resid 16 and name HD#)3.0 1.2 3.5  
assign(resid 16 and name HB#)(resid 16 and name HE#)4.0 2.2 4.9 
assign(resid 16 and name HB#)(resid 16 and name HN)3.0 1.2 1.5
assign(resid 16 and name HB#)(resid 17 and name HN)3.0 1.2 1.5
assign(resid 16 and name HD#)(resid 17 and name HN)4.0 2.2 3.4 
assign(resid 16 and name HN)(resid 17 and name HN)3.0 1.2 0.5
!Ala17
assign(resid 17 and name HA)(resid 19 and name HN)3.0 1.2 0.8 
assign(resid 17 and name HA)(resid 14 and name HA)4.0 2.2 1.5  
assign(resid 17 and name HB#)(resid 13 and name HA)4.0 2.2 2.5
assign(resid 17 and name HB#)(resid 14 and name HA)3.0 1.2 2.0
assign(resid 17 and name HB#)(resid 14 and name HN)4.0 2.2 2.5
assign(resid 17 and name HB#)(resid 13 and name HN)4.0 2.2 3.5
assign(resid 17 and name HB#)(resid 16 and name HB#)3.0 1.2 3.0
assign(resid 17 and name HB#)(resid 16 and name HD#)4.0 2.2 4.9
assign(resid 17 and name HB#)(resid 16 and name HE#)4.0 2.2 4.9
assign(resid 17 and name HB#)(resid 16 and name HN)3.0 1.2 2.2 
assign(resid 17 and name HB#)(resid 21 and name HN)4.0 2.2 2.5
assign(resid 17 and name HB#)(resid 20 and name HN)4.0 2.2 2.5 
assign(resid 17 and name HB#)(resid 17 and name HA)3.0 1.2 1.8 
assign(resid 17 and name HB#)(resid 17 and name HN)3.0 1.2 1.8
assign(resid 17 and name HB#)(resid 18 and name HB#)4.0 2.2 3.5
assign(resid 17 and name HB#)(resid 19 and name HN)4.0 2.2 2.5 
assign(resid 17 and name HB#)(resid 21 and name HE#)4.0 2.2 4.9
assign(resid 17 and name HB#)(resid 21 and name HD#)4.0 2.2 4.9
!Trp18
assign(resid 18 and name HZ2)(resid 18 and name HE1)3.0 1.2 0.3 
assign(resid 18 and name HZ3)(resid 18 and name HH2)2.5 0.7 0.2
assign(resid 18 and name HZ3)(resid 18 and name HE3)2.5 0.7 0.2 
assign(resid 18 and name HH2)(resid 18 and name HZ2)3.0 1.2 0.2 
assign(resid 18 and name HE3)(resid 18 and name HN)4.0 2.2 1.0 
assign(resid 18 and name HA)(resid 19 and name HN)4.0 2.2 1.0 
assign(resid 18 and name HA)(resid 18 and name HE3)4.0 2.2 1.0 
assign(resid 18 and name HA)(resid 18 and name HD1)4.0 2.2 2.0
assign(resid 18 and name HA)(resid 18 and name HB#)3.0 1.2 1.5 
assign(resid 18 and name HA)(resid 18 and name HN)4.0 2.2 1.0 
assign(resid 18 and name HA)(resid 21 and name HB#)4.0 2.2 3.0 
assign(resid 18 and name HA)(resid 21 and name HN)4.0 2.2 2.0 
assign(resid 18 and name HA)(resid 20 and name HN)4.0 2.2 1.0
assign(resid 18 and name HA)(resid 22 and name HN)4.0 2.2 2.0
assign(resid 18 and name HB#)(resid 20 and name HN)4.0 2.2 2.0  
assign(resid 18 and name HB#)(resid 18 and name HE1)4.0 2.2 2.5 
assign(resid 18 and name HB#)(resid 18 and name HD1)3.0 1.2 1.8  
assign(resid 18 and name HB#)(resid 18 and name HE3)3.0 1.2 1.5  
assign(resid 18 and name HB#)(resid 18 and name HN)3.0 1.2 1.3 
assign(resid 18 and name HB#)(resid 18 and name HZ3)4.0 2.2 2.5  
assign(resid 18 and name HB#)(resid 19 and name HN)3.0 1.2 1.5
assign(resid 18 and name HN)(resid 22 and name HN)4.0 2.2 3.0
!Asn19
assign(resid 19 and name HA)(resid 22 and name HG#)4.0 2.2 4.4 
assign(resid 19 and name HA)(resid 18 and name HD1)4.0 2.2 2.0 
assign(resid 19 and name HA)(resid 18 and name HE1)4.0 2.2 3.0  
assign(resid 19 and name HA)(resid 19 and name HN)4.0 2.2 1.0 
assign(resid 19 and name HB#)(resid 18 and name HB#)4.0 2.2 3.0
assign(resid 19 and name HB2)(resid 19 and name HD2#)4.0 2.2 2.0 
assign(resid 19 and name HB2)(resid 19 and name HN)3.0 1.2 0.8 
assign(resid 19 and name HB2)(resid 20 and name HN)4.0 2.2 1.0
assign(resid 19 and name HB1)(resid 20 and name HN)4.0 2.2 1.0 
assign(resid 19 and name HB1)(resid 19 and name HD2#)4.0 2.2 2.0 
assign(resid 19 and name HB1)(resid 19 and name HN)3.0 1.2 0.8 
assign(resid 19 and name HN)(resid 18 and name HN)3.0 1.2 0.8  
assign(resid 19 and name HN)(resid 22 and name HN)4.0 2.2 2.5
assign(resid 19 and name HD21)(resid 19 and name HN)4.0 2.2 1.0
assign(resid 19 and name HD22)(resid 19 and name HN)4.0 2.2 1.0
!Arg20
assign(resid 20 and name HA)(resid 20 and name HD#)4.0 2.2 2.0 
assign(resid 20 and name HA)(resid 20 and name HE)4.0 2.2 2.0 
assign(resid 20 and name HA)(resid 22 and name HN)4.0 2.2 1.0
assign(resid 20 and name HB#)(resid 19 and name HB#)4.0 2.2 3.0 
assign(resid 20 and name HB#)(resid 20 and name HD#)3.0 1.2 2.5 
assign(resid 20 and name HB#)(resid 20 and name HE)3.0 1.2 1.6 
assign(resid 20 and name HB#)(resid 21 and name HD#)3.0 1.2 4.0 
assign(resid 20 and name HB#)(resid 21 and name HE#)3.0 1.2 4.0 
assign(resid 20 and name HB#)(resid 20 and name HN)3.0 1.2 1.5 
assign(resid 20 and name HB#)(resid 21 and name HN)3.0 1.2 1.5 
assign(resid 20 and name HB#)(resid 22 and name HN)3.0 1.2 1.5 
assign(resid 20 and name HB#)(resid 20 and name HA)3.0 1.2 1.3 
assign(resid 20 and name HB#)(resid 21 and name HB#)4.0 2.2 3.0 
assign(resid 20 and name HG#)(resid 20 and name HA)3.0 1.2 1.6 
assign(resid 20 and name HG#)(resid 20 and name HN)3.0 1.2 1.8 
assign(resid 20 and name HG#)(resid 21 and name HN)4.0 2.2 2.0 
assign(resid 20 and name HG#)(resid 21 and name HD#)4.0 2.2 4.4
assign(resid 20 and name HG1)(resid 20 and name HE)4.0 2.2 1.0
assign(resid 20 and name HG2)(resid 20 and name HE)4.0 2.2 1.0 
assign(resid 20 and name HD1)(resid 16 and name HE#)4.0 2.2 3.4 
assign(resid 20 and name HD1)(resid 20 and name HN)4.0 2.2 1.0 
assign(resid 20 and name HD#)(resid 21 and name HE#)4.0 2.2 4.4 
assign(resid 20 and name HD2)(resid 16 and name HE#)4.0 2.2 3.4 
assign(resid 20 and name HN)(resid 19 and name HN)3.0 1.2 0.5 
assign(resid 20 and name HN)(resid 17 and name HN)4.0 2.2 2.0
!Tyr21
assign(resid 21 and name HA)(resid 21 and name HD#)3.0 1.2 2.5 
assign(resid 21 and name HA)(resid 21 and name HE#)4.0 2.2 3.0 
assign(resid 21 and name HA)(resid 22 and name HN)4.0 2.2 1.5 
assign(resid 21 and name HB#)(resid 18 and name HA)5.0 2.2 2.0 
assign(resid 21 and name HB1)(resid 21 and name HD#)3.0 1.2 2.7 
assign(resid 21 and name HB1)(resid 21 and name HE#)4.0 2.2 3.4 
assign(resid 21 and name HB2)(resid 21 and name HN)4.0 2.2 1.0
assign(resid 21 and name HB1)(resid 22 and name HN)4.0 2.2 1.0 
assign(resid 21 and name HB2)(resid 21 and name HD#)3.0 1.2 2.7 
assign(resid 21 and name HB2)(resid 21 and name HE#)4.0 2.2 3.4 
assign(resid 21 and name HB1)(resid 21 and name HN)3.0 1.2 0.5
assign(resid 21 and name HB2)(resid 22 and name HN)4.0 2.2 1.0 
assign(resid 21 and name HD#)(resid 21 and name HN)3.0 1.2 2.9 
assign(resid 21 and name HN)(resid 22 and name HN)3.0 1.2 0.5 
assign(resid 21 and name HN)(resid 17 and name HN)4.0 2.2 2.5
!Val22
assign(resid 22 and name HA)(resid 21 and name HN)4.0 2.2 2.0
assign(resid 22 and name HA)(resid 22 and name HN)3.0 1.2 0.5
assign(resid 22 and name HB)(resid 22 and name HA)3.0 1.2 0.3
assign(resid 22 and name HB)(resid 22 and name HN)3.0 1.2 0.5
assign(resid 22 and name HG#)(resid 18 and name HE1)3.0 1.2 4.4 
assign(resid 22 and name HG#)(resid 18 and name HD1)3.0 1.2 4.4 
assign(resid 22 and name HG#)(resid 18 and name HE3)3.0 1.2 4.4 
assign(resid 22 and name HG#)(resid 18 and name HH2)3.0 1.2 4.4 
assign(resid 22 and name HG#)(resid 18 and name HZ2)3.0 1.2 3.9
assign(resid 22 and name HG#)(resid 18 and name HA)4.0 2.2 4.4 
assign(resid 22 and name HG#)(resid 18 and name HB#)4.0 2.2 5.4 
assign(resid 22 and name HG#)(resid 18 and name HN)4.0 2.2 4.4 
assign(resid 22 and name HG#)(resid 19 and name HN)4.0 2.2 4.4 
assign(resid 22 and name HG#)(resid 21 and name HB1)3.0 1.2 4.4 
assign(resid 22 and name HG#)(resid 21 and name HB2)3.0 1.2 4.4 
assign(resid 22 and name HG#)(resid 21 and name HD#)4.0 2.2 6.8 
assign(resid 22 and name HG#)(resid 21 and name HE#)4.0 2.2 6.8
assign(resid 22 and name HG#)(resid 21 and name HN)3.0 1.2 4.2  
assign(resid 22 and name HG#)(resid 22 and name HA)2.5 0.7 3.6 
assign(resid 22 and name HG#)(resid 22 and name HN)3.0 1.2 3.7 
assign(resid 22 and name HG#)(resid 20 and name HN)4.0 2.2 4.8