*HEADER    CIRCADIAN CLOCK PROTEIN                 23-JUN-02   1M2E              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF                        
*TITLE    2 SYNECHOCOCCUS ELONGATUS KAIA (KAIA135N); AVERAGE MINIMIZED           
*TITLE    3 STRUCTURE.                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KAIA;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN (RESIDUES 1-135);                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS;                        
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: KAIA;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET32A                                    
*KEYWDS    ALPHA-BETA-ALPHA SANDWICH                                             
*EXPDTA    NMR                                                                   
*AUTHOR    S.B.WILLIAMS, I.VAKONAKIS, S.S.GOLDEN, A.C.LIWANG                     
*REVDAT   1   13-NOV-02 1M2E    0                                                

! From 13C-15N 4D NOESY

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assign (resid 16 and name HD1# ) (resid 16 and name HN ) 3.0 1.2 1.0
assign (resid 16 and name HB ) (resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 16 and name HG1# ) (resid 17 and name HN ) 4.0 2.2 2.0
assign (resid 16 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0
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assign (resid 16 and name HD1# ) (resid 17 and name HN ) 4.0 2.2 1.5
assign (resid 16 and name HN ) (resid 17 and name HA ) 4.0 2.2 2.0
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assign (resid 17 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0
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assign (resid 111 and name HB1 ) (resid 112 and name HN ) 4.0 2.2 1.0
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assign (resid 111 and name HA ) (resid 113 and name HN ) 4.0 2.2 1.0
assign (resid 111 and name HA ) (resid 114 and name HN ) 4.0 2.2 1
assign (resid 112 and name HG# ) (resid 112 and name HN ) 3.0 1.2 0.5
assign (resid 112 and name HN ) (resid 113 and name HA ) 4.0 2.2 2.0
assign (resid 112 and name HN ) (resid 113 and name HG# ) 4.0 2.2 1.0
assign (resid 112 and name HA ) (resid 113 and name HN ) 4.0 2.2 1
assign (resid 112 and name HG# ) (resid 113 and name HN ) 4.0 2.2 1
assign (resid 112 and name HA ) (resid 114 and name HN ) 4.0 2.2 1
assign (resid 113 and name HB1 ) (resid 113 and name HN ) 4.0 2.2 1
assign (resid 113 and name HB2 ) (resid 113 and name HN ) 3.0 1.2 0.5
assign (resid 113 and name HG# ) (resid 113 and name HN ) 3.0 1.2 0.5
assign (resid 113 and name HB1 ) (resid 114 and name HN ) 4.0 2.2 1.0
assign (resid 113 and name HB2 ) (resid 114 and name HN ) 4.0 2.2 1.0
assign (resid 113 and name HA ) (resid 114 and name HN ) 4.0 2.2 1
assign (resid 113 and name HG# ) (resid 114 and name HN ) 4.0 2.2 1.0
assign (resid 113 and name HN ) (resid 114 and name HG ) 4.0 2.2 1.0
assign (resid 113 and name HN ) (resid 114 and name HD1# ) 4.0 2.2 1.5
assign (resid 114 and name HD1# ) (resid 114 and name HN ) 3.0 1.2 1.0
assign (resid 114 and name HD2# ) (resid 114 and name HN ) 4.0 2.2 1.5
assign (resid 114 and name HG ) (resid 114 and name HN ) 3.0 1.2 0.5
assign (resid 114 and name HB# ) (resid 114 and name HN ) 3.0 1.2 0.5
assign (resid 114 and name HN ) (resid 115 and name HD2 ) 3.0 1.2 0.5
assign (resid 114 and name HN ) (resid 115 and name HD1 ) 3.0 1.2 0.5
assign (resid 114 and name HA ) (resid 116 and name HN ) 4.0 2.2 2.0
assign (resid 114 and name HA ) (resid 118 and name HN ) 3.0 1.2 0.5
assign (resid 115 and name HB1 ) (resid 116 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HD2 ) (resid 116 and name HN ) 4.0 2.2 1
assign (resid 115 and name HB2 ) (resid 116 and name HN ) 4.0 2.2 1
assign (resid 115 and name HA ) (resid 116 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HG# ) (resid 116 and name HN ) 4.0 2.2 1
assign (resid 115 and name HD1 ) (resid 116 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HA ) (resid 118 and name HN ) 4.0 2.2 1.0
assign (resid 115 and name HA ) (resid 119 and name HN ) 4.0 2.2 2.0
assign (resid 116 and name HD# ) (resid 116 and name HN ) 4.0 2.2 1
assign (resid 116 and name HE# ) (resid 116 and name HN ) 4.0 2.2 2.0
assign (resid 116 and name HB# ) (resid 116 and name HN ) 3.0 1.2 0.5
assign (resid 116 and name HA ) (resid 117 and name HN ) 3.0 1.2 0.5
assign (resid 116 and name HD# ) (resid 117 and name HN ) 4.0 2.2 1
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assign (resid 116 and name HA ) (resid 118 and name HN ) 4.0 2.2 1.0
assign (resid 116 and name HA ) (resid 119 and name HN ) 3.0 1.2 0.5
assign (resid 116 and name HB# ) (resid 119 and name HN ) 4.0 2.2 2.0
assign (resid 116 and name HA ) (resid 120 and name HN ) 4.0 2.2 1.0
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assign (resid 117 and name HB2 ) (resid 118 and name HN ) 3.0 1.2 0.5
assign (resid 117 and name HA ) (resid 118 and name HN ) 3.0 1.2 0.5
assign (resid 117 and name HB1 ) (resid 118 and name HN ) 3.0 1.2 0.5
assign (resid 117 and name HA ) (resid 120 and name HN ) 3.0 1.2 0.5
assign (resid 117 and name HA ) (resid 121 and name HN ) 4.0 2.2 1.0
assign (resid 118 and name HB ) (resid 118 and name HN ) 3.0 1.2 0.5
assign (resid 118 and name HG1# ) (resid 118 and name HN ) 4.0 2.2 1.5
assign (resid 118 and name HG2# ) (resid 118 and name HN ) 2.5 0.7 0.9
assign (resid 118 and name HA ) (resid 119 and name HN ) 4.0 2.2 1.0
assign (resid 118 and name HG1# ) (resid 119 and name HN ) 4.0 2.2 1.5
assign (resid 118 and name HG2# ) (resid 119 and name HN ) 4.0 2.2 1.5
assign (resid 118 and name HB ) (resid 119 and name HN ) 3.0 1.2 0.5
assign (resid 118 and name HA ) (resid 120 and name HN ) 4.0 2.2 2.0
assign (resid 118 and name HG1# ) (resid 120 and name HN ) 4.0 2.2 2.5
assign (resid 118 and name HA ) (resid 121 and name HN ) 3.0 1.2 0.5
assign (resid 118 and name HA ) (resid 122 and name HN ) 4.0 2.2 2.0
assign (resid 119 and name HB# ) (resid 119 and name HN ) 3.0 1.2 0.5
assign (resid 119 and name HA ) (resid 120 and name HN ) 4.0 2.2 1.0
assign (resid 119 and name HB# ) (resid 120 and name HN ) 3.0 1.2 0.5
assign (resid 119 and name HN ) (resid 120 and name HA ) 4.0 2.2 2.0
assign (resid 119 and name HN ) (resid 120 and name HB# ) 4.0 2.2 1.5
assign (resid 119 and name HA ) (resid 121 and name HN ) 4.0 2.2 1.0
assign (resid 119 and name HA ) (resid 122 and name HN ) 4.0 2.2 1
assign (resid 119 and name HN ) (resid 122 and name HD* ) 4.0 2.2 2.5
assign (resid 120 and name HB# ) (resid 120 and name HN ) 2.5 0.7 0.9
assign (resid 120 and name HA ) (resid 121 and name HN ) 4.0 2.2 1.0
assign (resid 120 and name HB# ) (resid 121 and name HN ) 3.0 1.2 1.0
assign (resid 121 and name HB# ) (resid 121 and name HN ) 2.5 0.7 0.9
assign (resid 121 and name HN ) (resid 122 and name HB# ) 4.0 2.2 2.0
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assign (resid 121 and name HB# ) (resid 122 and name HN ) 3.0 1.2 1.0
assign (resid 121 and name HA ) (resid 124 and name HN ) 3.0 1.2 0.5
assign (resid 121 and name HA ) (resid 125 and name HN ) 4.0 2.2 1.0
assign (resid 122 and name HB# ) (resid 122 and name HN ) 4.0 2.2 1.0
assign (resid 122 and name HD* ) (resid 122 and name HN ) 3.0 1.2 1.0
assign (resid 122 and name HG ) (resid 122 and name HN ) 3.0 1.2 0.5
assign (resid 122 and name HA ) (resid 123 and name HN ) 4.0 2.2 1
assign (resid 122 and name HB# ) (resid 123 and name HN ) 3.0 1.2 0.5
assign (resid 122 and name HA ) (resid 125 and name HN ) 3.0 1.2 0.5
assign (resid 122 and name HA ) (resid 126 and name HN ) 4.0 2.2 1.0
assign (resid 123 and name HB# ) (resid 123 and name HN ) 2.5 0.7 0.9
assign (resid 123 and name HA ) (resid 124 and name HN ) 4.0 2.2 1
assign (resid 123 and name HB# ) (resid 124 and name HN ) 3.0 1.2 1
assign (resid 123 and name HB# ) (resid 126 and name HN ) 4.0 2.2 1.5
assign (resid 123 and name HA ) (resid 126 and name HN ) 3.0 1.2 0.5
assign (resid 123 and name HB# ) (resid 127 and name HN ) 4.0 2.2 2.5
assign (resid 123 and name HA ) (resid 127 and name HN ) 4.0 2.2 1.0
assign (resid 124 and name HB1 ) (resid 124 and name HN ) 3.0 1.2 0.5
assign (resid 124 and name HB2 ) (resid 124 and name HN ) 3.0 1.2 0.5
assign (resid 124 and name HG# ) (resid 124 and name HN ) 4.0 2.2 1
assign (resid 124 and name HB1 ) (resid 125 and name HN ) 4.0 2.2 1
assign (resid 124 and name HA ) (resid 125 and name HN ) 4.0 2.2 1.0
assign (resid 124 and name HB2 ) (resid 125 and name HN ) 4.0 2.2 1.0
assign (resid 124 and name HG# ) (resid 125 and name HN ) 4.0 2.2 1.0
assign (resid 124 and name HA ) (resid 126 and name HN ) 4.0 2.2 2.0
assign (resid 124 and name HA ) (resid 127 and name HN ) 4.0 2.2 1
assign (resid 124 and name HA ) (resid 128 and name HN ) 4.0 2.2 2.0
assign (resid 125 and name HB# ) (resid 125 and name HN ) 3.0 1.2 0.5
assign (resid 125 and name HD# ) (resid 125 and name HN ) 4.0 2.2 1.0
assign (resid 125 and name HA ) (resid 126 and name HN ) 4.0 2.2 1.0
assign (resid 125 and name HB# ) (resid 126 and name HN ) 4.0 2.2 1
assign (resid 125 and name HD# ) (resid 126 and name HN ) 4.0 2.2 1.0
assign (resid 125 and name HA ) (resid 127 and name HN ) 4.0 2.2 2.0
assign (resid 125 and name HA ) (resid 128 and name HN ) 4.0 2.2 2.0
assign (resid 125 and name HA ) (resid 129 and name HN ) 4.0 2.2 2.0
assign (resid 126 and name HD2# ) (resid 126 and name HN ) 4.0 2.2 1.5
assign (resid 126 and name HG ) (resid 126 and name HN ) 3.0 1.2 0.5
assign (resid 126 and name HD1# ) (resid 126 and name HN ) 4.0 2.2 1.5
assign (resid 126 and name HB1 ) (resid 126 and name HN ) 3.0 1.2 0.5
assign (resid 126 and name HB2 ) (resid 126 and name HN ) 3.0 1.2 0.5
assign (resid 126 and name HG ) (resid 127 and name HN ) 4.0 2.2 1.0
assign (resid 126 and name HD1# ) (resid 127 and name HN ) 4.0 2.2 2.5
assign (resid 126 and name HD2# ) (resid 127 and name HN ) 4.0 2.2 1.5
assign (resid 126 and name HB1 ) (resid 127 and name HN ) 4.0 2.2 1
assign (resid 126 and name HB2 ) (resid 127 and name HN ) 4.0 2.2 1
assign (resid 126 and name HN ) (resid 127 and name HB# ) 4.0 2.2 2.0
assign (resid 126 and name HB2 ) (resid 128 and name HN ) 4.0 2.2 2.0
assign (resid 126 and name HD2# ) (resid 129 and name HN ) 4.0 2.2 2.5
assign (resid 126 and name HA ) (resid 129 and name HN ) 4.0 2.2 1.0
assign (resid 127 and name HB# ) (resid 127 and name HN ) 3.0 1.2 0.5
assign (resid 127 and name HD# ) (resid 127 and name HN ) 4.0 2.2 2.0
assign (resid 127 and name HA ) (resid 128 and name HN ) 4.0 2.2 1.0
assign (resid 127 and name HB# ) (resid 128 and name HN ) 4.0 2.2 1
assign (resid 127 and name HA ) (resid 129 and name HN ) 4.0 2.2 2.0
assign (resid 128 and name HD1# ) (resid 128 and name HN ) 4.0 2.2 1.5
assign (resid 128 and name HG ) (resid 128 and name HN ) 4.0 2.2 1
assign (resid 128 and name HB# ) (resid 128 and name HN ) 3.0 1.2 0.5
assign (resid 128 and name HD1# ) (resid 129 and name HN ) 4.0 2.2 2.5
assign (resid 128 and name HG ) (resid 129 and name HN ) 4.0 2.2 2.0
assign (resid 128 and name HA ) (resid 129 and name HN ) 4.0 2.2 1
assign (resid 128 and name HD2# ) (resid 129 and name HN ) 4.0 2.2 2.5
assign (resid 128 and name HB# ) (resid 129 and name HN ) 4.0 2.2 1.0
assign (resid 128 and name HN ) (resid 129 and name HB# ) 4.0 2.2 1.5
assign (resid 128 and name HN ) (resid 129 and name HA ) 4.0 2.2 2.0
assign (resid 128 and name HN ) (resid 131 and name HG* ) 4.0 2.2 2.5
assign (resid 129 and name HB# ) (resid 129 and name HN ) 2.5 0.7 0.9
assign (resid 129 and name HN ) (resid 130 and name HA ) 4.0 2.2 1.0
assign (resid 129 and name HN ) (resid 131 and name HG* ) 4.0 2.2 2.5
assign (resid 129 and name HB# ) (resid 131 and name HN ) 4.0 2.2 1.5
assign (resid 129 and name HA ) (resid 131 and name HN ) 3.0 1.2 0.5
assign (resid 130 and name HG1 ) (resid 131 and name HN ) 4.0 2.2 2.0
assign (resid 130 and name HG2 ) (resid 131 and name HN ) 4.0 2.2 2.0
assign (resid 130 and name HA ) (resid 131 and name HN ) 3.0 1.2 0.5
assign (resid 130 and name HB2 ) (resid 131 and name HN ) 4.0 2.2 1.0
assign (resid 130 and name HB1 ) (resid 131 and name HN ) 4.0 2.2 1.0
assign (resid 131 and name HG* ) (resid 131 and name HN ) 3.0 1.2 1.0
assign (resid 131 and name HB ) (resid 131 and name HN ) 4.0 2.2 1.0
assign (resid 131 and name HA ) (resid 132 and name HN ) 2.5 0.7 0.4
assign (resid 131 and name HB ) (resid 132 and name HN ) 3.0 1.2 0.5
assign (resid 131 and name HG* ) (resid 132 and name HN ) 4.0 2.2 1.5
assign (resid 131 and name HG* ) (resid 133 and name HN ) 4.0 2.2 2.5
assign (resid 132 and name HG# ) (resid 132 and name HN ) 4.0 2.2 1.0
assign (resid 132 and name HB# ) (resid 132 and name HN ) 3.0 1.2 0.5
assign (resid 132 and name HB# ) (resid 133 and name HN ) 4.0 2.2 1.0
assign (resid 132 and name HA ) (resid 133 and name HN ) 2.5 0.7 0.4
assign (resid 132 and name HG# ) (resid 133 and name HN ) 4.0 2.2 1.0
assign (resid 133 and name HG2# ) (resid 133 and name HN ) 3.0 1.2 1.0
assign (resid 133 and name HB ) (resid 133 and name HN ) 4.0 2.2 1.0
assign (resid 133 and name HA ) (resid 134 and name HN ) 3.0 1.2 0.5
assign (resid 133 and name HB ) (resid 134 and name HN ) 4.0 2.2 1
assign (resid 133 and name HG2# ) (resid 134 and name HN ) 4.0 2.2 1.5
assign (resid 133 and name HB ) (resid 135 and name HN ) 4.0 2.2 1
assign (resid 133 and name HG2# ) (resid 135 and name HN ) 4.0 2.2 1.5
assign (resid 133 and name HA ) (resid 135 and name HN ) 4.0 2.2 1.0
assign (resid 134 and name HG# ) (resid 134 and name HN ) 4.0 2.2 1.0
assign (resid 134 and name HB2 ) (resid 134 and name HN ) 4.0 2.2 1.0
assign (resid 134 and name HB1 ) (resid 134 and name HN ) 4.0 2.2 1
assign (resid 134 and name HB2 ) (resid 135 and name HN ) 4.0 2.2 1.0
assign (resid 134 and name HA ) (resid 135 and name HN ) 4.0 2.2 1
assign (resid 134 and name HG# ) (resid 135 and name HN ) 4.0 2.2 1.0
assign (resid 135 and name HB# ) (resid 135 and name HN ) 3.0 1.2 1.0
assign (resid 4 and name HB# ) (resid 4 and name HE22 ) 4.0 2.2 1.0 
assign (resid 4 and name HB# ) (resid 4 and name HE21 ) 4.0 2.2 1.0 
assign (resid 4 and name HA ) (resid 4 and name HE21 ) 4.0 2.2 2.0 
assign (resid 4 and name HE22 ) (resid 27 and name HA ) 4.0 2.2 2.0 
assign (resid 4 and name HE21 ) (resid 27 and name HA ) 4.0 2.2 2.0 
assign (resid 4 and name HE21 ) (resid 28 and name HA ) 4.0 2.2 1.0   
assign (resid 6 and name HB# ) (resid 30 and name HE21 ) 4.0 2.2 1.5 
assign (resid 14 and name HG2# ) (resid 18 and name HE21 ) 4.0 2.2 2.0 
assign (resid 14 and name HG2# ) (resid 18 and name HE22 ) 4.0 2.2 2.0 
assign (resid 15 and name HA ) (resid 18 and name HE21 ) 4.0 2.2 2.0 
assign (resid 15 and name HA ) (resid 18 and name HE22 ) 4.0 2.2 2.0 
assign (resid 17 and name HG ) (resid 21 and name HE2# ) 4.0 2.2 1.0 
assign (resid 17 and name HD1# ) (resid 21 and name HE2# ) 3.0 1.2 1.0 
assign (resid 17 and name HD2# ) (resid 21 and name HE2# ) 3.0 1.2 1.0 
assign (resid 18 and name HG# ) (resid 18 and name HE21 ) 3.0 1.2 0.5 
assign (resid 18 and name HA ) (resid 21 and name HE2# ) 4.0 2.2 2.0 
assign (resid 21 and name HA ) (resid 21 and name HE2# ) 4.0 2.2 1.0 
assign (resid 21 and name HB1 ) (resid 21 and name HE2# ) 4.0 2.2 1.0 
assign (resid 21 and name HG# ) (resid 21 and name HE2# ) 4.0 2.2 1.0 
assign (resid 21 and name HB2 ) (resid 21 and name HE2# ) 4.0 2.2 1.0 
assign (resid 21 and name HE2# ) (resid 31 and name HD* ) 4.0 2.2 1.5  
assign (resid 21 and name HE2# ) (resid 33 and name HG* ) 4.0 2.2 1.5   
assign (resid 28 and name HB# ) (resid 28 and name HE ) 4.0 2.2 1.0 
assign (resid 28 and name HG# ) (resid 28 and name HE ) 4.0 2.2 2.0 
assign (resid 32 and name HG# ) (resid 32 and name HE2# ) 4.0 2.2 1.0 
assign (resid 32 and name HA ) (resid 32 and name HE2# ) 4.0 2.2 2.0 
assign (resid 32 and name HB# ) (resid 32 and name HE2# ) 4.0 2.2 2.0 
assign (resid 32 and name HE2# ) (resid 33 and name HG* ) 4.0 2.2 2.5 
assign (resid 41 and name HD2# ) (resid 45 and name HE22 ) 4.0 2.2 1.5 
assign (resid 41 and name HD2# ) (resid 45 and name HE22 ) 4.0 2.2 1.5   
assign (resid 41 and name HD2# ) (resid 69 and name HE21 ) 4.0 2.2 2.5 
assign (resid 41 and name HD1# ) (resid 69 and name HE21 ) 4.0 2.2 1.5 
assign (resid 42 and name HA ) (resid 45 and name HE21 ) 4.0 2.2 1.0 
assign (resid 42 and name HA ) (resid 45 and name HE22 ) 4.0 2.2 1.0  
assign (resid 45 and name HB1 ) (resid 45 and name HE21 ) 4.0 2.2 1.0 
assign (resid 45 and name HB2 ) (resid 45 and name HE21 ) 4.0 2.2 1.0
assign (resid 45 and name HG# ) (resid 45 and name HE21 ) 3.0 1.2 0.5 
assign (resid 45 and name HA ) (resid 48 and name HE ) 4.0 2.2 2.0 
assign (resid 48 and name HG# ) (resid 48 and name HE ) 3.0 1.2 0.5 
assign (resid 48 and name HB# ) (resid 48 and name HE ) 4.0 2.2 1.0 
assign (resid 48 and name HE ) (resid 75 and name HG2# ) 4.0 2.2 2.5 
assign (resid 49 and name HB# ) (resid 50 and name HE21 ) 4.0 2.2 2.0 
assign (resid 50 and name HG# ) (resid 50 and name HE21 ) 3.0 1.2 0.5 
assign (resid 50 and name HB1 ) (resid 50 and name HE22 ) 4.0 2.2 1.0
assign (resid 68 and name HB# ) (resid 68 and name HE21 ) 4.0 2.2 1.0 
assign (resid 68 and name HA ) (resid 68 and name HE21 ) 4.0 2.2 2.0
assign (resid 68 and name HG# ) (resid 68 and name HE21 ) 3.0 1.2 0.5 
assign (resid 68 and name HB# ) (resid 68 and name HE22 ) 4.0 2.2 1.0 
assign (resid 68 and name HE21 ) (resid 135 and name HB# ) 4.0 2.2 2.5
assign (resid 69 and name HA ) (resid 69 and name HE21 ) 4.0 2.2 2.0  
assign (resid 69 and name HG# ) (resid 69 and name HE21 ) 3.0 1.2 0.5 
assign (resid 69 and name HG# ) (resid 69 and name HE22 ) 4.0 2.2 1.0  
assign (resid 69 and name HE21 ) (resid 72 and name HB# ) 4.0 2.2 2.0  
assign (resid 104 and name HB# ) (resid 117 and name HE2# ) 4.0 2.2 2.0 
assign (resid 104 and name HD2# ) (resid 117 and name HE2# ) 4.0 2.2 1.5 
assign (resid 106 and name HD1# ) (resid 110 and name HE21 ) 4.0 2.2 2.5 
assign (resid 106 and name HD1# ) (resid 110 and name HE22 ) 4.0 2.2 1.5 
assign (resid 106 and name HD1# ) (resid 113 and name HE21 ) 4.0 2.2 1.5 
assign (resid 106 and name HD1# ) (resid 117 and name HE2# ) 4.0 2.2 1.5 
assign (resid 110 and name HB# ) (resid 110 and name HE21 ) 4.0 2.2 1.0 
assign (resid 110 and name HG# ) (resid 110 and name HE21 ) 3.0 1.2 0.5
assign (resid 110 and name HB# ) (resid 110 and name HE22 ) 4.0 2.2 2.0 
assign (resid 110 and name HG# ) (resid 110 and name HE22 ) 4.0 2.2 1.0 
assign (resid 110 and name HA ) (resid 113 and name HE21 ) 4.0 2.2 1.0 
assign (resid 110 and name HB# ) (resid 113 and name HE21 ) 4.0 2.2 2.0 
assign (resid 110 and name HG# ) (resid 113 and name HE21 ) 4.0 2.2 2.0 
assign (resid 112 and name HG# ) (resid 113 and name HE22 ) 4.0 2.2 2.0 
assign (resid 112 and name HG# ) (resid 113 and name HE21 ) 4.0 2.2 1.0 
assign (resid 113 and name HB1 ) (resid 113 and name HE22 ) 4.0 2.2 1.0 
assign (resid 113 and name HA ) (resid 113 and name HE21 ) 4.0 2.2 1.0 
assign (resid 113 and name HB2 ) (resid 113 and name HE21 ) 4.0 2.2 1.0 
assign (resid 113 and name HB1 ) (resid 113 and name HE21 ) 4.0 2.2 1.0 
assign (resid 113 and name HG# ) (resid 113 and name HE21 ) 2.5 0.7 0.4 
assign (resid 113 and name HB1 ) (resid 117 and name HE2# ) 4.0 2.2 2.0 
assign (resid 116 and name HD# ) (resid 117 and name HE2# ) 4.0 2.2 2.0 
assign (resid 117 and name HB1 ) (resid 117 and name HE2# ) 4.0 2.2 1.0  
assign (resid 117 and name HB2 ) (resid 117 and name HE2# ) 4.0 2.2 1.0 
assign (resid 117 and name HG# ) (resid 117 and name HE2# ) 3.0 1.2 0.5 
assign (resid 117 and name HA ) (resid 117 and name HE2# ) 4.0 2.2 2.0 
assign (resid 117 and name HE2# ) (resid 120 and name HB# ) 4.0 2.2 1.5 




! From 13C-13C 4d NOESY


assign (resid 2 and name HA ) (resid 2 and name HB# ) 3.0 1.2 0.3
assign (resid 2 and name HA ) (resid 2 and name HG ) 3.0 1.2 0.3
assign (resid 2 and name HA ) (resid 2 and name HD* ) 3.0 1.2 0.8
assign (resid 2 and name HB# ) (resid 2 and name HD* ) 2.5 0.7 0.7
assign (resid 2 and name HD* ) (resid 28 and name HD# ) 4.0 2.2 1.5
assign (resid 3 and name HA ) (resid 4 and name HA ) 4.0 2.2 1.0
assign (resid 3 and name HA ) (resid 4 and name HG# ) 4.0 2.2 1.0
assign (resid 3 and name HB# ) (resid 4 and name HA ) 4.0 2.2 1.0
assign (resid 3 and name HB# ) (resid 4 and name HG# ) 4.0 2.2 1.0
assign (resid 4 and name HA ) (resid 28 and name HB# ) 4.0 2.2 1.0
assign (resid 4 and name HA ) (resid 28 and name HD# ) 4.0 2.2 1.0
assign (resid 4 and name HG# ) (resid 28 and name HA ) 3.0 1.2 0.3
assign (resid 5 and name HD1# ) (resid 5 and name HA ) 4.0 2.2 1.5
assign (resid 5 and name HD1# ) (resid 5 and name HB ) 3.0 1.2 0.8
assign (resid 5 and name HA ) (resid 5 and name HG1# ) 3.0 1.2 0.3
assign (resid 5 and name HA ) (resid 5 and name HG2# ) 2.5 0.7 0.7
assign (resid 5 and name HA ) (resid 5 and name HB ) 4.0 2.2 1.0
assign (resid 5 and name HA ) (resid 6 and name HA ) 4.0 2.2 2.0
assign (resid 5 and name HG2# ) (resid 6 and name HA ) 4.0 2.2 1.5
assign (resid 5 and name HA ) (resid 6 and name HB# ) 4.0 2.2 1.5
assign (resid 5 and name HG2# ) (resid 6 and name HB# ) 4.0 2.2 2.0
assign (resid 5 and name HG2# ) (resid 7 and name HA ) 4.0 2.2 1.5
assign (resid 5 and name HD1# ) (resid 28 and name HD# ) 4.0 2.2 1.5
assign (resid 5 and name HB ) (resid 29 and name HA ) 4.0 2.2 1.0
assign (resid 5 and name HB ) (resid 29 and name HD# ) 4.0 2.2 1.0
assign (resid 5 and name HG1# ) (resid 29 and name HD# ) 4.0 2.2 2.0
assign (resid 5 and name HG1# ) (resid 29 and name HE# ) 4.0 2.2 2.0
assign (resid 5 and name HD1# ) (resid 29 and name HD# ) 4.0 2.2 1.5
assign (resid 5 and name HG2# ) (resid 29 and name HD# ) 4.0 2.2 1.5
assign (resid 5 and name HB ) (resid 29 and name HE# ) 4.0 2.2 1.0
assign (resid 5 and name HG2# ) (resid 29 and name HA ) 4.0 2.2 1.5
assign (resid 5 and name HG2# ) (resid 29 and name HE# ) 4.0 2.2 1.5
assign (resid 5 and name HD1# ) (resid 29 and name HA ) 4.0 2.2 1.5
assign (resid 5 and name HD1# ) (resid 29 and name HE# ) 3.0 1.2 0.8
assign (resid 5 and name HA ) (resid 52 and name HB1 ) 4.0 2.2 1.0
assign (resid 5 and name HA ) (resid 52 and name HB2 ) 4.0 2.2 1.0
assign (resid 5 and name HG2# ) (resid 52 and name HB2 ) 3.0 1.2 0.8
assign (resid 5 and name HG2# ) (resid 52 and name HB1 ) 3.0 1.2 0.8
assign (resid 5 and name HG2# ) (resid 52 and name HA ) 4.0 2.2 1.5
assign (resid 5 and name HG2# ) (resid 53 and name HB# ) 4.0 2.2 1.5
assign (resid 6 and name HB# ) (resid 7 and name HA ) 4.0 2.2 2.5
assign (resid 6 and name HA ) (resid 7 and name HG1# ) 4.0 2.2 2.0
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assign (resid 6 and name HA ) (resid 30 and name HB# ) 3.0 1.2 0.3
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assign (resid 6 and name HB# ) (resid 50 and name HA ) 4.0 2.2 1.5
assign (resid 6 and name HB# ) (resid 51 and name HA ) 3.0 1.2 0.8
assign (resid 6 and name HB# ) (resid 52 and name HB2 ) 4.0 2.2 1.5
assign (resid 6 and name HB# ) (resid 52 and name HB1 ) 4.0 2.2 1.5
assign (resid 7 and name HD1# ) (resid 7 and name HB ) 3.0 1.2 0.8
assign (resid 7 and name HA ) (resid 7 and name HG1# ) 4.0 2.2 1.0
assign (resid 7 and name HA ) (resid 7 and name HG2# ) 3.0 1.2 0.8
assign (resid 7 and name HD1# ) (resid 7 and name HA ) 4.0 2.2 1.5
assign (resid 7 and name HA ) (resid 8 and name HB# ) 4.0 2.2 1.0
assign (resid 7 and name HG2# ) (resid 8 and name HA ) 4.0 2.2 1.5
assign (resid 7 and name HD1# ) (resid 24 and name HA ) 4.0 2.2 1.5
assign (resid 7 and name HG2# ) (resid 24 and name HD1# ) 4.0 2.2 2.0
assign (resid 7 and name HD1# ) (resid 24 and name HD1# ) 2.5 0.7 1.2
assign (resid 7 and name HG2# ) (resid 24 and name HD2# ) 4.0 2.2 2.0
assign (resid 7 and name HD1# ) (resid 24 and name HD2# ) 3.0 1.2 1.3
assign (resid 7 and name HD1# ) (resid 29 and name HD# ) 3.0 1.2 0.8
assign (resid 7 and name HD1# ) (resid 29 and name HB2 ) 4.0 2.2 2.5
assign (resid 7 and name HD1# ) (resid 29 and name HB1 ) 4.0 2.2 1.5
assign (resid 7 and name HD1# ) (resid 29 and name HA ) 4.0 2.2 1.5
assign (resid 7 and name HD1# ) (resid 29 and name HE# ) 3.0 1.2 0.8
assign (resid 7 and name HB ) (resid 31 and name HA ) 3.0 1.2 0.3
assign (resid 7 and name HB ) (resid 31 and name HD* ) 4.0 2.2 1.5
assign (resid 7 and name HG2# ) (resid 31 and name HA ) 4.0 2.2 1.5
assign (resid 7 and name HA ) (resid 51 and name HG2# ) 4.0 2.2 1.5
assign (resid 7 and name HA ) (resid 53 and name HB# ) 4.0 2.2 1.0
assign (resid 7 and name HD1# ) (resid 53 and name HB# ) 3.0 1.2 0.8
assign (resid 7 and name HG2# ) (resid 53 and name HB# ) 4.0 2.2 1.5
assign (resid 7 and name HD1# ) (resid 118 and name HB ) 4.0 2.2 1.5
assign (resid 8 and name HA ) (resid 9 and name HB ) 4.0 2.2 1.0
assign (resid 8 and name HA ) (resid 9 and name HG2# ) 4.0 2.2 1.5
assign (resid 8 and name HA ) (resid 31 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HA ) (resid 32 and name HA ) 4.0 2.2 1.0
assign (resid 8 and name HA ) (resid 32 and name HB# ) 4.0 2.2 1.0
assign (resid 8 and name HA ) (resid 33 and name HA ) 4.0 2.2 2.0
assign (resid 8 and name HB# ) (resid 43 and name HD# ) 4.0 2.2 2.0
assign (resid 8 and name HB# ) (resid 43 and name HE# ) 4.0 2.2 1.0
assign (resid 8 and name HB# ) (resid 51 and name HA ) 4.0 2.2 2.0
assign (resid 8 and name HB# ) (resid 51 and name HG2# ) 3.0 1.2 0.8
assign (resid 8 and name HB# ) (resid 51 and name HD1# ) 4.0 2.2 1.5
assign (resid 8 and name HA ) (resid 51 and name HG2# ) 4.0 2.2 2.5
assign (resid 8 and name HB# ) (resid 54 and name HD* ) 4.0 2.2 1.5
assign (resid 8 and name HA ) (resid 55 and name HD1# ) 4.0 2.2 2.5
assign (resid 9 and name HD1# ) (resid 9 and name HA ) 4.0 2.2 1.5
assign (resid 9 and name HG2# ) (resid 9 and name HA ) 4.0 2.2 1.5
assign (resid 9 and name HG2# ) (resid 11 and name HB ) 4.0 2.2 1.5
assign (resid 9 and name HG2# ) (resid 20 and name HB# ) 4.0 2.2 1.5
assign (resid 9 and name HG2# ) (resid 33 and name HA ) 3.0 1.2 0.8
assign (resid 9 and name HA ) (resid 55 and name HD1# ) 4.0 2.2 1.5
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assign (resid 10 and name HE3 ) (resid 10 and name HB1 ) 4.0 2.2 1.0
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assign (resid 10 and name HA ) (resid 10 and name HD1 ) 3.0 1.2 0.3
assign (resid 10 and name HD1 ) (resid 11 and name HA ) 4.0 2.2 2.0
assign (resid 10 and name HA ) (resid 11 and name HG* ) 4.0 2.2 1.5
assign (resid 10 and name HD1 ) (resid 12 and name HG# ) 4.0 2.2 1.0
assign (resid 10 and name HD1 ) (resid 34 and name HB1 ) 4.0 2.2 2.0
assign (resid 10 and name HD1 ) (resid 35 and name HA ) 4.0 2.2 1.0
assign (resid 10 and name HZ2 ) (resid 37 and name HA# ) 4.0 2.2 1.0
assign (resid 10 and name HB1 ) (resid 40 and name HD1# ) 4.0 2.2 2.5
assign (resid 10 and name HA ) (resid 40 and name HD1# ) 4.0 2.2 2.5
assign (resid 10 and name HE3 ) (resid 40 and name HD1# ) 4.0 2.2 2.5
assign (resid 10 and name HE3 ) (resid 54 and name HD* ) 4.0 2.2 2.5
assign (resid 10 and name HB1 ) (resid 56 and name HD2# ) 3.0 1.2 0.8
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assign (resid 10 and name HA ) (resid 56 and name HD2# ) 4.0 2.2 1.5
assign (resid 10 and name HE3 ) (resid 56 and name HD2# ) 3.0 1.2 0.8
assign (resid 10 and name HZ3 ) (resid 56 and name HD2# ) 4.0 2.2 1.5
assign (resid 10 and name HZ2 ) (resid 60 and name HB1 ) 4.0 2.2 1.0
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assign (resid 10 and name HZ2 ) (resid 66 and name HG2# ) 4.0 2.2 1.5
assign (resid 10 and name HE3 ) (resid 66 and name HG2# ) 4.0 2.2 2.5
assign (resid 10 and name HZ2 ) (resid 66 and name HG1# ) 4.0 2.2 2.5
assign (resid 10 and name HE3 ) (resid 66 and name HG1# ) 4.0 2.2 1.5
assign (resid 11 and name HA ) (resid 11 and name HG* ) 3.0 1.2 0.8
assign (resid 11 and name HG* ) (resid 12 and name HA ) 4.0 2.2 1.5
assign (resid 11 and name HG* ) (resid 13 and name HA ) 4.0 2.2 2.5
assign (resid 11 and name HG* ) (resid 13 and name HB1 ) 4.0 2.2 1.5
assign (resid 11 and name HG* ) (resid 14 and name HA ) 4.0 2.2 2.5
assign (resid 11 and name HG* ) (resid 16 and name HG2# ) 2.5 0.7 1.2
assign (resid 11 and name HG* ) (resid 16 and name HB ) 4.0 2.2 1.5
assign (resid 11 and name HG* ) (resid 17 and name HA ) 4.0 2.2 1.5
assign (resid 11 and name HG* ) (resid 20 and name HB# ) 4.0 2.2 2.5
assign (resid 12 and name HA ) (resid 12 and name HG# ) 3.0 1.2 0.3
assign (resid 13 and name HA ) (resid 14 and name HB ) 4.0 2.2 2.0
assign (resid 13 and name HA ) (resid 14 and name HG2# ) 4.0 2.2 2.5
assign (resid 13 and name HB1 ) (resid 15 and name HB# ) 4.0 2.2 1.5
assign (resid 13 and name HA ) (resid 16 and name HB ) 4.0 2.2 2.0
assign (resid 13 and name HB2 ) (resid 16 and name HD1# ) 3.0 1.2 0.8
assign (resid 13 and name HB2 ) (resid 16 and name HG2# ) 4.0 2.2 1.5
assign (resid 13 and name HB1 ) (resid 16 and name HG2# ) 4.0 2.2 1.5
assign (resid 13 and name HB1 ) (resid 16 and name HD1# ) 3.0 1.2 0.8
assign (resid 13 and name HA ) (resid 16 and name HD1# ) 4.0 2.2 1.5
assign (resid 14 and name HG2# ) (resid 14 and name HA ) 2.5 0.7 0.7
assign (resid 14 and name HB ) (resid 15 and name HB# ) 4.0 2.2 1.5
assign (resid 14 and name HA ) (resid 15 and name HB# ) 4.0 2.2 2.5
assign (resid 14 and name HG2# ) (resid 15 and name HA ) 4.0 2.2 1.5
assign (resid 14 and name HG2# ) (resid 17 and name HD1# ) 4.0 2.2 2.0
assign (resid 14 and name HB ) (resid 17 and name HD1# ) 4.0 2.2 1.5
assign (resid 14 and name HA ) (resid 17 and name HB# ) 3.0 1.2 0.3
assign (resid 14 and name HG2# ) (resid 17 and name HB# ) 4.0 2.2 1.5
assign (resid 14 and name HG2# ) (resid 18 and name HB2 ) 4.0 2.2 1.5
assign (resid 14 and name HG2# ) (resid 18 and name HG# ) 4.0 2.2 1.5
assign (resid 15 and name HB# ) (resid 16 and name HG1# ) 4.0 2.2 1.5
assign (resid 15 and name HB# ) (resid 16 and name HA ) 4.0 2.2 1.5
assign (resid 15 and name HA ) (resid 18 and name HB2 ) 4.0 2.2 1.0
assign (resid 16 and name HG2# ) (resid 16 and name HA ) 2.5 0.7 0.7
assign (resid 16 and name HD1# ) (resid 16 and name HB ) 3.0 1.2 0.8
assign (resid 16 and name HG2# ) (resid 17 and name HA ) 4.0 2.2 1.5
assign (resid 16 and name HA ) (resid 19 and name HB2 ) 3.0 1.2 0.3
assign (resid 16 and name HA ) (resid 19 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HG2# ) (resid 20 and name HB# ) 4.0 2.2 2.5
assign (resid 16 and name HA ) (resid 111 and name HD1# ) 3.0 1.2 0.8
assign (resid 17 and name HA ) (resid 17 and name HD1# ) 4.0 2.2 1.5
assign (resid 17 and name HB# ) (resid 17 and name HD1# ) 3.0 1.2 0.8
assign (resid 17 and name HA ) (resid 17 and name HD2# ) 2.5 0.7 0.7
assign (resid 17 and name HB# ) (resid 17 and name HD2# ) 3.0 1.2 0.8
assign (resid 17 and name HD1# ) (resid 18 and name HG# ) 4.0 2.2 1.5
assign (resid 17 and name HA ) (resid 20 and name HB# ) 4.0 2.2 1.0
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assign (resid 18 and name HA ) (resid 21 and name HB1 ) 4.0 2.2 1.0
assign (resid 19 and name HA ) (resid 22 and name HB# ) 3.0 1.2 0.3
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assign (resid 19 and name HB2 ) (resid 111 and name HD1# ) 3.0 1.2 0.8
assign (resid 19 and name HB1 ) (resid 111 and name HD1# ) 3.0 1.2 0.8
assign (resid 19 and name HB2 ) (resid 111 and name HD2# ) 4.0 2.2 2.5
assign (resid 20 and name HA ) (resid 23 and name HB# ) 4.0 2.2 1.5
assign (resid 20 and name HB# ) (resid 24 and name HD1# ) 4.0 2.2 1.5
assign (resid 20 and name HA ) (resid 24 and name HD1# ) 4.0 2.2 1.5
assign (resid 20 and name HB# ) (resid 114 and name HD1# ) 4.0 2.2 1.5
assign (resid 20 and name HA ) (resid 114 and name HD1# ) 3.0 1.2 0.8
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assign (resid 21 and name HA ) (resid 24 and name HD1# ) 4.0 2.2 1.5
assign (resid 21 and name HA ) (resid 24 and name HB1 ) 4.0 2.2 2.0
assign (resid 21 and name HA ) (resid 24 and name HB2 ) 4.0 2.2 2.0
assign (resid 23 and name HB# ) (resid 24 and name HD1# ) 4.0 2.2 2.0
assign (resid 23 and name HB# ) (resid 24 and name HG ) 4.0 2.2 1.5
assign (resid 23 and name HB# ) (resid 24 and name HD2# ) 4.0 2.2 2.0
assign (resid 23 and name HB# ) (resid 112 and name HA ) 3.0 1.2 0.8
assign (resid 23 and name HB# ) (resid 112 and name HG# ) 4.0 2.2 1.5
assign (resid 23 and name HB# ) (resid 114 and name HD2# ) 4.0 2.2 2.0
assign (resid 23 and name HB# ) (resid 115 and name HD2 ) 3.0 1.2 0.8
assign (resid 23 and name HB# ) (resid 115 and name HD1 ) 3.0 1.2 0.8
assign (resid 24 and name HD2# ) (resid 24 and name HA ) 2.5 0.7 0.7
assign (resid 24 and name HD1# ) (resid 24 and name HA ) 4.0 2.2 1.5
assign (resid 24 and name HB1 ) (resid 24 and name HD2# ) 4.0 2.2 1.5
assign (resid 24 and name HA ) (resid 29 and name HD# ) 4.0 2.2 1.0
assign (resid 24 and name HA ) (resid 29 and name HE# ) 4.0 2.2 1.0
assign (resid 24 and name HD2# ) (resid 29 and name HD# ) 4.0 2.2 1.5
assign (resid 24 and name HD1# ) (resid 29 and name HD# ) 4.0 2.2 2.5
assign (resid 24 and name HD2# ) (resid 29 and name HE# ) 3.0 1.2 0.8
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assign (resid 24 and name HD1# ) (resid 80 and name HD1# ) 3.0 1.2 1.3
assign (resid 24 and name HD2# ) (resid 114 and name HD1# ) 4.0 2.2 2.0
assign (resid 24 and name HD1# ) (resid 114 and name HA ) 4.0 2.2 2.5
assign (resid 24 and name HD2# ) (resid 114 and name HA ) 4.0 2.2 1.5
assign (resid 24 and name HD2# ) (resid 114 and name HB# ) 4.0 2.2 1.5
assign (resid 24 and name HD2# ) (resid 115 and name HB1 ) 4.0 2.2 1.5
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assign (resid 24 and name HD2# ) (resid 115 and name HD1 ) 4.0 2.2 1.5
assign (resid 24 and name HD2# ) (resid 115 and name HA ) 3.0 1.2 0.8
assign (resid 24 and name HD2# ) (resid 118 and name HB ) 4.0 2.2 1.5
assign (resid 24 and name HD2# ) (resid 118 and name HG2# ) 4.0 2.2 2.0
assign (resid 25 and name HA ) (resid 26 and name HB# ) 4.0 2.2 2.5
assign (resid 26 and name HB# ) (resid 27 and name HA ) 4.0 2.2 1.5
assign (resid 26 and name HB# ) (resid 28 and name HB# ) 4.0 2.2 1.5
assign (resid 26 and name HB# ) (resid 28 and name HG# ) 3.0 1.2 0.8
assign (resid 26 and name HB# ) (resid 28 and name HD# ) 4.0 2.2 1.5
assign (resid 26 and name HB# ) (resid 29 and name HD# ) 3.0 1.2 0.8
assign (resid 26 and name HB# ) (resid 29 and name HA ) 4.0 2.2 2.5
assign (resid 26 and name HB# ) (resid 29 and name HE# ) 3.0 1.2 0.8
assign (resid 29 and name HB1 ) (resid 29 and name HD# ) 3.0 1.2 0.3
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assign (resid 29 and name HA ) (resid 29 and name HD# ) 3.0 1.2 0.3
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assign (resid 29 and name HE# ) (resid 29 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HD# ) (resid 31 and name HD* ) 4.0 2.2 1.5
assign (resid 29 and name HA ) (resid 31 and name HD* ) 4.0 2.2 1.5
assign (resid 29 and name HB1 ) (resid 31 and name HD* ) 4.0 2.2 1.5
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assign (resid 29 and name HE# ) (resid 31 and name HD* ) 4.0 2.2 2.5
assign (resid 29 and name HE# ) (resid 115 and name HB1 ) 4.0 2.2 1.0
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assign (resid 29 and name HE# ) (resid 115 and name HA ) 4.0 2.2 1.0
assign (resid 29 and name HE# ) (resid 118 and name HB ) 4.0 2.2 1.0
assign (resid 29 and name HD# ) (resid 118 and name HG1# ) 4.0 2.2 2.5
assign (resid 29 and name HE# ) (resid 118 and name HG2# ) 4.0 2.2 1.5
assign (resid 29 and name HE# ) (resid 118 and name HG1# ) 3.0 1.2 0.8
assign (resid 30 and name HA ) (resid 31 and name HD* ) 4.0 2.2 1.5
assign (resid 31 and name HA ) (resid 31 and name HD* ) 3.0 1.2 0.8
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assign (resid 31 and name HB1 ) (resid 31 and name HD* ) 3.0 1.2 0.8
assign (resid 32 and name HG# ) (resid 43 and name HE# ) 4.0 2.2 1.0
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assign (resid 37 and name HA# ) (resid 66 and name HG2# ) 3.0 1.2 0.8
assign (resid 37 and name HA# ) (resid 66 and name HG1# ) 4.0 2.2 1.5
assign (resid 38 and name HA ) (resid 41 and name HB2 ) 3.0 1.2 0.3
assign (resid 38 and name HA ) (resid 41 and name HB1 ) 4.0 2.2 1.0
assign (resid 38 and name HA ) (resid 66 and name HG1# ) 4.0 2.2 2.5
assign (resid 40 and name HD1# ) (resid 43 and name HD# ) 4.0 2.2 1.5
assign (resid 40 and name HA ) (resid 43 and name HD# ) 4.0 2.2 2.0
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assign (resid 40 and name HD1# ) (resid 43 and name HB1 ) 4.0 2.2 1.5
assign (resid 40 and name HA ) (resid 43 and name HB2 ) 4.0 2.2 1.0
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assign (resid 40 and name HD1# ) (resid 44 and name HB# ) 3.0 1.2 1.3
assign (resid 40 and name HD1# ) (resid 66 and name HG1# ) 4.0 2.2 2.0
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assign (resid 40 and name HG ) (resid 70 and name HD1# ) 4.0 2.2 1.5
assign (resid 41 and name HB2 ) (resid 41 and name HD1# ) 3.0 1.2 0.8
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assign (resid 41 and name HB1 ) (resid 41 and name HD2# ) 3.0 1.2 0.8
assign (resid 41 and name HD2# ) (resid 44 and name HB# ) 4.0 2.2 2.0
assign (resid 41 and name HA ) (resid 44 and name HB# ) 3.0 1.2 0.8
assign (resid 41 and name HG ) (resid 66 and name HG1# ) 3.0 1.2 0.8
assign (resid 41 and name HD1# ) (resid 66 and name HA ) 4.0 2.2 1.5
assign (resid 41 and name HD1# ) (resid 66 and name HG1# ) 4.0 2.2 2.0
assign (resid 41 and name HA ) (resid 66 and name HG1# ) 4.0 2.2 2.5
assign (resid 41 and name HB2 ) (resid 66 and name HG1# ) 4.0 2.2 2.5
assign (resid 41 and name HB1 ) (resid 66 and name HG1# ) 4.0 2.2 2.5
assign (resid 41 and name HD2# ) (resid 69 and name HG# ) 3.0 1.2 0.8
assign (resid 41 and name HD2# ) (resid 70 and name HD1# ) 4.0 2.2 2.0
assign (resid 42 and name HA ) (resid 45 and name HB2 ) 4.0 2.2 1.0
assign (resid 42 and name HA ) (resid 46 and name HG2# ) 4.0 2.2 1.5
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assign (resid 43 and name HB2 ) (resid 43 and name HD# ) 3.0 1.2 0.3
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assign (resid 43 and name HA ) (resid 43 and name HD# ) 3.0 1.2 0.3
assign (resid 43 and name HE# ) (resid 43 and name HA ) 4.0 2.2 2.0
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assign (resid 43 and name HE# ) (resid 44 and name HA ) 4.0 2.2 1.0
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assign (resid 43 and name HD# ) (resid 51 and name HG2# ) 4.0 2.2 2.5
assign (resid 43 and name HE# ) (resid 51 and name HG1# ) 4.0 2.2 1.0
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assign (resid 43 and name HE# ) (resid 51 and name HD1# ) 3.0 1.2 0.8
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assign (resid 44 and name HB# ) (resid 75 and name HG1# ) 2.5 0.7 1.2
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assign (resid 45 and name HA ) (resid 46 and name HG2# ) 4.0 2.2 1.5
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assign (resid 54 and name HA ) (resid 77 and name HG2# ) 4.0 2.2 1.5
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assign (resid 123 and name HA ) (resid 126 and name HB1 ) 4.0 2.2 1.0
assign (resid 125 and name HA ) (resid 125 and name HD# ) 4.0 2.2 1.0
assign (resid 125 and name HD# ) (resid 126 and name HD2# ) 4.0 2.2 1.5
assign (resid 125 and name HD# ) (resid 129 and name HB# ) 4.0 2.2 2.5
assign (resid 125 and name HD# ) (resid 131 and name HG* ) 4.0 2.2 1.5
assign (resid 126 and name HA ) (resid 126 and name HD1# ) 4.0 2.2 1.5
assign (resid 126 and name HB1 ) (resid 126 and name HD1# ) 3.0 1.2 0.8
assign (resid 126 and name HB2 ) (resid 126 and name HD1# ) 2.5 0.7 0.7
assign (resid 126 and name HA ) (resid 126 and name HD2# ) 2.5 0.7 0.7
assign (resid 126 and name HB1 ) (resid 126 and name HD2# ) 3.0 1.2 0.8
assign (resid 126 and name HB2 ) (resid 126 and name HD2# ) 3.0 1.2 0.8
assign (resid 126 and name HD2# ) (resid 129 and name HB# ) 4.0 2.2 2.0
assign (resid 126 and name HB2 ) (resid 129 and name HB# ) 4.0 2.2 2.5
assign (resid 126 and name HB1 ) (resid 129 and name HB# ) 4.0 2.2 2.5
assign (resid 126 and name HA ) (resid 129 and name HB# ) 3.0 1.2 0.8
assign (resid 128 and name HA ) (resid 128 and name HD2# ) 4.0 2.2 1.5
assign (resid 128 and name HA ) (resid 128 and name HD1# ) 2.5 0.7 0.7
assign (resid 128 and name HD2# ) (resid 131 and name HG* ) 4.0 2.2 2.5
assign (resid 128 and name HA ) (resid 131 and name HG* ) 4.0 2.2 1.5
assign (resid 129 and name HB# ) (resid 130 and name HD1 ) 4.0 2.2 1.5
assign (resid 129 and name HB# ) (resid 130 and name HG2 ) 4.0 2.2 2.5
assign (resid 129 and name HB# ) (resid 130 and name HG1 ) 4.0 2.2 2.5
assign (resid 129 and name HB# ) (resid 130 and name HA ) 3.0 1.2 0.8
assign (resid 129 and name HB# ) (resid 130 and name HB1 ) 4.0 2.2 1.5
assign (resid 129 and name HB# ) (resid 130 and name HB2 ) 4.0 2.2 2.5
assign (resid 129 and name HA ) (resid 131 and name HG* ) 4.0 2.2 1.5
assign (resid 129 and name HB# ) (resid 131 and name HG* ) 4.0 2.2 2.0
assign (resid 130 and name HA ) (resid 131 and name HG* ) 4.0 2.2 1.5
assign (resid 131 and name HA ) (resid 131 and name HG* ) 2.5 0.7 0.7
assign (resid 131 and name HG* ) (resid 132 and name HA ) 4.0 2.2 2.5
assign (resid 131 and name HG* ) (resid 133 and name HG2# ) 4.0 2.2 2.0
assign (resid 131 and name HG* ) (resid 133 and name HA ) 4.0 2.2 2.5
assign (resid 133 and name HA ) (resid 133 and name HG2# ) 2.5 0.7 0.7
! Dihedral restraints

!phi

assign (resid 6 and name c)  (resid 7 and name n)
       (resid 7 and name ca) (resid 7 and name c) 1.0 -110.000 46 2
assign (resid 7 and name c)  (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c) 1.0 -105.000 36 2
assign (resid 8 and name c)  (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 1.0 -121.000 46 2
assign (resid 9 and name c)  (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c) 1.0 -110.000 32 2
assign (resid 11 and name c)  (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 1.0 -97.000 48 2
assign (resid 14 and name c)  (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c) 1.0 -62.000 20 2
assign (resid 15 and name c)  (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c) 1.0 -67.000 24 2
assign (resid 16 and name c)  (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c) 1.0 -68.000 26 2
assign (resid 17 and name c)  (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c) 1.0 -66.000 18 2
assign (resid 18 and name c)  (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -66.000 26 2
assign (resid 19 and name c)  (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1.0 -66.000 20 2
assign (resid 20 and name c)  (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 1.0 -63.000 22 2
assign (resid 21 and name c)  (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c) 1.0 -69.000 36 2
assign (resid 26 and name c)  (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c) 1.0 -73.000 32 2
assign (resid 28 and name c)  (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c) 1.0 -113.000 42 2
assign (resid 30 and name c)  (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c) 1.0 -102.000 34 2
assign (resid 31 and name c)  (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1.0 -106.000 58 2
assign (resid 32 and name c)  (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c) 1.0 -102.000 50 2
assign (resid 35 and name c)  (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 1.0 -117.000 48 2
assign (resid 37 and name c)  (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 1.0 -64.000 20 2
assign (resid 38 and name c)  (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 1.0 -65.000 20 2
assign (resid 39 and name c)  (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 1.0 -64.000 24 2
assign (resid 40 and name c)  (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1.0 -67.000 24 2
assign (resid 41 and name c)  (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c) 1.0 -65.000 24 2
assign (resid 42 and name c)  (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c) 1.0 -67.000 20 2
assign (resid 43 and name c)  (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 1.0 -65.000 28 2
assign (resid 44 and name c)  (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 1.0 -78.000 46 2
assign (resid 45 and name c)  (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c) 1.0 -104.000 44 2
assign (resid 47 and name c)  (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 1.0 -68.000 26 2
assign (resid 50 and name c)  (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1.0 -102.000 80 2
assign (resid 53 and name c)  (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 1.0 -122.000 62 2
assign (resid 54 and name c)  (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 1.0 -111.000 30 2
assign (resid 56 and name c)  (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -101.000 74 2
assign (resid 62 and name c)  (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -70.000 24 2
assign (resid 63 and name c)  (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 1.0 -63.000 24 2
assign (resid 64 and name c)  (resid 65 and name n)
       (resid 65 and name ca) (resid 65 and name c) 1.0 -62.000 24 2
assign (resid 65 and name c)  (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c) 1.0 -69.000 26 2
assign (resid 66 and name c)  (resid 67 and name n)
       (resid 67 and name ca) (resid 67 and name c) 1.0 -67.000 18 2
assign (resid 67 and name c)  (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c) 1.0 -64.000 22 2
assign (resid 68 and name c)  (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c) 1.0 -65.000 26 2
assign (resid 69 and name c)  (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c) 1.0 -68.000 26 2
assign (resid 71 and name c)  (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c) 1.0 -66.000 26 2
assign (resid 72 and name c)  (resid 73 and name n)
       (resid 73 and name ca) (resid 73 and name c) 1.0 -95.000 34 2
assign (resid 74 and name c)  (resid 75 and name n)
       (resid 75 and name ca) (resid 75 and name c) 1.0 -87.000 42 2
assign (resid 78 and name c)  (resid 79 and name n)
       (resid 79 and name ca) (resid 79 and name c) 1.0 -129.000 36 2
assign (resid 80 and name c)  (resid 81 and name n)
       (resid 81 and name ca) (resid 81 and name c) 1.0 -108.000 36 2
assign (resid 101 and name c)  (resid 102 and name n)
       (resid 102 and name ca) (resid 102 and name c) 1.0 -110.000 68 2
assign (resid 103 and name c)  (resid 104 and name n)
       (resid 104 and name ca) (resid 104 and name c) 1.0 -110.000 52 2
assign (resid 104 and name c)  (resid 105 and name n)
       (resid 105 and name ca) (resid 105 and name c) 1.0 -111.000 28 2
assign (resid 105 and name c)  (resid 106 and name n)
       (resid 106 and name ca) (resid 106 and name c) 1.0 -114.000 56 2
assign (resid 108 and name c)  (resid 109 and name n)
       (resid 109 and name ca) (resid 109 and name c) 1.0 -92.000 46 2
assign (resid 112 and name c)  (resid 113 and name n)
       (resid 113 and name ca) (resid 113 and name c) 1.0 -71.000 28 2
assign (resid 114 and name c)  (resid 115 and name n)
       (resid 115 and name ca) (resid 115 and name c) 1.0 -61.000 24 2
assign (resid 115 and name c)  (resid 116 and name n)
       (resid 116 and name ca) (resid 116 and name c) 1.0 -66.000 32 2
assign (resid 116 and name c)  (resid 117 and name n)
       (resid 117 and name ca) (resid 117 and name c) 1.0 -64.000 22 2
assign (resid 117 and name c)  (resid 118 and name n)
       (resid 118 and name ca) (resid 118 and name c) 1.0 -68.000 26 2
assign (resid 118 and name c)  (resid 119 and name n)
       (resid 119 and name ca) (resid 119 and name c) 1.0 -64.000 18 2
assign (resid 119 and name c)  (resid 120 and name n)
       (resid 120 and name ca) (resid 120 and name c) 1.0 -66.000 30 2
assign (resid 120 and name c)  (resid 121 and name n)
       (resid 121 and name ca) (resid 121 and name c) 1.0 -64.000 26 2
assign (resid 123 and name c)  (resid 124 and name n)
       (resid 124 and name ca) (resid 124 and name c) 1.0 -65.000 16 2
assign (resid 124 and name c)  (resid 125 and name n)
       (resid 125 and name ca) (resid 125 and name c) 1.0 -68.000 26 2
assign (resid 125 and name c)  (resid 126 and name n)
       (resid 126 and name ca) (resid 126 and name c) 1.0 -63.000 28 2
assign (resid 127 and name c)  (resid 128 and name n)
       (resid 128 and name ca) (resid 128 and name c) 1.0 -100.000 34 2
assign (resid 130 and name c)  (resid 131 and name n) 
       (resid 131 and name ca) (resid 131 and name c) 1.0 -98.000 46 2 
assign (resid 99 and name c)  (resid 100 and name n)
       (resid 100 and name ca) (resid 100 and name c) 1.0 -70.53858762 30.0 2
assign (resid 100 and name c)  (resid 101 and name n)
       (resid 101 and name ca) (resid 101 and name c) 1.0 -58.77363386 30.0 2


!psi

assign (resid 131 and name c)  (resid 132 and name n)
       (resid 132 and name ca) (resid 132 and name c) 1.0 -93.000 50 2
assign (resid 7 and name n)  (resid 7 and name ca)
       (resid 7 and name c) (resid 8 and name n) 1.0 121.000 64 2
assign (resid 8 and name n)  (resid 8 and name ca)
       (resid 8 and name c) (resid 9 and name n) 1.0 127.000 32 2
assign (resid 9 and name n)  (resid 9 and name ca)
       (resid 9 and name c) (resid 10 and name n) 1.0 135.000 40 2
assign (resid 10 and name n)  (resid 10 and name ca)
       (resid 10 and name c) (resid 11 and name n) 1.0 127.000 40 2
assign (resid 15 and name n)  (resid 15 and name ca)
       (resid 15 and name c) (resid 16 and name n) 1.0 -41.000 30 2
assign (resid 16 and name n)  (resid 16 and name ca)
       (resid 16 and name c) (resid 17 and name n) 1.0 -40.000 14 2
assign (resid 17 and name n)  (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n) 1.0 -41.000 18 2
assign (resid 18 and name n)  (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n) 1.0 -39.000 18 2
assign (resid 19 and name n)  (resid 19 and name ca)
       (resid 19 and name c) (resid 20 and name n) 1.0 -40.000 22 2
assign (resid 20 and name n)  (resid 20 and name ca)
       (resid 20 and name c) (resid 21 and name n) 1.0 -42.000 20 2
assign (resid 21 and name n)  (resid 21 and name ca)
       (resid 21 and name c) (resid 22 and name n) 1.0 -42.000 26 2
assign (resid 22 and name n)  (resid 22 and name ca)
       (resid 22 and name c) (resid 23 and name n) 1.0 -31.000 36 2
assign (resid 27 and name n)  (resid 27 and name ca)
       (resid 27 and name c) (resid 28 and name n) 1.0 -24.000 44 2
assign (resid 29 and name n)  (resid 29 and name ca)
       (resid 29 and name c) (resid 30 and name n) 1.0 129.000 44 2
assign (resid 31 and name n)  (resid 31 and name ca)
       (resid 31 and name c) (resid 32 and name n) 1.0 126.000 26 2
assign (resid 32 and name n)  (resid 32 and name ca)
       (resid 32 and name c) (resid 33 and name n) 1.0 125.000 34 2
assign (resid 33 and name n)  (resid 33 and name ca)
       (resid 33 and name c) (resid 34 and name n) 1.0 119.000 60 2
assign (resid 36 and name n)  (resid 36 and name ca)
       (resid 36 and name c) (resid 37 and name n) 1.0 156.000 36 2
assign (resid 38 and name n)  (resid 38 and name ca)
       (resid 38 and name c) (resid 39 and name n) 1.0 -41.000 28 2
assign (resid 39 and name n)  (resid 39 and name ca)
       (resid 39 and name c) (resid 40 and name n) 1.0 -42.000 30 2
assign (resid 40 and name n)  (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n) 1.0 -39.000 20 2
assign (resid 41 and name n)  (resid 41 and name ca)
       (resid 41 and name c) (resid 42 and name n) 1.0 -43.000 24 2
assign (resid 42 and name n)  (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n) 1.0 -40.000 14 2
assign (resid 43 and name n)  (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n) 1.0 -40.000 26 2
assign (resid 44 and name n)  (resid 44 and name ca)
       (resid 44 and name c) (resid 45 and name n) 1.0 -40.000 26 2
assign (resid 45 and name n)  (resid 45 and name ca)
       (resid 45 and name c) (resid 46 and name n) 1.0 -24.000 38 2
assign (resid 46 and name n)  (resid 46 and name ca)
       (resid 46 and name c) (resid 47 and name n) 1.0 -6.000 38 2
assign (resid 48 and name n)  (resid 48 and name ca)
       (resid 48 and name c) (resid 49 and name n) 1.0 -23.000 32 2
assign (resid 51 and name n)  (resid 51 and name ca)
       (resid 51 and name c) (resid 52 and name n) 1.0 134.000 34 2
assign (resid 54 and name n)  (resid 54 and name ca)
       (resid 54 and name c) (resid 55 and name n) 1.0 131.000 30 2
assign (resid 55 and name n)  (resid 55 and name ca)
       (resid 55 and name c) (resid 56 and name n) 1.0 131.000 42 2
assign (resid 57 and name n)  (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1.0 121.000 52 2
assign (resid 63 and name n)  (resid 63 and name ca)
       (resid 63 and name c) (resid 64 and name n) 1.0 -40.000 22 2
assign (resid 64 and name n)  (resid 64 and name ca)
       (resid 64 and name c) (resid 65 and name n) 1.0 -41.000 24 2
assign (resid 65 and name n)  (resid 65 and name ca)
       (resid 65 and name c) (resid 66 and name n) 1.0 -40.000 20 2
assign (resid 66 and name n)  (resid 66 and name ca)
       (resid 66 and name c) (resid 67 and name n) 1.0 -41.000 20 2
assign (resid 67 and name n)  (resid 67 and name ca)
       (resid 67 and name c) (resid 68 and name n) 1.0 -41.000 28 2
assign (resid 68 and name n)  (resid 68 and name ca)
       (resid 68 and name c) (resid 69 and name n) 1.0 -39.000 20 2
assign (resid 69 and name n)  (resid 69 and name ca)
       (resid 69 and name c) (resid 70 and name n) 1.0 -40.000 18 2
assign (resid 70 and name n)  (resid 70 and name ca)
       (resid 70 and name c) (resid 71 and name n) 1.0 -38.000 28 2
assign (resid 72 and name n)  (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n) 1.0 -38.000 28 2
assign (resid 73 and name n)  (resid 73 and name ca)
       (resid 73 and name c) (resid 74 and name n) 1.0 0.000 36 2
assign (resid 75 and name n)  (resid 75 and name ca)
       (resid 75 and name c) (resid 76 and name n) 1.0 129.000 44 2
assign (resid 79 and name n)  (resid 79 and name ca)
       (resid 79 and name c) (resid 80 and name n) 1.0 147.000 42 2
assign (resid 81 and name n)  (resid 81 and name ca)
       (resid 81 and name c) (resid 82 and name n) 1.0 124.000 28 2
assign (resid 104 and name n)  (resid 104 and name ca)
       (resid 104 and name c) (resid 105 and name n) 1.0 137.000 50 2
assign (resid 105 and name n)  (resid 105 and name ca)
       (resid 105 and name c) (resid 106 and name n) 1.0 126.000 40 2
assign (resid 106 and name n)  (resid 106 and name ca)
       (resid 106 and name c) (resid 107 and name n) 1.0 146.000 42 2
assign (resid 109 and name n)  (resid 109 and name ca)
       (resid 109 and name c) (resid 110 and name n) 1.0 -24.000 52 2
assign (resid 113 and name n)  (resid 113 and name ca)
       (resid 113 and name c) (resid 114 and name n) 1.0 -33.000 34 2
assign (resid 115 and name n)  (resid 115 and name ca)
       (resid 115 and name c) (resid 116 and name n) 1.0 -39.000 24 2
assign (resid 116 and name n)  (resid 116 and name ca)
       (resid 116 and name c) (resid 117 and name n) 1.0 -39.000 20 2
assign (resid 117 and name n)  (resid 117 and name ca)
       (resid 117 and name c) (resid 118 and name n) 1.0 -40.000 22 2
assign (resid 118 and name n)  (resid 118 and name ca)
       (resid 118 and name c) (resid 119 and name n) 1.0 -42.000 22 2
assign (resid 119 and name n)  (resid 119 and name ca)
       (resid 119 and name c) (resid 120 and name n) 1.0 -36.000 22 2
assign (resid 120 and name n)  (resid 120 and name ca)
       (resid 120 and name c) (resid 121 and name n) 1.0 -43.000 26 2
assign (resid 121 and name n)  (resid 121 and name ca)
       (resid 121 and name c) (resid 122 and name n) 1.0 -40.000 26 2
assign (resid 124 and name n)  (resid 124 and name ca)
       (resid 124 and name c) (resid 125 and name n) 1.0 -40.000 28 2
assign (resid 125 and name n)  (resid 125 and name ca)
       (resid 125 and name c) (resid 126 and name n) 1.0 -42.000 20 2
assign (resid 126 and name n)  (resid 126 and name ca)
       (resid 126 and name c) (resid 127 and name n) 1.0 -38.000 30 2
assign (resid 128 and name n)  (resid 128 and name ca)
       (resid 128 and name c) (resid 129 and name n) 1.0 2.000 32 2
assign (resid 131 and name n)  (resid 131 and name ca)
       (resid 131 and name c) (resid 132 and name n) 1.0 120.000 50 2
assign (resid 132 and name n)  (resid 132 and name ca)
       (resid 132 and name c) (resid 133 and name n) 1.0 137.000 44 2


!chi1

assign (resid 5 and name n) (resid 5 and name ca)
       (resid 5 and name cb) (resid 5 and name cg1) 1.0 -60.0 30 2
assign (resid 7 and name n) (resid 7 and name ca)
       (resid 7 and name cb) (resid 7 and name cg1) 1.0 -60.0 30 2 
assign (resid 9 and name n) (resid 9 and name ca)
       (resid 9 and name cb) (resid 9 and name cg1) 1.0 180.0 30 2
assign (resid 10 and name n) (resid 10 and name ca)
       (resid 10 and name cb) (resid 10 and name cg) 1.0 180.0 30 2
assign (resid 12 and name n) (resid 12 and name ca)
       (resid 12 and name cb) (resid 12 and name cg) 1.0 -60.0 30 2
assign (resid 13 and name n) (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name og) 1.0 180.0 30 2
assign (resid 16 and name n) (resid 16 and name ca)  
       (resid 16 and name cb) (resid 16 and name cg1) 1.0 -60.0 30 2
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name cb) (resid 18 and name cg) 1.0 -60.0 30 2
assign (resid 19 and name n) (resid 19 and name ca)
       (resid 19 and name cb) (resid 19 and name cg) 1.0 -60.0 30 2
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name cg) 1.0 -60.0 30 2
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg) 1.0 -60.0 30 2
assign (resid 29 and name n) (resid 29 and name ca)
       (resid 29 and name cb) (resid 29 and name cg) 1.0 -60.0 40 2 
assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name cg) 1.0 -60.0 30 2
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name cg1) 1.0 180 30 2
assign (resid 34 and name n) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name sg) 1.0 -60.0 30 2
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg) 1.0 -60.0 30 2
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name cg) 1.0 -60.0 30 2
assign (resid 39 and name n) (resid 39 and name ca)
       (resid 39 and name cb) (resid 39 and name cg) 1.0 -60.0 30 2
assign (resid 41 and name n) (resid 41 and name ca)
       (resid 41 and name cb) (resid 41 and name cg) 1.0 -60.0 30 2
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name cb) (resid 43 and name cg) 1.0 180.0 30 2
assign (resid 45 and name n) (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name cg) 1.0 -60.0 30 2
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name cb) (resid 46 and name og1) 1.0 60.0 30 2 
assign (resid 48 and name n) (resid 48 and name ca)
       (resid 48 and name cb) (resid 48 and name cg) 1.0 -60.0 30 2
assign (resid 50 and name n) (resid 50 and name ca)
       (resid 50 and name cb) (resid 50 and name cg) 1.0 -60.0 30 2
assign (resid 51 and name n) (resid 51 and name ca)  
       (resid 51 and name cb) (resid 51 and name cg1) 1.0 -60.0 30 2
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name cb) (resid 52 and name cg) 1.0 -60.0 30 2
assign (resid 55 and name n) (resid 55 and name ca)  
       (resid 55 and name cb) (resid 55 and name cg1) 1.0 -60.0 30 2
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name cb) (resid 57 and name cg1) 1.0 180 30 2
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name cg) 1.0 -60.0 30 2
assign (resid 63 and name n) (resid 63 and name ca)
       (resid 63 and name cb) (resid 63 and name cg) 1.0 180.0 30 2
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg1) 1.0 180 30 2
assign (resid 67 and name n) (resid 67 and name ca) 
       (resid 67 and name cb) (resid 67 and name cg1) 1.0 180 30 2 
assign (resid 70 and name n) (resid 70 and name ca)
       (resid 70 and name cb) (resid 70 and name cg) 1.0 -60.0 30 2
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name cb) (resid 71 and name sg) 1.0 -60.0 30 2
assign (resid 75 and name n) (resid 75 and name ca)
       (resid 75 and name cb) (resid 75 and name cg1) 1.0 180 30 2
assign (resid 76 and name n) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name cg1) 1.0 180 30 2
assign (resid 77 and name n) (resid 77 and name ca)
       (resid 77 and name cb) (resid 77 and name cg1) 1.0 -60 30 2 
assign (resid 81 and name n) (resid 81 and name ca)
       (resid 81 and name cb) (resid 81 and name cg1) 1.0 180 30 2 
assign (resid 82 and name n) (resid 82 and name ca)
       (resid 82 and name cb) (resid 82 and name cg1) 1.0 180 30 2
assign (resid 88 and name n) (resid 88 and name ca)
       (resid 88 and name cb) (resid 88 and name cg) 1.0 60.0 30 2
assign (resid 91 and name n) (resid 91 and name ca)
       (resid 91 and name cb) (resid 91 and name cg) 1.0 -60.0 30 2
assign (resid 92 and name n) (resid 92 and name ca)
       (resid 92 and name cb) (resid 92 and name cg) 1.0 -60.0 30 2
assign (resid 98 and name n) (resid 98 and name ca)
       (resid 98 and name cb) (resid 98 and name cg) 1.0 -60.0 30 2
assign (resid 99 and name n) (resid 99 and name ca)
       (resid 99 and name cb) (resid 99 and name cg) 1.0 180.0 30 2
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name cb) (resid 100 and name cg) 1.0 60.0 30 2
assign (resid 106 and name n) (resid 106 and name ca)
       (resid 106 and name cb) (resid 106 and name cg) 1.0 180.0 30 2
assign (resid 108 and name n) (resid 108 and name ca)  
       (resid 108 and name cb) (resid 108 and name cg1) 1.0 -60.0 30 2 
assign (resid 111 and name n) (resid 111 and name ca)
       (resid 111 and name cb) (resid 111 and name cg) 1.0 -60.0 30 2
assign (resid 113 and name n) (resid 113 and name ca)
       (resid 113 and name cb) (resid 113 and name cg) 1.0 -60.0 30 2
assign (resid 117 and name n) (resid 117 and name ca)
       (resid 117 and name cb) (resid 117 and name cg) 1.0 -60.0 30 2
assign (resid 118 and name n) (resid 118 and name ca)
       (resid 118 and name cb) (resid 118 and name cg1) 1.0 180 30 2
assign (resid 119 and name n) (resid 119 and name ca)
       (resid 119 and name cb) (resid 119 and name cg) 1.0 -60.0 30 2
assign (resid 124 and name n) (resid 124 and name ca)
       (resid 124 and name cb) (resid 124 and name cg) 1.0 180.0 30 2
assign (resid 126 and name n) (resid 126 and name ca)
       (resid 126 and name cb) (resid 126 and name cg) 1.0 -60.0 30 2
assign (resid 133 and name n) (resid 133 and name ca)
       (resid 133 and name cb) (resid 133 and name og1) 1.0 60.0 30 2 
assign (resid 134 and name n) (resid 134 and name ca)
       (resid 134 and name cb) (resid 134 and name cg) 1.0 -60.0 30 2


!chi2

assign (resid 24 and name ca) (resid 24 and name cb)
       (resid 24 and name cg) (resid 24 and name cd1) 1.0 180.0 30 2





  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1  19.632   2.736  12.887
    2   2H    MET   1          HT2       MET   1  20.519   3.219  11.520
    3   3H    MET   1          HT3       MET   1  21.252   2.265  12.718
    4    HA   MET   1           HA       MET   1  20.766   0.784  10.958
    5   1HB   MET   1          HB2       MET   1  20.191   0.219  13.371
    6   2HB   MET   1          HB1       MET   1  18.518   0.621  12.990
    7   1HG   MET   1          HG2       MET   1  18.692  -1.741  12.699
    8   2HG   MET   1          HG1       MET   1  18.696  -1.064  11.070
    9   1HE   MET   1          HE1       MET   1  19.903  -1.354   9.557
   10   2HE   MET   1          HE2       MET   1  20.623  -2.961   9.548
   11   3HE   MET   1          HE3       MET   1  21.660  -1.539   9.457
   12    H    LEU   2           HN       LEU   2  18.126   3.017  11.682
   13    HA   LEU   2           HA       LEU   2  16.136   2.135   9.899
   14   1HB   LEU   2          HB2       LEU   2  15.941   3.988  11.527
   15   2HB   LEU   2          HB1       LEU   2  17.050   4.953  10.553
   16    HG   LEU   2           HG       LEU   2  15.453   4.754   8.632
   17   1HD1  LEU   2          HD11      LEU   2  13.121   4.027   9.226
   18   2HD1  LEU   2          HD12      LEU   2  13.743   3.460  10.775
   19   3HD1  LEU   2          HD13      LEU   2  14.301   2.716   9.276
   20   1HD2  LEU   2          HD21      LEU   2  15.371   6.771   9.966
   21   2HD2  LEU   2          HD22      LEU   2  14.446   5.956  11.227
   22   3HD2  LEU   2          HD23      LEU   2  13.708   6.272   9.657
   23    H    SER   3           HN       SER   3  19.008   4.122   9.247
   24    HA   SER   3           HA       SER   3  19.936   4.868   7.198
   25   1HB   SER   3          HB2       SER   3  19.045   2.018   6.870
   26   2HB   SER   3          HB1       SER   3  19.767   2.859   5.501
   27    HG   SER   3           HG       SER   3  20.957   2.878   8.063
   28    H    GLN   4           HN       GLN   4  17.678   2.882   5.415
   29    HA   GLN   4           HA       GLN   4  16.100   5.323   4.693
   30   1HB   GLN   4          HB2       GLN   4  17.372   3.259   2.868
   31   2HB   GLN   4          HB1       GLN   4  16.246   4.502   2.321
   32   1HG   GLN   4          HG2       GLN   4  17.782   6.243   3.240
   33   2HG   GLN   4          HG1       GLN   4  18.932   4.969   3.647
   34   1HE2  GLN   4          HE21      GLN   4  18.926   7.265   1.527
   35   2HE2  GLN   4          HE22      GLN   4  19.370   6.473   0.094
   36    H    ILE   5           HN       ILE   5  14.022   4.714   3.588
   37    HA   ILE   5           HA       ILE   5  12.916   2.203   4.785
   38    HB   ILE   5           HB       ILE   5  11.614   4.747   3.756
   39   1HG1  ILE   5          HG12      ILE   5  11.973   3.803   6.616
   40   2HG1  ILE   5          HG11      ILE   5  13.057   4.953   5.832
   41   1HG2  ILE   5          HG21      ILE   5  10.296   2.527   3.743
   42   2HG2  ILE   5          HG22      ILE   5   9.565   3.897   4.582
   43   3HG2  ILE   5          HG23      ILE   5  10.368   2.623   5.502
   44   1HD1  ILE   5          HD11      ILE   5  10.104   5.291   6.394
   45   2HD1  ILE   5          HD12      ILE   5  10.997   6.355   5.308
   46   3HD1  ILE   5          HD13      ILE   5  11.437   6.264   7.013
   47    H    ALA   6           HN       ALA   6  12.191   0.596   3.370
   48    HA   ALA   6           HA       ALA   6  12.407   1.160   0.462
   49   1HB   ALA   6          HB1       ALA   6  12.299  -1.305   0.313
   50   2HB   ALA   6          HB2       ALA   6  11.972  -1.394   2.045
   51   3HB   ALA   6          HB3       ALA   6  13.530  -0.798   1.470
   52    H    ILE   7           HN       ILE   7  10.586   1.637  -0.660
   53    HA   ILE   7           HA       ILE   7   7.975   0.567   0.348
   54    HB   ILE   7           HB       ILE   7   8.644   3.302  -0.784
   55   1HG1  ILE   7          HG12      ILE   7   7.826   2.384   1.991
   56   2HG1  ILE   7          HG11      ILE   7   9.407   3.019   1.525
   57   1HG2  ILE   7          HG21      ILE   7   6.061   3.057   0.493
   58   2HG2  ILE   7          HG22      ILE   7   6.201   1.891  -0.824
   59   3HG2  ILE   7          HG23      ILE   7   6.442   3.611  -1.136
   60   1HD1  ILE   7          HD11      ILE   7   7.934   4.737   2.599
   61   2HD1  ILE   7          HD12      ILE   7   6.808   4.551   1.255
   62   3HD1  ILE   7          HD13      ILE   7   8.434   5.171   0.964
   63    H    CYS   8           HN       CYS   8   6.860  -0.525  -1.220
   64    HA   CYS   8           HA       CYS   8   7.712  -0.139  -4.073
   65   1HB   CYS   8          HB2       CYS   8   8.157  -2.326  -2.731
   66   2HB   CYS   8          HB1       CYS   8   6.422  -2.600  -2.891
   67    HG   CYS   8           HG       CYS   8   6.890  -3.419  -5.174
   68    H    ILE   9           HN       ILE   9   6.113   0.961  -5.153
   69    HA   ILE   9           HA       ILE   9   3.295   0.697  -4.203
   70    HB   ILE   9           HB       ILE   9   4.261   2.930  -4.393
   71   1HG1  ILE   9          HG12      ILE   9   2.450   2.459  -6.785
   72   2HG1  ILE   9          HG11      ILE   9   1.864   2.549  -5.123
   73   1HG2  ILE   9          HG21      ILE   9   4.676   3.419  -7.056
   74   2HG2  ILE   9          HG22      ILE   9   5.253   1.757  -6.911
   75   3HG2  ILE   9          HG23      ILE   9   5.953   3.028  -5.907
   76   1HD1  ILE   9          HD11      ILE   9   3.034   4.711  -6.842
   77   2HD1  ILE   9          HD12      ILE   9   3.237   4.807  -5.093
   78   3HD1  ILE   9          HD13      ILE   9   1.619   4.766  -5.793
   79    H    TRP  10           HN       TRP  10   1.638   0.146  -5.645
   80    HA   TRP  10           HA       TRP  10   2.536  -1.001  -8.272
   81   1HB   TRP  10          HB2       TRP  10   1.753  -2.770  -6.818
   82   2HB   TRP  10          HB1       TRP  10   0.327  -1.831  -6.362
   83    HD1  TRP  10           HD1      TRP  10   1.394  -1.694  -9.965
   84    HE1  TRP  10           HE1      TRP  10  -0.311  -2.955 -11.431
   85    HE3  TRP  10           HE3      TRP  10  -1.395  -3.937  -6.326
   86    HZ2  TRP  10           HZ2      TRP  10  -2.551  -4.701 -11.099
   87    HZ3  TRP  10           HZ3      TRP  10  -3.307  -5.393  -6.928
   88    HH2  TRP  10           HH2      TRP  10  -3.889  -5.777  -9.307
   89    H    VAL  11           HN       VAL  11   1.941   0.487  -9.800
   90    HA   VAL  11           HA       VAL  11  -0.878   1.369  -9.864
   91    HB   VAL  11           HB       VAL  11   0.051   3.033  -8.442
   92   1HG1  VAL  11          HG11      VAL  11   2.408   2.393  -8.776
   93   2HG1  VAL  11          HG12      VAL  11   2.194   4.139  -8.901
   94   3HG1  VAL  11          HG13      VAL  11   2.392   3.169 -10.360
   95   1HG2  VAL  11          HG21      VAL  11   0.242   4.068 -11.288
   96   2HG2  VAL  11          HG22      VAL  11   0.077   5.069  -9.845
   97   3HG2  VAL  11          HG23      VAL  11  -1.230   3.983 -10.320
   98    H    GLU  12           HN       GLU  12  -1.520   1.347 -11.952
   99    HA   GLU  12           HA       GLU  12   0.448   0.958 -14.101
  100   1HB   GLU  12          HB2       GLU  12  -2.554   0.930 -13.808
  101   2HB   GLU  12          HB1       GLU  12  -1.799   0.813 -15.398
  102   1HG   GLU  12          HG2       GLU  12  -0.439  -1.121 -14.508
  103   2HG   GLU  12          HG1       GLU  12  -1.422  -1.058 -13.044
  104    H    SER  13           HN       SER  13  -0.992   3.634 -12.618
  105    HA   SER  13           HA       SER  13  -0.866   5.292 -15.108
  106   1HB   SER  13          HB2       SER  13  -2.933   5.213 -13.646
  107   2HB   SER  13          HB1       SER  13  -1.976   5.933 -12.355
  108    HG   SER  13           HG       SER  13  -3.269   7.297 -13.986
  109    H    THR  14           HN       THR  14   1.072   6.374 -15.352
  110    HA   THR  14           HA       THR  14   3.118   6.528 -13.391
  111    HB   THR  14           HB       THR  14   2.699   8.606 -15.532
  112    HG1  THR  14           HG1      THR  14   3.460   7.045 -17.009
  113   1HG2  THR  14          HG21      THR  14   4.891   7.544 -13.935
  114   2HG2  THR  14          HG22      THR  14   4.825   9.017 -14.904
  115   3HG2  THR  14          HG23      THR  14   5.248   7.481 -15.661
  116    H    ALA  15           HN       ALA  15   0.625   8.942 -14.291
  117    HA   ALA  15           HA       ALA  15   1.401  11.059 -12.607
  118   1HB   ALA  15          HB1       ALA  15  -1.107  11.513 -12.592
  119   2HB   ALA  15          HB2       ALA  15  -1.316   9.957 -13.395
  120   3HB   ALA  15          HB3       ALA  15  -0.419  11.248 -14.194
  121    H    ILE  16           HN       ILE  16  -0.737   8.295 -11.840
  122    HA   ILE  16           HA       ILE  16  -1.104   8.898  -9.063
  123    HB   ILE  16           HB       ILE  16  -1.144   6.371 -10.735
  124   1HG1  ILE  16          HG12      ILE  16  -3.427   7.900  -9.463
  125   2HG1  ILE  16          HG11      ILE  16  -2.841   8.242 -11.091
  126   1HG2  ILE  16          HG21      ILE  16  -2.182   6.685  -7.908
  127   2HG2  ILE  16          HG22      ILE  16  -0.643   5.919  -8.303
  128   3HG2  ILE  16          HG23      ILE  16  -2.153   5.212  -8.878
  129   1HD1  ILE  16          HD11      ILE  16  -4.621   6.156 -10.238
  130   2HD1  ILE  16          HD12      ILE  16  -3.158   5.425 -10.899
  131   3HD1  ILE  16          HD13      ILE  16  -4.099   6.554 -11.876
  132    H    LEU  17           HN       LEU  17   1.279   6.922 -10.813
  133    HA   LEU  17           HA       LEU  17   2.697   5.913  -8.547
  134   1HB   LEU  17          HB2       LEU  17   3.120   4.870 -10.599
  135   2HB   LEU  17          HB1       LEU  17   3.208   6.398 -11.470
  136    HG   LEU  17           HG       LEU  17   5.411   5.086 -11.046
  137   1HD1  LEU  17          HD11      LEU  17   6.517   7.061 -11.383
  138   2HD1  LEU  17          HD12      LEU  17   5.699   7.869 -10.045
  139   3HD1  LEU  17          HD13      LEU  17   4.872   7.671 -11.590
  140   1HD2  LEU  17          HD21      LEU  17   6.167   4.862  -8.929
  141   2HD2  LEU  17          HD22      LEU  17   4.546   5.315  -8.403
  142   3HD2  LEU  17          HD23      LEU  17   5.801   6.545  -8.545
  143    H    GLN  18           HN       GLN  18   3.241   8.823 -10.575
  144    HA   GLN  18           HA       GLN  18   5.517   9.772  -9.092
  145   1HB   GLN  18          HB2       GLN  18   3.429  11.199 -10.776
  146   2HB   GLN  18          HB1       GLN  18   4.982  11.885 -10.302
  147   1HG   GLN  18          HG2       GLN  18   6.135  10.009 -11.464
  148   2HG   GLN  18          HG1       GLN  18   4.564   9.407 -11.997
  149   1HE2  GLN  18          HE21      GLN  18   6.826  10.497 -13.669
  150   2HE2  GLN  18          HE22      GLN  18   6.154  11.787 -14.544
  151    H    ASP  19           HN       ASP  19   2.017  10.427  -8.840
  152    HA   ASP  19           HA       ASP  19   2.183  12.441  -6.811
  153   1HB   ASP  19          HB2       ASP  19   0.087  10.385  -7.574
  154   2HB   ASP  19          HB1       ASP  19  -0.213  11.691  -6.426
  155    H    CYS  20           HN       CYS  20   1.729   8.896  -6.599
  156    HA   CYS  20           HA       CYS  20   1.609   8.731  -3.746
  157   1HB   CYS  20          HB2       CYS  20   2.514   6.835  -5.932
  158   2HB   CYS  20          HB1       CYS  20   2.317   6.341  -4.250
  159    HG   CYS  20           HG       CYS  20   0.038   5.885  -5.420
  160    H    GLN  21           HN       GLN  21   4.360   8.439  -6.019
  161    HA   GLN  21           HA       GLN  21   6.328   8.059  -3.924
  162   1HB   GLN  21          HB2       GLN  21   6.428   8.868  -6.844
  163   2HB   GLN  21          HB1       GLN  21   7.874   8.571  -5.878
  164   1HG   GLN  21          HG2       GLN  21   6.815   6.301  -5.294
  165   2HG   GLN  21          HG1       GLN  21   5.696   6.616  -6.621
  166   1HE2  GLN  21          HE21      GLN  21   8.156   8.178  -7.878
  167   2HE2  GLN  21          HE22      GLN  21   9.039   6.928  -8.613
  168    H    ARG  22           HN       ARG  22   5.025  10.855  -5.672
  169    HA   ARG  22           HA       ARG  22   6.863  12.867  -5.001
  170   1HB   ARG  22          HB2       ARG  22   4.019  12.587  -5.667
  171   2HB   ARG  22          HB1       ARG  22   4.348  14.011  -4.679
  172   1HG   ARG  22          HG2       ARG  22   5.866  14.901  -6.263
  173   2HG   ARG  22          HG1       ARG  22   6.026  13.356  -7.101
  174   1HD   ARG  22          HD2       ARG  22   3.846  13.525  -8.055
  175   2HD   ARG  22          HD1       ARG  22   3.388  14.839  -6.953
  176    HE   ARG  22           HE       ARG  22   4.528  16.339  -8.374
  177   1HH1  ARG  22          HH11      ARG  22   5.551  13.081  -8.872
  178   2HH1  ARG  22          HH12      ARG  22   6.592  13.474 -10.201
  179   1HH2  ARG  22          HH21      ARG  22   5.874  16.863 -10.108
  180   2HH2  ARG  22          HH22      ARG  22   6.774  15.613 -10.900
  181    H    ALA  23           HN       ALA  23   4.017  11.831  -3.094
  182    HA   ALA  23           HA       ALA  23   4.561  13.423  -0.787
  183   1HB   ALA  23          HB1       ALA  23   2.453  12.171  -1.422
  184   2HB   ALA  23          HB2       ALA  23   2.950  11.914   0.251
  185   3HB   ALA  23          HB3       ALA  23   3.270  10.676  -0.964
  186    H    LEU  24           HN       LEU  24   5.374  10.020  -1.546
  187    HA   LEU  24           HA       LEU  24   7.154   9.795   0.788
  188   1HB   LEU  24          HB2       LEU  24   6.499   7.998  -1.575
  189   2HB   LEU  24          HB1       LEU  24   7.359   7.491  -0.118
  190    HG   LEU  24           HG       LEU  24   4.554   8.637  -0.180
  191   1HD1  LEU  24          HD11      LEU  24   5.629   5.890  -0.328
  192   2HD1  LEU  24          HD12      LEU  24   4.054   6.513  -0.819
  193   3HD1  LEU  24          HD13      LEU  24   4.360   6.130   0.875
  194   1HD2  LEU  24          HD21      LEU  24   4.735   7.615   2.243
  195   2HD2  LEU  24          HD22      LEU  24   5.379   9.223   1.910
  196   3HD2  LEU  24          HD23      LEU  24   6.466   7.835   1.981
  197    H    SER  25           HN       SER  25   8.355  11.792  -0.329
  198    HA   SER  25           HA       SER  25  10.339  10.801  -2.338
  199   1HB   SER  25          HB2       SER  25   9.196  13.492  -1.595
  200   2HB   SER  25          HB1       SER  25  10.681  13.370  -2.534
  201    HG   SER  25           HG       SER  25   9.512  12.095  -4.038
  202    H    ALA  26           HN       ALA  26  10.012  11.408   0.948
  203    HA   ALA  26           HA       ALA  26  12.116  12.781   1.989
  204   1HB   ALA  26          HB1       ALA  26  11.821  11.399   3.830
  205   2HB   ALA  26          HB2       ALA  26  11.856   9.929   2.859
  206   3HB   ALA  26          HB3       ALA  26  10.400  10.922   2.898
  207    H    ASP  27           HN       ASP  27  14.370  12.604   2.089
  208    HA   ASP  27           HA       ASP  27  15.814  11.343   0.002
  209   1HB   ASP  27          HB2       ASP  27  16.490  12.420   2.739
  210   2HB   ASP  27          HB1       ASP  27  17.745  11.766   1.688
  211    H    ARG  28           HN       ARG  28  14.445   9.938   2.822
  212    HA   ARG  28           HA       ARG  28  16.331   7.621   2.725
  213   1HB   ARG  28          HB2       ARG  28  15.463   7.153   4.941
  214   2HB   ARG  28          HB1       ARG  28  15.823   8.879   4.857
  215   1HG   ARG  28          HG2       ARG  28  13.396   9.243   4.206
  216   2HG   ARG  28          HG1       ARG  28  13.114   7.551   4.613
  217   1HD   ARG  28          HD2       ARG  28  13.936   7.971   6.920
  218   2HD   ARG  28          HD1       ARG  28  14.171   9.683   6.508
  219    HE   ARG  28           HE       ARG  28  11.563   9.162   5.720
  220   1HH1  ARG  28          HH11      ARG  28  13.410   8.818   8.617
  221   2HH1  ARG  28          HH12      ARG  28  12.045   9.026   9.664
  222   1HH2  ARG  28          HH21      ARG  28   9.780   9.434   7.072
  223   2HH2  ARG  28          HH22      ARG  28   9.993   9.375   8.790
  224    H    TYR  29           HN       TYR  29  13.885   8.283   0.864
  225    HA   TYR  29           HA       TYR  29  12.296   5.818   1.431
  226   1HB   TYR  29          HB2       TYR  29  11.817   8.455   0.125
  227   2HB   TYR  29          HB1       TYR  29  10.912   7.071  -0.490
  228    HD1  TYR  29           HD1      TYR  29  10.574   5.438   1.940
  229    HD2  TYR  29           HD2      TYR  29  10.256   9.682   1.384
  230    HE1  TYR  29           HE1      TYR  29   9.068   5.577   3.897
  231    HE2  TYR  29           HE2      TYR  29   8.751   9.826   3.339
  232    HH   TYR  29           HH       TYR  29   7.304   8.464   4.658
  233    H    GLN  30           HN       GLN  30  12.443   4.116   0.115
  234    HA   GLN  30           HA       GLN  30  13.905   4.415  -2.494
  235   1HB   GLN  30          HB2       GLN  30  14.927   3.017  -0.623
  236   2HB   GLN  30          HB1       GLN  30  13.539   1.937  -0.772
  237   1HG   GLN  30          HG2       GLN  30  14.098   1.553  -3.149
  238   2HG   GLN  30          HG1       GLN  30  15.495   2.618  -2.989
  239   1HE2  GLN  30          HE21      GLN  30  15.089  -0.495  -3.365
  240   2HE2  GLN  30          HE22      GLN  30  16.178  -1.145  -2.238
  241    H    LEU  31           HN       LEU  31  11.919   4.964  -3.561
  242    HA   LEU  31           HA       LEU  31   9.575   3.239  -3.337
  243   1HB   LEU  31          HB2       LEU  31  10.224   5.462  -5.284
  244   2HB   LEU  31          HB1       LEU  31   8.623   4.912  -4.792
  245    HG   LEU  31           HG       LEU  31  10.696   6.229  -3.010
  246   1HD1  LEU  31          HD11      LEU  31   8.190   7.550  -2.981
  247   2HD1  LEU  31          HD12      LEU  31   8.573   7.241  -4.673
  248   3HD1  LEU  31          HD13      LEU  31   9.709   8.138  -3.668
  249   1HD2  LEU  31          HD21      LEU  31   8.610   6.187  -1.427
  250   2HD2  LEU  31          HD22      LEU  31   9.599   4.734  -1.574
  251   3HD2  LEU  31          HD23      LEU  31   8.075   4.858  -2.453
  252    H    GLN  32           HN       GLN  32   9.107   1.526  -4.594
  253    HA   GLN  32           HA       GLN  32  10.661   1.103  -7.125
  254   1HB   GLN  32          HB2       GLN  32  10.992  -0.525  -5.235
  255   2HB   GLN  32          HB1       GLN  32   9.269  -0.897  -5.307
  256   1HG   GLN  32          HG2       GLN  32  10.524  -2.561  -6.593
  257   2HG   GLN  32          HG1       GLN  32   9.541  -1.582  -7.684
  258   1HE2  GLN  32          HE21      GLN  32  10.670  -0.828  -9.475
  259   2HE2  GLN  32          HE22      GLN  32  12.343  -0.548  -9.529
  260    H    VAL  33           HN       VAL  33   9.389   1.213  -8.968
  261    HA   VAL  33           HA       VAL  33   6.440   1.293  -8.584
  262    HB   VAL  33           HB       VAL  33   8.097   1.933 -11.034
  263   1HG1  VAL  33          HG11      VAL  33   5.479   1.624 -10.987
  264   2HG1  VAL  33          HG12      VAL  33   6.180   3.002 -11.836
  265   3HG1  VAL  33          HG13      VAL  33   5.503   3.213 -10.221
  266   1HG2  VAL  33          HG21      VAL  33   7.596   4.348 -10.028
  267   2HG2  VAL  33          HG22      VAL  33   9.018   3.435  -9.523
  268   3HG2  VAL  33          HG23      VAL  33   7.576   3.453  -8.507
  269    H    CYS  34           HN       CYS  34   5.164  -0.332  -9.263
  270    HA   CYS  34           HA       CYS  34   6.400  -2.535 -10.876
  271   1HB   CYS  34          HB2       CYS  34   4.006  -2.460  -9.006
  272   2HB   CYS  34          HB1       CYS  34   4.647  -3.907  -9.784
  273    HG   CYS  34           HG       CYS  34   6.276  -2.257  -7.676
  274    H    GLU  35           HN       GLU  35   5.789  -2.392 -13.012
  275    HA   GLU  35           HA       GLU  35   3.665  -0.799 -14.032
  276   1HB   GLU  35          HB2       GLU  35   5.075  -3.250 -15.134
  277   2HB   GLU  35          HB1       GLU  35   4.096  -2.143 -16.096
  278   1HG   GLU  35          HG2       GLU  35   5.601  -0.276 -15.448
  279   2HG   GLU  35          HG1       GLU  35   6.603  -1.418 -14.550
  280    H    SER  36           HN       SER  36   3.713  -4.163 -12.928
  281    HA   SER  36           HA       SER  36   0.773  -4.316 -13.531
  282   1HB   SER  36          HB2       SER  36   3.079  -6.134 -13.953
  283   2HB   SER  36          HB1       SER  36   1.607  -6.905 -13.371
  284    HG   SER  36           HG       SER  36   0.538  -6.215 -15.149
  285    H    GLY  37           HN       GLY  37   0.152  -6.567 -12.052
  286   1HA   GLY  37          HA2       GLY  37   0.678  -5.636  -9.267
  287   2HA   GLY  37          HA1       GLY  37  -0.697  -6.637  -9.763
  288    H    GLU  38           HN       GLU  38   1.023  -8.187 -11.564
  289    HA   GLU  38           HA       GLU  38   1.841 -10.292  -9.753
  290   1HB   GLU  38          HB2       GLU  38   1.941  -9.660 -12.700
  291   2HB   GLU  38          HB1       GLU  38   2.776 -11.072 -12.078
  292   1HG   GLU  38          HG2       GLU  38   0.616 -11.779 -10.986
  293   2HG   GLU  38          HG1       GLU  38  -0.174 -10.455 -11.843
  294    H    MET  39           HN       MET  39   3.414  -7.783 -11.687
  295    HA   MET  39           HA       MET  39   6.125  -8.514 -11.253
  296   1HB   MET  39          HB2       MET  39   4.739  -5.839 -11.634
  297   2HB   MET  39          HB1       MET  39   6.479  -6.075 -11.788
  298   1HG   MET  39          HG2       MET  39   6.061  -7.772 -13.562
  299   2HG   MET  39          HG1       MET  39   4.335  -7.432 -13.447
  300   1HE   MET  39          HE1       MET  39   7.752  -5.129 -15.200
  301   2HE   MET  39          HE2       MET  39   7.746  -6.351 -13.930
  302   3HE   MET  39          HE3       MET  39   7.509  -4.654 -13.514
  303    H    LEU  40           HN       LEU  40   3.833  -6.590  -9.381
  304    HA   LEU  40           HA       LEU  40   5.583  -5.594  -7.366
  305   1HB   LEU  40          HB2       LEU  40   3.473  -4.628  -7.425
  306   2HB   LEU  40          HB1       LEU  40   2.668  -6.161  -7.748
  307    HG   LEU  40           HG       LEU  40   2.826  -6.836  -5.462
  308   1HD1  LEU  40          HD11      LEU  40   5.152  -5.233  -5.475
  309   2HD1  LEU  40          HD12      LEU  40   4.544  -6.224  -4.149
  310   3HD1  LEU  40          HD13      LEU  40   4.075  -4.528  -4.267
  311   1HD2  LEU  40          HD21      LEU  40   1.391  -4.639  -6.242
  312   2HD2  LEU  40          HD22      LEU  40   2.303  -3.983  -4.882
  313   3HD2  LEU  40          HD23      LEU  40   1.261  -5.387  -4.650
  314    H    LEU  41           HN       LEU  41   3.716  -8.634  -7.567
  315    HA   LEU  41           HA       LEU  41   4.344  -9.668  -4.990
  316   1HB   LEU  41          HB2       LEU  41   3.863 -11.024  -7.663
  317   2HB   LEU  41          HB1       LEU  41   3.759 -11.824  -6.093
  318    HG   LEU  41           HG       LEU  41   2.130  -9.385  -6.836
  319   1HD1  LEU  41          HD11      LEU  41   1.773 -12.222  -7.481
  320   2HD1  LEU  41          HD12      LEU  41   0.929 -10.812  -8.122
  321   3HD1  LEU  41          HD13      LEU  41   0.405 -11.541  -6.603
  322   1HD2  LEU  41          HD21      LEU  41   0.840 -10.049  -4.839
  323   2HD2  LEU  41          HD22      LEU  41   2.533  -9.765  -4.428
  324   3HD2  LEU  41          HD23      LEU  41   1.924 -11.413  -4.591
  325    H    GLU  42           HN       GLU  42   6.051 -10.001  -8.109
  326    HA   GLU  42           HA       GLU  42   8.105 -11.778  -7.249
  327   1HB   GLU  42          HB2       GLU  42   7.514 -11.053  -9.598
  328   2HB   GLU  42          HB1       GLU  42   8.300  -9.510  -9.261
  329   1HG   GLU  42          HG2       GLU  42  10.410 -10.708  -8.750
  330   2HG   GLU  42          HG1       GLU  42   9.623 -12.238  -9.136
  331    H    TYR  43           HN       TYR  43   7.859  -8.236  -7.094
  332    HA   TYR  43           HA       TYR  43  10.526  -7.753  -6.144
  333   1HB   TYR  43          HB2       TYR  43   9.247  -5.968  -7.068
  334   2HB   TYR  43          HB1       TYR  43   7.876  -6.303  -6.010
  335    HD1  TYR  43           HD1      TYR  43  11.182  -4.741  -6.275
  336    HD2  TYR  43           HD2      TYR  43   7.951  -5.722  -3.622
  337    HE1  TYR  43           HE1      TYR  43  12.087  -3.162  -4.589
  338    HE2  TYR  43           HE2      TYR  43   8.855  -4.145  -1.936
  339    HH   TYR  43           HH       TYR  43  11.978  -2.808  -2.157
  340    H    ALA  44           HN       ALA  44   7.409  -8.104  -4.405
  341    HA   ALA  44           HA       ALA  44   8.606  -7.908  -1.767
  342   1HB   ALA  44          HB1       ALA  44   6.406  -7.920  -1.148
  343   2HB   ALA  44          HB2       ALA  44   6.056  -9.361  -2.103
  344   3HB   ALA  44          HB3       ALA  44   6.094  -7.778  -2.878
  345    H    GLN  45           HN       GLN  45   7.813 -10.550  -3.967
  346    HA   GLN  45           HA       GLN  45   7.896 -12.795  -2.319
  347   1HB   GLN  45          HB2       GLN  45   8.668 -12.116  -5.119
  348   2HB   GLN  45          HB1       GLN  45   9.142 -13.703  -4.511
  349   1HG   GLN  45          HG2       GLN  45   6.915 -14.337  -4.085
  350   2HG   GLN  45          HG1       GLN  45   6.338 -12.674  -4.162
  351   1HE2  GLN  45          HE21      GLN  45   4.773 -13.323  -5.851
  352   2HE2  GLN  45          HE22      GLN  45   5.294 -13.577  -7.445
  353    H    THR  46           HN       THR  46  10.523 -10.619  -3.012
  354    HA   THR  46           HA       THR  46  12.367 -12.524  -1.609
  355    HB   THR  46           HB       THR  46  14.017 -12.097  -3.232
  356    HG1  THR  46           HG1      THR  46  13.656 -10.300  -4.739
  357   1HG2  THR  46          HG21      THR  46  12.949 -12.466  -5.388
  358   2HG2  THR  46          HG22      THR  46  11.421 -11.825  -4.782
  359   3HG2  THR  46          HG23      THR  46  12.049 -13.350  -4.156
  360    H    HIS  47           HN       HIS  47  10.719  -9.899  -0.986
  361    HA   HIS  47           HA       HIS  47  12.872  -8.696   0.660
  362   1HB   HIS  47          HB2       HIS  47  11.388  -7.400  -1.621
  363   2HB   HIS  47          HB1       HIS  47  12.013  -6.418  -0.297
  364    HD1  HIS  47           HD1      HIS  47  13.129  -8.603  -3.149
  365    HD2  HIS  47           HD2      HIS  47  14.845  -6.203  -0.204
  366    HE1  HIS  47           HE1      HIS  47  15.566  -8.325  -3.782
  367    H    ARG  48           HN       ARG  48  10.030 -10.087   0.793
  368    HA   ARG  48           HA       ARG  48   7.966  -8.499   1.692
  369   1HB   ARG  48          HB2       ARG  48   8.791 -10.691   3.552
  370   2HB   ARG  48          HB1       ARG  48   7.215 -10.374   2.839
  371   1HG   ARG  48          HG2       ARG  48   8.202 -11.122   0.620
  372   2HG   ARG  48          HG1       ARG  48   9.606 -11.677   1.533
  373   1HD   ARG  48          HD2       ARG  48   8.109 -13.103   2.936
  374   2HD   ARG  48          HD1       ARG  48   6.733 -12.604   1.931
  375    HE   ARG  48           HE       ARG  48   8.671 -13.469   0.116
  376   1HH1  ARG  48          HH11      ARG  48   6.945 -14.738   2.819
  377   2HH1  ARG  48          HH12      ARG  48   7.020 -16.379   2.266
  378   1HH2  ARG  48          HH21      ARG  48   8.777 -15.609  -0.620
  379   2HH2  ARG  48          HH22      ARG  48   8.056 -16.870   0.323
  380    H    ASP  49           HN       ASP  49  10.613  -9.617   3.770
  381    HA   ASP  49           HA       ASP  49   9.937  -7.859   5.980
  382   1HB   ASP  49          HB2       ASP  49  11.201 -10.066   6.015
  383   2HB   ASP  49          HB1       ASP  49  12.578  -9.204   5.329
  384    H    GLN  50           HN       GLN  50  12.113  -7.672   3.209
  385    HA   GLN  50           HA       GLN  50  13.597  -5.357   4.045
  386   1HB   GLN  50          HB2       GLN  50  12.936  -6.479   1.305
  387   2HB   GLN  50          HB1       GLN  50  14.227  -5.324   1.646
  388   1HG   GLN  50          HG2       GLN  50  13.996  -8.112   2.816
  389   2HG   GLN  50          HG1       GLN  50  15.126  -7.613   1.557
  390   1HE2  GLN  50          HE21      GLN  50  15.473  -8.496   4.538
  391   2HE2  GLN  50          HE22      GLN  50  16.498  -7.303   5.175
  392    H    ILE  51           HN       ILE  51  10.465  -5.748   2.428
  393    HA   ILE  51           HA       ILE  51  10.296  -3.009   1.496
  394    HB   ILE  51           HB       ILE  51   8.062  -4.958   2.158
  395   1HG1  ILE  51          HG12      ILE  51   9.236  -6.260   0.643
  396   2HG1  ILE  51          HG11      ILE  51   8.336  -5.248  -0.487
  397   1HG2  ILE  51          HG21      ILE  51   7.474  -2.559   1.668
  398   2HG2  ILE  51          HG22      ILE  51   6.797  -3.712   0.519
  399   3HG2  ILE  51          HG23      ILE  51   8.214  -2.759   0.080
  400   1HD1  ILE  51          HD11      ILE  51  11.201  -4.858   0.425
  401   2HD1  ILE  51          HD12      ILE  51  10.305  -3.670  -0.523
  402   3HD1  ILE  51          HD13      ILE  51  10.639  -5.263  -1.199
  403    H    ASP  52           HN       ASP  52   9.726  -1.206   2.647
  404    HA   ASP  52           HA       ASP  52   9.021  -1.567   5.514
  405   1HB   ASP  52          HB2       ASP  52  10.200   0.617   3.806
  406   2HB   ASP  52          HB1       ASP  52   9.599   0.963   5.425
  407    H    CYS  53           HN       CYS  53   7.552  -0.711   2.505
  408    HA   CYS  53           HA       CYS  53   4.973  -0.293   3.777
  409   1HB   CYS  53          HB2       CYS  53   6.698   1.878   3.777
  410   2HB   CYS  53          HB1       CYS  53   5.677   2.180   2.369
  411    HG   CYS  53           HG       CYS  53   4.591   3.057   4.707
  412    H    LEU  54           HN       LEU  54   3.528  -1.090   2.270
  413    HA   LEU  54           HA       LEU  54   4.344  -1.007  -0.614
  414   1HB   LEU  54          HB2       LEU  54   3.864  -3.198   0.266
  415   2HB   LEU  54          HB1       LEU  54   2.362  -2.634   1.001
  416    HG   LEU  54           HG       LEU  54   1.573  -2.048  -1.346
  417   1HD1  LEU  54          HD11      LEU  54   3.294  -3.992  -2.630
  418   2HD1  LEU  54          HD12      LEU  54   4.247  -2.673  -1.950
  419   3HD1  LEU  54          HD13      LEU  54   2.956  -2.326  -3.099
  420   1HD2  LEU  54          HD21      LEU  54   1.951  -4.738  -0.170
  421   2HD2  LEU  54          HD22      LEU  54   1.565  -4.726  -1.891
  422   3HD2  LEU  54          HD23      LEU  54   0.477  -3.956  -0.736
  423    H    ILE  55           HN       ILE  55   3.143   0.184  -2.104
  424    HA   ILE  55           HA       ILE  55   0.749   1.651  -1.044
  425    HB   ILE  55           HB       ILE  55   2.516   2.166  -3.458
  426   1HG1  ILE  55          HG12      ILE  55   2.521   3.730  -0.875
  427   2HG1  ILE  55          HG11      ILE  55   3.573   2.329  -1.099
  428   1HG2  ILE  55          HG21      ILE  55   0.361   3.190  -3.749
  429   2HG2  ILE  55          HG22      ILE  55   1.469   4.467  -3.241
  430   3HG2  ILE  55          HG23      ILE  55   0.341   3.763  -2.080
  431   1HD1  ILE  55          HD11      ILE  55   4.326   4.809  -1.811
  432   2HD1  ILE  55          HD12      ILE  55   3.516   4.328  -3.302
  433   3HD1  ILE  55          HD13      ILE  55   4.864   3.373  -2.684
  434    H    LEU  56           HN       LEU  56  -1.237   1.228  -1.998
  435    HA   LEU  56           HA       LEU  56  -1.231  -0.314  -4.567
  436   1HB   LEU  56          HB2       LEU  56  -2.746  -0.800  -1.995
  437   2HB   LEU  56          HB1       LEU  56  -3.175  -1.576  -3.521
  438    HG   LEU  56           HG       LEU  56  -0.437  -1.730  -2.232
  439   1HD1  LEU  56          HD11      LEU  56  -2.879  -3.125  -1.644
  440   2HD1  LEU  56          HD12      LEU  56  -1.285  -3.352  -0.925
  441   3HD1  LEU  56          HD13      LEU  56  -1.735  -4.254  -2.372
  442   1HD2  LEU  56          HD21      LEU  56  -0.574  -3.789  -3.969
  443   2HD2  LEU  56          HD22      LEU  56   0.010  -2.193  -4.442
  444   3HD2  LEU  56          HD23      LEU  56  -1.656  -2.662  -4.787
  445    H    VAL  57           HN       VAL  57  -3.217  -0.096  -5.790
  446    HA   VAL  57           HA       VAL  57  -4.803   2.360  -5.104
  447    HB   VAL  57           HB       VAL  57  -3.848   1.266  -7.774
  448   1HG1  VAL  57          HG11      VAL  57  -4.807   3.525  -8.571
  449   2HG1  VAL  57          HG12      VAL  57  -5.701   3.538  -7.051
  450   3HG1  VAL  57          HG13      VAL  57  -5.963   2.240  -8.217
  451   1HG2  VAL  57          HG21      VAL  57  -2.019   2.368  -6.768
  452   2HG2  VAL  57          HG22      VAL  57  -3.050   3.591  -6.025
  453   3HG2  VAL  57          HG23      VAL  57  -2.754   3.624  -7.763
  454    H    ALA  58           HN       ALA  58  -6.760   1.518  -4.419
  455    HA   ALA  58           HA       ALA  58  -7.845  -1.011  -5.135
  456   1HB   ALA  58          HB1       ALA  58  -8.395   1.018  -3.392
  457   2HB   ALA  58          HB2       ALA  58  -9.489  -0.330  -3.704
  458   3HB   ALA  58          HB3       ALA  58  -9.717   1.203  -4.546
  459    H    ALA  59           HN       ALA  59  -7.767   1.996  -6.864
  460    HA   ALA  59           HA       ALA  59 -10.045   1.872  -8.510
  461   1HB   ALA  59          HB1       ALA  59  -8.834   3.388  -9.859
  462   2HB   ALA  59          HB2       ALA  59  -7.295   2.600  -9.514
  463   3HB   ALA  59          HB3       ALA  59  -8.085   3.572  -8.272
  464    H    ASN  60           HN       ASN  60  -7.291  -0.237  -8.429
  465    HA   ASN  60           HA       ASN  60  -7.489  -1.225 -11.158
  466   1HB   ASN  60          HB2       ASN  60  -6.059  -1.840  -8.615
  467   2HB   ASN  60          HB1       ASN  60  -6.135  -3.125  -9.819
  468   1HD2  ASN  60          HD21      ASN  60  -3.992  -3.026 -10.644
  469   2HD2  ASN  60          HD22      ASN  60  -3.332  -1.642 -11.373
  470    HA   PRO  61           HA       PRO  61 -10.790  -4.066 -10.595
  471   1HB   PRO  61          HB2       PRO  61 -10.182  -5.888 -12.539
  472   2HB   PRO  61          HB1       PRO  61 -10.827  -4.272 -12.888
  473   1HG   PRO  61          HG2       PRO  61  -8.053  -5.290 -13.113
  474   2HG   PRO  61          HG1       PRO  61  -8.904  -4.088 -14.095
  475   1HD   PRO  61          HD2       PRO  61  -7.055  -3.503 -12.123
  476   2HD   PRO  61          HD1       PRO  61  -8.274  -2.373 -12.749
  477    H    SER  62           HN       SER  62  -8.110  -6.214 -11.537
  478    HA   SER  62           HA       SER  62  -8.849  -8.174  -9.511
  479   1HB   SER  62          HB2       SER  62  -7.067  -9.448 -10.527
  480   2HB   SER  62          HB1       SER  62  -7.903  -8.592 -11.819
  481    HG   SER  62           HG       SER  62  -6.223  -7.278 -12.053
  482    H    PHE  63           HN       PHE  63  -7.360  -5.289  -9.091
  483    HA   PHE  63           HA       PHE  63  -4.939  -5.614  -7.781
  484   1HB   PHE  63          HB2       PHE  63  -5.667  -3.432  -7.870
  485   2HB   PHE  63          HB1       PHE  63  -7.337  -3.865  -7.514
  486    HD1  PHE  63           HD1      PHE  63  -3.972  -4.026  -5.828
  487    HD2  PHE  63           HD2      PHE  63  -8.170  -3.199  -5.467
  488    HE1  PHE  63           HE1      PHE  63  -3.646  -3.392  -3.457
  489    HE2  PHE  63           HE2      PHE  63  -7.847  -2.567  -3.098
  490    HZ   PHE  63           HZ       PHE  63  -5.582  -2.661  -2.087
  491    H    ARG  64           HN       ARG  64  -8.183  -6.183  -6.352
  492    HA   ARG  64           HA       ARG  64  -7.357  -6.881  -3.735
  493   1HB   ARG  64          HB2       ARG  64  -9.633  -7.480  -5.572
  494   2HB   ARG  64          HB1       ARG  64  -9.479  -8.498  -4.139
  495   1HG   ARG  64          HG2       ARG  64 -10.822  -6.710  -3.396
  496   2HG   ARG  64          HG1       ARG  64  -9.206  -6.262  -2.849
  497   1HD   ARG  64          HD2       ARG  64  -9.940  -4.281  -3.886
  498   2HD   ARG  64          HD1       ARG  64  -9.054  -5.077  -5.205
  499    HE   ARG  64           HE       ARG  64 -11.616  -6.125  -5.397
  500   1HH1  ARG  64          HH11      ARG  64 -10.216  -2.976  -5.286
  501   2HH1  ARG  64          HH12      ARG  64 -11.435  -2.253  -6.284
  502   1HH2  ARG  64          HH21      ARG  64 -13.216  -5.200  -6.699
  503   2HH2  ARG  64          HH22      ARG  64 -13.132  -3.513  -7.083
  504    H    ALA  65           HN       ALA  65  -7.561  -8.830  -6.694
  505    HA   ALA  65           HA       ALA  65  -6.862 -11.359  -5.546
  506   1HB   ALA  65          HB1       ALA  65  -7.698 -10.506  -7.942
  507   2HB   ALA  65          HB2       ALA  65  -6.816 -12.024  -7.771
  508   3HB   ALA  65          HB3       ALA  65  -5.971 -10.567  -8.292
  509    H    VAL  66           HN       VAL  66  -4.863  -8.770  -6.988
  510    HA   VAL  66           HA       VAL  66  -2.341 -10.091  -6.728
  511    HB   VAL  66           HB       VAL  66  -3.253  -7.204  -6.806
  512   1HG1  VAL  66          HG11      VAL  66  -0.493  -8.366  -6.535
  513   2HG1  VAL  66          HG12      VAL  66  -1.166  -6.914  -5.795
  514   3HG1  VAL  66          HG13      VAL  66  -0.726  -6.908  -7.502
  515   1HG2  VAL  66          HG21      VAL  66  -3.284  -7.553  -9.033
  516   2HG2  VAL  66          HG22      VAL  66  -2.956  -9.259  -8.733
  517   3HG2  VAL  66          HG23      VAL  66  -1.621  -8.138  -8.997
  518    H    VAL  67           HN       VAL  67  -4.062  -7.847  -4.518
  519    HA   VAL  67           HA       VAL  67  -2.069  -7.763  -2.480
  520    HB   VAL  67           HB       VAL  67  -5.077  -7.707  -2.100
  521   1HG1  VAL  67          HG11      VAL  67  -2.683  -6.580  -0.652
  522   2HG1  VAL  67          HG12      VAL  67  -4.009  -7.542  -0.001
  523   3HG1  VAL  67          HG13      VAL  67  -4.286  -5.862  -0.456
  524   1HG2  VAL  67          HG21      VAL  67  -5.156  -5.961  -3.525
  525   2HG2  VAL  67          HG22      VAL  67  -3.410  -6.027  -3.767
  526   3HG2  VAL  67          HG23      VAL  67  -4.081  -5.086  -2.435
  527    H    GLN  68           HN       GLN  68  -4.764 -10.045  -3.050
  528    HA   GLN  68           HA       GLN  68  -4.483 -11.547  -0.645
  529   1HB   GLN  68          HB2       GLN  68  -6.166 -12.740  -1.619
  530   2HB   GLN  68          HB1       GLN  68  -6.099 -11.520  -2.886
  531   1HG   GLN  68          HG2       GLN  68  -4.430 -12.941  -4.101
  532   2HG   GLN  68          HG1       GLN  68  -4.660 -14.188  -2.870
  533   1HE2  GLN  68          HE21      GLN  68  -5.763 -15.762  -4.169
  534   2HE2  GLN  68          HE22      GLN  68  -7.271 -15.470  -4.894
  535    H    GLN  69           HN       GLN  69  -2.798 -11.730  -3.769
  536    HA   GLN  69           HA       GLN  69  -1.365 -14.155  -3.327
  537   1HB   GLN  69          HB2       GLN  69  -1.614 -12.628  -5.413
  538   2HB   GLN  69          HB1       GLN  69  -0.269 -11.711  -4.732
  539   1HG   GLN  69          HG2       GLN  69   0.685 -13.330  -6.232
  540   2HG   GLN  69          HG1       GLN  69   1.013 -13.894  -4.592
  541   1HE2  GLN  69          HE21      GLN  69   0.574 -16.082  -4.332
  542   2HE2  GLN  69          HE22      GLN  69  -0.618 -16.949  -5.174
  543    H    LEU  70           HN       LEU  70  -0.557 -10.757  -2.476
  544    HA   LEU  70           HA       LEU  70   2.010 -11.252  -1.331
  545   1HB   LEU  70          HB2       LEU  70  -0.194  -9.240  -1.044
  546   2HB   LEU  70          HB1       LEU  70   1.096  -9.219   0.160
  547    HG   LEU  70           HG       LEU  70   2.151  -9.489  -2.544
  548   1HD1  LEU  70          HD11      LEU  70   0.516  -8.144  -3.468
  549   2HD1  LEU  70          HD12      LEU  70   1.605  -6.900  -2.854
  550   3HD1  LEU  70          HD13      LEU  70   0.165  -7.341  -1.937
  551   1HD2  LEU  70          HD21      LEU  70   3.675  -8.829  -0.884
  552   2HD2  LEU  70          HD22      LEU  70   2.527  -7.716  -0.138
  553   3HD2  LEU  70          HD23      LEU  70   3.294  -7.297  -1.670
  554    H    CYS  71           HN       CYS  71  -1.210 -11.147   0.213
  555    HA   CYS  71           HA       CYS  71  -0.411 -11.974   2.828
  556   1HB   CYS  71          HB2       CYS  71  -2.951 -12.219   1.189
  557   2HB   CYS  71          HB1       CYS  71  -2.880 -12.636   2.902
  558    HG   CYS  71           HG       CYS  71  -3.342  -9.910   2.005
  559    H    PHE  72           HN       PHE  72  -1.424 -13.793  -0.050
  560    HA   PHE  72           HA       PHE  72  -1.543 -16.407   1.065
  561   1HB   PHE  72          HB2       PHE  72  -2.375 -15.670  -1.152
  562   2HB   PHE  72          HB1       PHE  72  -0.714 -15.441  -1.693
  563    HD1  PHE  72           HD1      PHE  72   0.813 -17.403  -1.925
  564    HD2  PHE  72           HD2      PHE  72  -3.362 -17.851  -1.021
  565    HE1  PHE  72           HE1      PHE  72   0.929 -19.794  -2.577
  566    HE2  PHE  72           HE2      PHE  72  -3.247 -20.242  -1.670
  567    HZ   PHE  72           HZ       PHE  72  -1.102 -21.213  -2.449
  568    H    GLU  73           HN       GLU  73   1.173 -14.746  -0.581
  569    HA   GLU  73           HA       GLU  73   3.074 -16.882  -0.156
  570   1HB   GLU  73          HB2       GLU  73   3.454 -13.904  -0.634
  571   2HB   GLU  73          HB1       GLU  73   4.669 -15.154  -0.904
  572   1HG   GLU  73          HG2       GLU  73   3.166 -16.224  -2.566
  573   2HG   GLU  73          HG1       GLU  73   2.006 -14.914  -2.332
  574    H    GLY  74           HN       GLY  74   1.725 -14.508   1.903
  575   1HA   GLY  74          HA2       GLY  74   2.108 -14.459   4.282
  576   2HA   GLY  74          HA1       GLY  74   3.684 -15.208   4.016
  577    H    VAL  75           HN       VAL  75   3.179 -12.804   1.728
  578    HA   VAL  75           HA       VAL  75   5.201 -11.074   2.942
  579    HB   VAL  75           HB       VAL  75   3.433 -10.674   0.506
  580   1HG1  VAL  75          HG11      VAL  75   5.470  -9.406  -0.285
  581   2HG1  VAL  75          HG12      VAL  75   6.126  -9.568   1.344
  582   3HG1  VAL  75          HG13      VAL  75   4.635  -8.663   1.081
  583   1HG2  VAL  75          HG21      VAL  75   4.612 -12.262  -0.594
  584   2HG2  VAL  75          HG22      VAL  75   5.171 -12.800   0.990
  585   3HG2  VAL  75          HG23      VAL  75   6.143 -11.669   0.049
  586    H    VAL  76           HN       VAL  76   4.350 -10.037   4.790
  587    HA   VAL  76           HA       VAL  76   1.854  -8.422   4.378
  588    HB   VAL  76           HB       VAL  76   3.071  -9.306   7.005
  589   1HG1  VAL  76          HG11      VAL  76   0.369  -8.322   6.073
  590   2HG1  VAL  76          HG12      VAL  76   1.403  -7.647   7.334
  591   3HG1  VAL  76          HG13      VAL  76   0.563  -9.176   7.602
  592   1HG2  VAL  76          HG21      VAL  76   1.227 -11.133   6.805
  593   2HG2  VAL  76          HG22      VAL  76   2.739 -11.383   5.933
  594   3HG2  VAL  76          HG23      VAL  76   1.309 -10.812   5.073
  595    H    VAL  77           HN       VAL  77   2.168  -6.231   4.398
  596    HA   VAL  77           HA       VAL  77   4.479  -5.088   5.918
  597    HB   VAL  77           HB       VAL  77   4.881  -3.703   3.791
  598   1HG1  VAL  77          HG11      VAL  77   6.252  -5.435   2.772
  599   2HG1  VAL  77          HG12      VAL  77   5.314  -6.693   3.578
  600   3HG1  VAL  77          HG13      VAL  77   6.324  -5.601   4.526
  601   1HG2  VAL  77          HG21      VAL  77   3.632  -4.092   1.939
  602   2HG2  VAL  77          HG22      VAL  77   2.526  -4.953   3.010
  603   3HG2  VAL  77          HG23      VAL  77   3.765  -5.842   2.123
  604    HA   PRO  78           HA       PRO  78   1.614  -1.850   6.794
  605   1HB   PRO  78          HB2       PRO  78   3.216   0.379   6.597
  606   2HB   PRO  78          HB1       PRO  78   3.265  -0.730   7.984
  607   1HG   PRO  78          HG2       PRO  78   5.049  -0.617   5.591
  608   2HG   PRO  78          HG1       PRO  78   5.475  -0.824   7.300
  609   1HD   PRO  78          HD2       PRO  78   5.394  -2.915   5.624
  610   2HD   PRO  78          HD1       PRO  78   4.861  -3.069   7.316
  611    H    ALA  79           HN       ALA  79   0.432  -2.220   4.838
  612    HA   ALA  79           HA       ALA  79   1.273  -0.796   2.385
  613   1HB   ALA  79          HB1       ALA  79   0.338  -3.247   2.845
  614   2HB   ALA  79          HB2       ALA  79  -0.040  -2.393   1.348
  615   3HB   ALA  79          HB3       ALA  79  -1.213  -2.428   2.666
  616    H    ILE  80           HN       ILE  80   0.314   1.064   1.699
  617    HA   ILE  80           HA       ILE  80  -2.035   2.121   3.210
  618    HB   ILE  80           HB       ILE  80  -0.105   3.425   1.253
  619   1HG1  ILE  80          HG12      ILE  80  -0.084   3.749   4.255
  620   2HG1  ILE  80          HG11      ILE  80   0.811   2.440   3.483
  621   1HG2  ILE  80          HG21      ILE  80  -1.036   5.404   2.869
  622   2HG2  ILE  80          HG22      ILE  80  -2.448   4.349   2.821
  623   3HG2  ILE  80          HG23      ILE  80  -1.775   4.988   1.321
  624   1HD1  ILE  80          HD11      ILE  80   1.595   4.528   1.933
  625   2HD1  ILE  80          HD12      ILE  80   2.472   4.007   3.371
  626   3HD1  ILE  80          HD13      ILE  80   1.343   5.358   3.470
  627    H    VAL  81           HN       VAL  81  -4.032   2.134   2.139
  628    HA   VAL  81           HA       VAL  81  -4.025   1.343  -0.739
  629    HB   VAL  81           HB       VAL  81  -6.185   1.287   1.390
  630   1HG1  VAL  81          HG11      VAL  81  -6.932   1.448  -1.036
  631   2HG1  VAL  81          HG12      VAL  81  -7.481   0.008  -0.179
  632   3HG1  VAL  81          HG13      VAL  81  -6.126  -0.099  -1.303
  633   1HG2  VAL  81          HG21      VAL  81  -5.706  -1.052   1.596
  634   2HG2  VAL  81          HG22      VAL  81  -4.146  -0.235   1.676
  635   3HG2  VAL  81          HG23      VAL  81  -4.650  -1.029   0.184
  636    H    VAL  82           HN       VAL  82  -4.999   2.597  -2.294
  637    HA   VAL  82           HA       VAL  82  -6.037   5.287  -1.461
  638    HB   VAL  82           HB       VAL  82  -5.065   4.497  -4.206
  639   1HG1  VAL  82          HG11      VAL  82  -4.258   6.966  -3.990
  640   2HG1  VAL  82          HG12      VAL  82  -5.367   7.038  -2.620
  641   3HG1  VAL  82          HG13      VAL  82  -5.978   6.658  -4.231
  642   1HG2  VAL  82          HG21      VAL  82  -2.919   5.747  -2.927
  643   2HG2  VAL  82          HG22      VAL  82  -3.021   4.041  -3.363
  644   3HG2  VAL  82          HG23      VAL  82  -3.497   4.568  -1.748
  645    H    GLY  83           HN       GLY  83  -7.753   6.141  -3.021
  646   1HA   GLY  83          HA2       GLY  83  -9.713   5.875  -4.308
  647   2HA   GLY  83          HA1       GLY  83  -9.209   4.220  -4.652
  648    H    ASP  84           HN       ASP  84  -9.680   5.699  -1.462
  649    HA   ASP  84           HA       ASP  84 -11.787   3.631  -0.932
  650   1HB   ASP  84          HB2       ASP  84 -10.998   3.819   1.405
  651   2HB   ASP  84          HB1       ASP  84  -9.657   3.442   0.323
  652    H    ARG  85           HN       ARG  85 -13.732   4.337   0.041
  653    HA   ARG  85           HA       ARG  85 -14.035   7.310   0.342
  654   1HB   ARG  85          HB2       ARG  85 -16.051   5.258  -0.627
  655   2HB   ARG  85          HB1       ARG  85 -16.288   7.005  -0.567
  656   1HG   ARG  85          HG2       ARG  85 -14.299   7.237  -2.109
  657   2HG   ARG  85          HG1       ARG  85 -14.328   5.482  -2.298
  658   1HD   ARG  85          HD2       ARG  85 -16.743   5.681  -3.025
  659   2HD   ARG  85          HD1       ARG  85 -16.519   7.442  -3.049
  660    HE   ARG  85           HE       ARG  85 -14.347   6.483  -4.483
  661   1HH1  ARG  85          HH11      ARG  85 -17.776   6.079  -4.646
  662   2HH1  ARG  85          HH12      ARG  85 -17.797   5.877  -6.366
  663   1HH2  ARG  85          HH21      ARG  85 -14.368   6.221  -6.723
  664   2HH2  ARG  85          HH22      ARG  85 -15.872   5.958  -7.540
  665    H    ASP  86           HN       ASP  86 -15.817   7.903   1.845
  666    HA   ASP  86           HA       ASP  86 -15.832   6.085   4.201
  667   1HB   ASP  86          HB2       ASP  86 -16.680   8.968   3.755
  668   2HB   ASP  86          HB1       ASP  86 -16.714   8.148   5.318
  669    H    SER  87           HN       SER  87 -17.554   5.944   1.587
  670    HA   SER  87           HA       SER  87 -20.290   6.431   2.319
  671   1HB   SER  87          HB2       SER  87 -18.983   4.507   0.369
  672   2HB   SER  87          HB1       SER  87 -20.699   4.899   0.380
  673    HG   SER  87           HG       SER  87 -20.253   6.917  -0.271
  674    H    GLU  88           HN       GLU  88 -21.443   5.332   3.849
  675    HA   GLU  88           HA       GLU  88 -20.453   2.817   4.989
  676   1HB   GLU  88          HB2       GLU  88 -22.304   3.193   6.528
  677   2HB   GLU  88          HB1       GLU  88 -21.498   4.735   6.237
  678   1HG   GLU  88          HG2       GLU  88 -23.263   4.862   4.241
  679   2HG   GLU  88          HG1       GLU  88 -24.175   3.791   5.306
  680    H    ASP  89           HN       ASP  89 -22.211   3.540   2.245
  681    HA   ASP  89           HA       ASP  89 -24.370   1.644   2.350
  682   1HB   ASP  89          HB2       ASP  89 -24.003   3.632   0.809
  683   2HB   ASP  89          HB1       ASP  89 -22.831   2.645  -0.063
  684    HA   PRO  90           HA       PRO  90 -22.042  -2.087   1.867
  685   1HB   PRO  90          HB2       PRO  90 -24.083  -3.729   1.099
  686   2HB   PRO  90          HB1       PRO  90 -23.890  -3.159   2.770
  687   1HG   PRO  90          HG2       PRO  90 -25.716  -2.180   0.634
  688   2HG   PRO  90          HG1       PRO  90 -26.011  -2.377   2.368
  689   1HD   PRO  90          HD2       PRO  90 -25.484   0.025   1.186
  690   2HD   PRO  90          HD1       PRO  90 -25.108  -0.340   2.885
  691    H    ASP  91           HN       ASP  91 -23.656  -0.421  -0.629
  692    HA   ASP  91           HA       ASP  91 -23.428  -2.149  -2.860
  693   1HB   ASP  91          HB2       ASP  91 -23.220   0.843  -2.462
  694   2HB   ASP  91          HB1       ASP  91 -23.168   0.122  -4.070
  695    H    GLU  92           HN       GLU  92 -21.007  -0.089  -1.279
  696    HA   GLU  92           HA       GLU  92 -18.886  -1.295  -3.036
  697   1HB   GLU  92          HB2       GLU  92 -19.187   1.412  -1.705
  698   2HB   GLU  92          HB1       GLU  92 -17.669   0.865  -2.415
  699   1HG   GLU  92          HG2       GLU  92 -19.222   0.355  -4.506
  700   2HG   GLU  92          HG1       GLU  92 -20.239   1.591  -3.763
  701    HA   PRO  93           HA       PRO  93 -18.147  -2.831   1.229
  702   1HB   PRO  93          HB2       PRO  93 -16.864  -5.110   0.427
  703   2HB   PRO  93          HB1       PRO  93 -18.634  -4.976   0.512
  704   1HG   PRO  93          HG2       PRO  93 -16.835  -4.694  -1.855
  705   2HG   PRO  93          HG1       PRO  93 -18.366  -5.574  -1.709
  706   1HD   PRO  93          HD2       PRO  93 -18.229  -3.150  -2.860
  707   2HD   PRO  93          HD1       PRO  93 -19.640  -3.654  -1.900
  708    H    ALA  94           HN       ALA  94 -16.626  -0.762   0.600
  709    HA   ALA  94           HA       ALA  94 -13.840  -1.444  -0.011
  710   1HB   ALA  94          HB1       ALA  94 -15.263   0.718  -0.456
  711   2HB   ALA  94          HB2       ALA  94 -13.566   0.891  -0.016
  712   3HB   ALA  94          HB3       ALA  94 -14.818   1.134   1.201
  713    H    LYS  95           HN       LYS  95 -13.904  -3.075   1.939
  714    HA   LYS  95           HA       LYS  95 -13.426  -1.679   4.536
  715   1HB   LYS  95          HB2       LYS  95 -13.925  -4.576   3.775
  716   2HB   LYS  95          HB1       LYS  95 -13.694  -4.006   5.430
  717   1HG   LYS  95          HG2       LYS  95 -15.609  -2.317   4.819
  718   2HG   LYS  95          HG1       LYS  95 -15.982  -3.486   3.553
  719   1HD   LYS  95          HD2       LYS  95 -17.264  -4.386   5.239
  720   2HD   LYS  95          HD1       LYS  95 -15.737  -5.188   5.618
  721   1HE   LYS  95          HE2       LYS  95 -15.294  -2.983   7.028
  722   2HE   LYS  95          HE1       LYS  95 -17.066  -2.891   7.020
  723   1HZ   LYS  95          HZ1       LYS  95 -15.334  -5.051   8.046
  724   2HZ   LYS  95          HZ2       LYS  95 -16.932  -5.380   7.574
  725   3HZ   LYS  95          HZ3       LYS  95 -16.625  -4.266   8.820
  726    H    GLU  96           HN       GLU  96 -11.733  -3.298   5.827
  727    HA   GLU  96           HA       GLU  96  -9.157  -2.807   4.588
  728   1HB   GLU  96          HB2       GLU  96 -10.043  -4.442   6.987
  729   2HB   GLU  96          HB1       GLU  96  -8.375  -3.979   6.646
  730   1HG   GLU  96          HG2       GLU  96  -9.144  -1.568   6.647
  731   2HG   GLU  96          HG1       GLU  96 -10.702  -2.139   7.247
  732    H    GLN  97           HN       GLN  97 -11.440  -5.136   3.974
  733    HA   GLN  97           HA       GLN  97 -10.032  -7.600   3.877
  734   1HB   GLN  97          HB2       GLN  97 -11.880  -8.258   2.486
  735   2HB   GLN  97          HB1       GLN  97 -12.509  -7.052   3.611
  736   1HG   GLN  97          HG2       GLN  97 -12.029  -5.301   1.838
  737   2HG   GLN  97          HG1       GLN  97 -11.710  -6.628   0.722
  738   1HE2  GLN  97          HE21      GLN  97 -13.527  -6.714  -0.612
  739   2HE2  GLN  97          HE22      GLN  97 -15.131  -6.755  -0.059
  740    H    LEU  98           HN       LEU  98  -9.504  -4.762   2.023
  741    HA   LEU  98           HA       LEU  98  -8.717  -5.879  -0.497
  742   1HB   LEU  98          HB2       LEU  98  -7.848  -3.404   1.040
  743   2HB   LEU  98          HB1       LEU  98  -7.521  -3.680  -0.671
  744    HG   LEU  98           HG       LEU  98 -10.305  -3.648   0.528
  745   1HD1  LEU  98          HD11      LEU  98  -8.929  -1.488  -1.092
  746   2HD1  LEU  98          HD12      LEU  98  -9.078  -1.441   0.665
  747   3HD1  LEU  98          HD13      LEU  98 -10.525  -1.405  -0.344
  748   1HD2  LEU  98          HD21      LEU  98 -10.915  -3.367  -1.894
  749   2HD2  LEU  98          HD22      LEU  98 -10.157  -4.919  -1.536
  750   3HD2  LEU  98          HD23      LEU  98  -9.221  -3.636  -2.303
  751    H    TYR  99           HN       TYR  99  -7.080  -5.319   2.565
  752    HA   TYR  99           HA       TYR  99  -4.924  -7.176   1.751
  753   1HB   TYR  99          HB2       TYR  99  -4.477  -4.656   1.226
  754   2HB   TYR  99          HB1       TYR  99  -4.285  -4.484   2.967
  755    HD1  TYR  99           HD1      TYR  99  -1.987  -3.711   1.569
  756    HD2  TYR  99           HD2      TYR  99  -3.245  -7.729   2.452
  757    HE1  TYR  99           HE1      TYR  99   0.365  -4.483   1.419
  758    HE2  TYR  99           HE2      TYR  99  -0.885  -8.493   2.299
  759    HH   TYR  99           HH       TYR  99   1.690  -6.308   1.263
  760    H    HIS 100           HN       HIS 100  -3.367  -6.350   4.189
  761    HA   HIS 100           HA       HIS 100  -4.817  -7.984   6.131
  762   1HB   HIS 100          HB2       HIS 100  -2.787  -7.357   7.533
  763   2HB   HIS 100          HB1       HIS 100  -2.417  -8.121   5.984
  764    HD2  HIS 100           HD2      HIS 100   0.090  -6.481   6.326
  765    HE1  HIS 100           HE1      HIS 100  -1.840  -3.016   4.847
  766    HE2  HIS 100           HE2      HIS 100   0.380  -4.084   5.382
  767    H    SER 101           HN       SER 101  -4.867  -7.055   8.493
  768    HA   SER 101           HA       SER 101  -6.718  -4.824   8.530
  769   1HB   SER 101          HB2       SER 101  -6.816  -6.714  10.084
  770   2HB   SER 101          HB1       SER 101  -5.214  -6.317  10.700
  771    HG   SER 101           HG       SER 101  -7.219  -4.355  10.702
  772    H    ALA 102           HN       ALA 102  -3.280  -4.950   8.551
  773    HA   ALA 102           HA       ALA 102  -2.916  -2.519  10.171
  774   1HB   ALA 102          HB1       ALA 102  -0.973  -3.656  10.382
  775   2HB   ALA 102          HB2       ALA 102  -0.575  -3.096   8.757
  776   3HB   ALA 102          HB3       ALA 102  -1.342  -4.669   8.986
  777    H    GLU 103           HN       GLU 103  -3.499  -3.284   6.848
  778    HA   GLU 103           HA       GLU 103  -2.212  -1.263   5.418
  779   1HB   GLU 103          HB2       GLU 103  -3.903  -1.670   3.787
  780   2HB   GLU 103          HB1       GLU 103  -3.760  -3.179   4.691
  781   1HG   GLU 103          HG2       GLU 103  -5.659  -2.393   6.151
  782   2HG   GLU 103          HG1       GLU 103  -5.866  -1.028   5.052
  783    H    LEU 104           HN       LEU 104  -2.645   0.903   4.980
  784    HA   LEU 104           HA       LEU 104  -4.691   2.254   6.711
  785   1HB   LEU 104          HB2       LEU 104  -1.902   2.837   5.832
  786   2HB   LEU 104          HB1       LEU 104  -2.995   4.220   5.919
  787    HG   LEU 104           HG       LEU 104  -3.611   3.486   8.249
  788   1HD1  LEU 104          HD11      LEU 104  -1.916   1.928   9.322
  789   2HD1  LEU 104          HD12      LEU 104  -1.361   1.540   7.692
  790   3HD1  LEU 104          HD13      LEU 104  -3.015   1.162   8.174
  791   1HD2  LEU 104          HD21      LEU 104  -1.108   4.646   7.310
  792   2HD2  LEU 104          HD22      LEU 104  -0.905   3.856   8.873
  793   3HD2  LEU 104          HD23      LEU 104  -2.114   5.124   8.680
  794    H    HIS 105           HN       HIS 105  -5.919   3.987   5.609
  795    HA   HIS 105           HA       HIS 105  -6.013   3.541   2.648
  796   1HB   HIS 105          HB2       HIS 105  -8.095   4.586   4.587
  797   2HB   HIS 105          HB1       HIS 105  -8.360   4.220   2.881
  798    HD1  HIS 105           HD1      HIS 105  -9.945   2.667   5.036
  799    HD2  HIS 105           HD2      HIS 105  -6.329   1.356   3.430
  800    HE1  HIS 105           HE1      HIS 105  -9.863   0.162   5.404
  801    H    LEU 106           HN       LEU 106  -5.854   5.280   1.272
  802    HA   LEU 106           HA       LEU 106  -5.458   7.986   2.508
  803   1HB   LEU 106          HB2       LEU 106  -3.375   6.945   1.715
  804   2HB   LEU 106          HB1       LEU 106  -4.105   6.666   0.133
  805    HG   LEU 106           HG       LEU 106  -4.388   9.091  -0.172
  806   1HD1  LEU 106          HD11      LEU 106  -3.152   9.170   2.586
  807   2HD1  LEU 106          HD12      LEU 106  -4.677   9.882   2.059
  808   3HD1  LEU 106          HD13      LEU 106  -3.148  10.570   1.512
  809   1HD2  LEU 106          HD21      LEU 106  -1.538   8.760   0.704
  810   2HD2  LEU 106          HD22      LEU 106  -2.173   9.499  -0.766
  811   3HD2  LEU 106          HD23      LEU 106  -2.155   7.744  -0.598
  812    H    GLY 107           HN       GLY 107  -6.534   9.694   1.475
  813   1HA   GLY 107          HA2       GLY 107  -8.728   9.030  -0.288
  814   2HA   GLY 107          HA1       GLY 107  -8.231  10.663   0.161
  815    H    ILE 108           HN       ILE 108  -8.906   9.408  -2.526
  816    HA   ILE 108           HA       ILE 108  -6.620   9.112  -4.163
  817    HB   ILE 108           HB       ILE 108  -9.426  10.174  -4.600
  818   1HG1  ILE 108          HG12      ILE 108  -8.180   7.444  -5.065
  819   2HG1  ILE 108          HG11      ILE 108  -9.257   7.862  -3.731
  820   1HG2  ILE 108          HG21      ILE 108  -9.107   9.859  -6.934
  821   2HG2  ILE 108          HG22      ILE 108  -7.540   9.089  -6.683
  822   3HG2  ILE 108          HG23      ILE 108  -7.736  10.814  -6.368
  823   1HD1  ILE 108          HD11      ILE 108 -10.217   8.481  -6.483
  824   2HD1  ILE 108          HD12      ILE 108 -11.122   7.930  -5.073
  825   3HD1  ILE 108          HD13      ILE 108 -10.170   6.781  -6.014
  826    H    HIS 109           HN       HIS 109  -8.453  12.029  -3.235
  827    HA   HIS 109           HA       HIS 109  -6.666  13.769  -4.819
  828   1HB   HIS 109          HB2       HIS 109  -8.273  15.449  -4.266
  829   2HB   HIS 109          HB1       HIS 109  -9.213  13.973  -4.486
  830    HD1  HIS 109           HD1      HIS 109  -8.407  16.567  -2.012
  831    HD2  HIS 109           HD2      HIS 109  -9.920  12.683  -1.922
  832    HE1  HIS 109           HE1      HIS 109  -9.430  16.249   0.283
  833    H    GLN 110           HN       GLN 110  -6.257  12.195  -1.999
  834    HA   GLN 110           HA       GLN 110  -5.011  14.497  -0.548
  835   1HB   GLN 110          HB2       GLN 110  -5.848  11.703   0.289
  836   2HB   GLN 110          HB1       GLN 110  -5.093  12.877   1.368
  837   1HG   GLN 110          HG2       GLN 110  -7.010  14.465   0.630
  838   2HG   GLN 110          HG1       GLN 110  -7.807  12.998   0.062
  839   1HE2  GLN 110          HE21      GLN 110  -7.708  11.130   1.865
  840   2HE2  GLN 110          HE22      GLN 110  -8.087  11.641   3.440
  841    H    LEU 111           HN       LEU 111  -3.856  12.917  -2.905
  842    HA   LEU 111           HA       LEU 111  -1.806  11.168  -1.957
  843   1HB   LEU 111          HB2       LEU 111  -2.245  12.898  -4.389
  844   2HB   LEU 111          HB1       LEU 111  -0.742  12.002  -4.204
  845    HG   LEU 111           HG       LEU 111  -3.254  11.045  -5.167
  846   1HD1  LEU 111          HD11      LEU 111  -1.524  10.070  -6.254
  847   2HD1  LEU 111          HD12      LEU 111  -1.635   8.858  -4.976
  848   3HD1  LEU 111          HD13      LEU 111  -0.460  10.168  -4.851
  849   1HD2  LEU 111          HD21      LEU 111  -2.318   9.395  -2.809
  850   2HD2  LEU 111          HD22      LEU 111  -3.799   9.224  -3.750
  851   3HD2  LEU 111          HD23      LEU 111  -3.613  10.584  -2.643
  852    H    GLU 112           HN       GLU 112  -0.665  11.929  -0.274
  853    HA   GLU 112           HA       GLU 112   1.610  13.551  -0.538
  854   1HB   GLU 112          HB2       GLU 112   0.705  15.628   0.661
  855   2HB   GLU 112          HB1       GLU 112   0.171  15.427  -1.010
  856   1HG   GLU 112          HG2       GLU 112  -1.925  14.408  -0.230
  857   2HG   GLU 112          HG1       GLU 112  -1.390  14.570   1.444
  858    H    GLN 113           HN       GLN 113  -0.992  12.283   1.392
  859    HA   GLN 113           HA       GLN 113   0.355  12.621   3.986
  860   1HB   GLN 113          HB2       GLN 113  -2.063  11.084   2.989
  861   2HB   GLN 113          HB1       GLN 113  -1.588  11.146   4.687
  862   1HG   GLN 113          HG2       GLN 113  -1.886  13.537   4.759
  863   2HG   GLN 113          HG1       GLN 113  -2.120  13.614   3.012
  864   1HE2  GLN 113          HE21      GLN 113  -4.193  14.687   4.401
  865   2HE2  GLN 113          HE22      GLN 113  -5.525  13.636   4.458
  866    H    LEU 114           HN       LEU 114   0.844  10.573   1.372
  867    HA   LEU 114           HA       LEU 114   1.108   7.980   2.361
  868   1HB   LEU 114          HB2       LEU 114   2.729   9.609   0.402
  869   2HB   LEU 114          HB1       LEU 114   2.997   7.879   0.634
  870    HG   LEU 114           HG       LEU 114   0.211   8.165   0.398
  871   1HD1  LEU 114          HD11      LEU 114   1.635   9.696  -1.797
  872   2HD1  LEU 114          HD12      LEU 114   0.695  10.452  -0.512
  873   3HD1  LEU 114          HD13      LEU 114  -0.098   9.389  -1.674
  874   1HD2  LEU 114          HD21      LEU 114   2.294   7.331  -1.648
  875   2HD2  LEU 114          HD22      LEU 114   0.576   6.935  -1.725
  876   3HD2  LEU 114          HD23      LEU 114   1.574   6.287  -0.424
  877    HA   PRO 115           HA       PRO 115   5.542   9.008   3.930
  878   1HB   PRO 115          HB2       PRO 115   5.958  11.612   4.712
  879   2HB   PRO 115          HB1       PRO 115   6.394  10.993   3.105
  880   1HG   PRO 115          HG2       PRO 115   3.972  12.524   3.945
  881   2HG   PRO 115          HG1       PRO 115   4.977  12.713   2.498
  882   1HD   PRO 115          HD2       PRO 115   2.611  11.432   2.412
  883   2HD   PRO 115          HD1       PRO 115   3.993  10.917   1.413
  884    H    TYR 116           HN       TYR 116   3.248  11.414   5.307
  885    HA   TYR 116           HA       TYR 116   3.753  10.735   8.038
  886   1HB   TYR 116          HB2       TYR 116   2.392  12.539   8.204
  887   2HB   TYR 116          HB1       TYR 116   2.108  12.454   6.470
  888    HD1  TYR 116           HD1      TYR 116  -0.108  12.419   5.841
  889    HD2  TYR 116           HD2      TYR 116   1.038  10.531   9.524
  890    HE1  TYR 116           HE1      TYR 116  -2.476  11.808   6.259
  891    HE2  TYR 116           HE2      TYR 116  -1.331   9.914   9.941
  892    HH   TYR 116           HH       TYR 116  -3.925  11.212   8.081
  893    H    GLN 117           HN       GLN 117   1.532   9.469   5.602
  894    HA   GLN 117           HA       GLN 117   0.116   7.615   7.290
  895   1HB   GLN 117          HB2       GLN 117   0.679   7.905   4.338
  896   2HB   GLN 117          HB1       GLN 117  -0.279   6.558   4.956
  897   1HG   GLN 117          HG2       GLN 117  -0.890   9.472   5.531
  898   2HG   GLN 117          HG1       GLN 117  -1.666   8.533   4.253
  899   1HE2  GLN 117          HE21      GLN 117  -3.172   9.603   6.466
  900   2HE2  GLN 117          HE22      GLN 117  -3.737   8.300   7.396
  901    H    VAL 118           HN       VAL 118   3.036   7.372   5.287
  902    HA   VAL 118           HA       VAL 118   3.515   4.572   5.591
  903    HB   VAL 118           HB       VAL 118   5.122   7.046   5.006
  904   1HG1  VAL 118          HG11      VAL 118   6.267   4.269   5.442
  905   2HG1  VAL 118          HG12      VAL 118   6.674   5.729   6.345
  906   3HG1  VAL 118          HG13      VAL 118   7.127   5.586   4.646
  907   1HG2  VAL 118          HG21      VAL 118   3.688   5.831   3.306
  908   2HG2  VAL 118          HG22      VAL 118   4.780   4.454   3.471
  909   3HG2  VAL 118          HG23      VAL 118   5.384   5.992   2.851
  910    H    ASP 119           HN       ASP 119   4.693   7.367   7.506
  911    HA   ASP 119           HA       ASP 119   6.167   5.868   9.439
  912   1HB   ASP 119          HB2       ASP 119   4.668   8.508   9.505
  913   2HB   ASP 119          HB1       ASP 119   5.715   7.969  10.818
  914    H    ALA 120           HN       ALA 120   2.755   6.867   9.290
  915    HA   ALA 120           HA       ALA 120   2.007   5.743  11.859
  916   1HB   ALA 120          HB1       ALA 120   0.510   7.348  11.110
  917   2HB   ALA 120          HB2       ALA 120  -0.303   5.911  10.486
  918   3HB   ALA 120          HB3       ALA 120   0.709   6.886   9.419
  919    H    ALA 121           HN       ALA 121   1.749   4.646   8.469
  920    HA   ALA 121           HA       ALA 121   0.407   2.185   8.926
  921   1HB   ALA 121          HB1       ALA 121   0.676   3.071   6.706
  922   2HB   ALA 121          HB2       ALA 121   1.636   1.592   6.743
  923   3HB   ALA 121          HB3       ALA 121   2.429   3.161   6.885
  924    H    LEU 122           HN       LEU 122   3.833   3.062   9.142
  925    HA   LEU 122           HA       LEU 122   4.902   0.421   9.448
  926   1HB   LEU 122          HB2       LEU 122   5.747   3.170  10.413
  927   2HB   LEU 122          HB1       LEU 122   6.780   1.747  10.528
  928    HG   LEU 122           HG       LEU 122   5.553   2.483   7.885
  929   1HD1  LEU 122          HD11      LEU 122   6.861   4.306   7.606
  930   2HD1  LEU 122          HD12      LEU 122   8.273   3.466   8.247
  931   3HD1  LEU 122          HD13      LEU 122   7.146   4.260   9.346
  932   1HD2  LEU 122          HD21      LEU 122   6.704   0.553   7.493
  933   2HD2  LEU 122          HD22      LEU 122   7.666   0.722   8.961
  934   3HD2  LEU 122          HD23      LEU 122   8.125   1.600   7.502
  935    H    ALA 123           HN       ALA 123   4.045   2.888  11.912
  936    HA   ALA 123           HA       ALA 123   4.535   1.243  14.195
  937   1HB   ALA 123          HB1       ALA 123   4.233   3.726  14.136
  938   2HB   ALA 123          HB2       ALA 123   3.202   2.954  15.341
  939   3HB   ALA 123          HB3       ALA 123   2.517   3.479  13.804
  940    H    GLU 124           HN       GLU 124   1.582   1.805  12.272
  941    HA   GLU 124           HA       GLU 124  -0.226   0.241  13.828
  942   1HB   GLU 124          HB2       GLU 124  -0.774   1.839  11.991
  943   2HB   GLU 124          HB1       GLU 124  -0.088   0.705  10.828
  944   1HG   GLU 124          HG2       GLU 124  -2.435   0.294  10.797
  945   2HG   GLU 124          HG1       GLU 124  -1.743  -1.016  11.756
  946    H    PHE 125           HN       PHE 125   1.992  -0.628  11.192
  947    HA   PHE 125           HA       PHE 125   1.152  -3.338  10.847
  948   1HB   PHE 125          HB2       PHE 125   2.546  -1.934   9.322
  949   2HB   PHE 125          HB1       PHE 125   3.879  -2.071  10.469
  950    HD1  PHE 125           HD1      PHE 125   5.091  -4.142  10.756
  951    HD2  PHE 125           HD2      PHE 125   1.737  -3.908   8.086
  952    HE1  PHE 125           HE1      PHE 125   5.721  -6.332   9.779
  953    HE2  PHE 125           HE2      PHE 125   2.365  -6.097   7.106
  954    HZ   PHE 125           HZ       PHE 125   4.357  -7.309   7.952
  955    H    LEU 126           HN       LEU 126   3.604  -1.889  13.005
  956    HA   LEU 126           HA       LEU 126   4.639  -4.416  13.955
  957   1HB   LEU 126          HB2       LEU 126   4.634  -1.621  15.140
  958   2HB   LEU 126          HB1       LEU 126   5.673  -2.943  15.666
  959    HG   LEU 126           HG       LEU 126   5.623  -1.777  12.868
  960   1HD1  LEU 126          HD11      LEU 126   7.743  -0.768  13.422
  961   2HD1  LEU 126          HD12      LEU 126   7.782  -1.586  14.986
  962   3HD1  LEU 126          HD13      LEU 126   6.602  -0.310  14.687
  963   1HD2  LEU 126          HD21      LEU 126   6.365  -3.952  12.538
  964   2HD2  LEU 126          HD22      LEU 126   7.009  -4.089  14.174
  965   3HD2  LEU 126          HD23      LEU 126   7.890  -3.168  12.954
  966    H    ARG 127           HN       ARG 127   2.383  -2.040  15.398
  967    HA   ARG 127           HA       ARG 127   1.800  -3.499  17.768
  968   1HB   ARG 127          HB2       ARG 127   0.191  -1.545  16.098
  969   2HB   ARG 127          HB1       ARG 127  -0.239  -2.024  17.742
  970   1HG   ARG 127          HG2       ARG 127   2.065  -1.268  18.462
  971   2HG   ARG 127          HG1       ARG 127   2.275  -0.592  16.847
  972   1HD   ARG 127          HD2       ARG 127   0.059   0.162  18.791
  973   2HD   ARG 127          HD1       ARG 127   1.476   1.156  18.387
  974    HE   ARG 127           HE       ARG 127   0.602   1.470  16.171
  975   1HH1  ARG 127          HH11      ARG 127  -1.354  -0.604  18.147
  976   2HH1  ARG 127          HH12      ARG 127  -2.716  -0.528  17.076
  977   1HH2  ARG 127          HH21      ARG 127  -1.166   1.552  14.793
  978   2HH2  ARG 127          HH22      ARG 127  -2.612   0.688  15.195
  979    H    LEU 128           HN       LEU 128   0.411  -3.707  14.504
  980    HA   LEU 128           HA       LEU 128  -1.652  -5.625  15.381
  981   1HB   LEU 128          HB2       LEU 128  -0.911  -4.070  12.961
  982   2HB   LEU 128          HB1       LEU 128  -1.747  -5.597  12.671
  983    HG   LEU 128           HG       LEU 128  -3.471  -4.864  14.378
  984   1HD1  LEU 128          HD11      LEU 128  -2.086  -3.172  15.509
  985   2HD1  LEU 128          HD12      LEU 128  -3.560  -2.441  14.873
  986   3HD1  LEU 128          HD13      LEU 128  -2.028  -2.218  14.027
  987   1HD2  LEU 128          HD21      LEU 128  -4.541  -3.207  12.801
  988   2HD2  LEU 128          HD22      LEU 128  -3.994  -4.690  12.019
  989   3HD2  LEU 128          HD23      LEU 128  -3.042  -3.212  11.870
  990    H    ALA 129           HN       ALA 129   1.626  -5.844  14.637
  991    HA   ALA 129           HA       ALA 129   1.631  -8.308  13.088
  992   1HB   ALA 129          HB1       ALA 129   3.428  -6.334  13.904
  993   2HB   ALA 129          HB2       ALA 129   3.844  -7.799  13.016
  994   3HB   ALA 129          HB3       ALA 129   3.964  -7.772  14.774
  995    HA   PRO 130           HA       PRO 130   2.372 -10.146  12.793
  996   1HB   PRO 130          HB2       PRO 130   1.001 -12.506  12.613
  997   2HB   PRO 130          HB1       PRO 130   2.648 -12.408  13.268
  998   1HG   PRO 130          HG2       PRO 130   0.049 -12.595  14.705
  999   2HG   PRO 130          HG1       PRO 130   1.600 -13.365  15.072
 1000   1HD   PRO 130          HD2       PRO 130   0.669 -11.164  16.380
 1001   2HD   PRO 130          HD1       PRO 130   2.396 -11.533  16.186
 1002    H    VAL 131           HN       VAL 131   1.082  -9.048  11.345
 1003    HA   VAL 131           HA       VAL 131  -1.635  -8.332  11.890
 1004    HB   VAL 131           HB       VAL 131  -0.371  -8.483   9.156
 1005   1HG1  VAL 131          HG11      VAL 131  -2.117  -6.389  10.478
 1006   2HG1  VAL 131          HG12      VAL 131  -2.727  -7.682   9.444
 1007   3HG1  VAL 131          HG13      VAL 131  -1.651  -6.453   8.780
 1008   1HG2  VAL 131          HG21      VAL 131   1.408  -7.373  10.048
 1009   2HG2  VAL 131          HG22      VAL 131   0.546  -7.007  11.543
 1010   3HG2  VAL 131          HG23      VAL 131   0.305  -5.998  10.117
 1011    H    GLU 132           HN       GLU 132  -3.535  -9.006  10.665
 1012    HA   GLU 132           HA       GLU 132  -3.526 -11.926  10.084
 1013   1HB   GLU 132          HB2       GLU 132  -5.707  -9.855  10.519
 1014   2HB   GLU 132          HB1       GLU 132  -5.997 -11.581  10.300
 1015   1HG   GLU 132          HG2       GLU 132  -4.646 -12.074  12.298
 1016   2HG   GLU 132          HG1       GLU 132  -4.325 -10.353  12.513
 1017    H    THR 133           HN       THR 133  -2.672 -11.916   7.913
 1018    HA   THR 133           HA       THR 133  -3.874 -10.172   5.874
 1019    HB   THR 133           HB       THR 133  -2.337 -11.896   4.506
 1020    HG1  THR 133           HG1      THR 133  -0.772 -11.945   6.717
 1021   1HG2  THR 133          HG21      THR 133  -1.991  -9.447   4.826
 1022   2HG2  THR 133          HG22      THR 133  -0.482 -10.360   4.875
 1023   3HG2  THR 133          HG23      THR 133  -1.216  -9.788   6.374
 1024    H    MET 134           HN       MET 134  -6.116 -11.079   6.292
 1025    HA   MET 134           HA       MET 134  -6.858 -13.777   5.790
 1026   1HB   MET 134          HB2       MET 134  -8.275 -11.125   5.371
 1027   2HB   MET 134          HB1       MET 134  -9.090 -12.688   5.335
 1028   1HG   MET 134          HG2       MET 134  -8.255 -13.136   7.644
 1029   2HG   MET 134          HG1       MET 134  -7.557 -11.517   7.675
 1030   1HE   MET 134          HE1       MET 134 -10.280  -9.484   6.437
 1031   2HE   MET 134          HE2       MET 134  -8.620  -9.605   7.015
 1032   3HE   MET 134          HE3       MET 134  -9.892  -9.076   8.114
 1033    H    ALA 135           HN       ALA 135  -6.156 -11.112   3.581
 1034    HA   ALA 135           HA       ALA 135  -5.934 -11.085   1.228
 1035   1HB   ALA 135          HB1       ALA 135  -5.937 -14.100   1.513
 1036   2HB   ALA 135          HB2       ALA 135  -4.549 -13.111   1.967
 1037   3HB   ALA 135          HB3       ALA 135  -5.107 -13.130   0.294