NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
11982 1sbj cing 1-original 2 XPLOR/CNS distance NOE simple


 
!NH to NHs
!Helix E
assi (resi 93 and name HN) (resi 94 and name HN)     4.0  2.2  1.2
!assi (resi 93 and name HN) (resi 96 and name HN)     4.0  2.2  1.2 
assi (resi 94 and name HN) (resi 95 and name HN)     2.5  0.8  0.3
assi (resi 94 and name HN) (resi 96 and name HN)     4.0  2.2  1.2
assi (resi 95 and name HN) (resi 96 and name HN)     2.5  0.8  0.3
assi (resi 96 and name HN) (resi 97 and name HN)     2.5  0.8  0.3
assi (resi 96 and name HN) (resi 99 and name HN)     4.8  3.0  1.0
assi (resi 97 and name HN) (resi 94 and name HN)     4.8  3.0  1.0
assi (resi 97 and name HN) (resi 98 and name HN)     2.5  0.8  0.3
assi (resi 98 and name HN) (resi 100 and name HN)    4.0  2.2  1.2 
assi (resi 98 and name HN) (resi 99 and name HN)     2.5  0.8  0.3
assi (resi 98 and name HN) (resi 96 and name HN)     4.0  2.2  1.2
assi (resi 99 and name HN) (resi 100 and name HN)    3.2  1.2  0.5
assi (resi 100 and name HN) (resi 101 and name HN)   2.5  0.8  0.3
assi (resi 101 and name HN) (resi 98 and name HN)    4.8  3.0  1.0
assi (resi 101 and name HN) (resi 102 and name HN)   3.2  1.2  0.5
assi (resi 102 and name HN) (resi 103 and name HN)   2.5  0.8  0.3
assi (resi 103 and name HN) (resi 104 and name HN)   2.5  0.8  0.3
!Ca2+ loop
assi (resi 104 and name HN) (resi 105 and name HN)   2.5  0.8  0.3
assi (resi 105 and name HN) (resi 103 and name HN)   4.0  2.2  1.2
assi (resi 105 and name HN) (resi 106 and name HN)   4.0  2.2  1.2
assi (resi 106 and name HN) (resi 107 and name HN)   2.5  0.8  0.3
assi (resi 107 and name HN) (resi 108 and name HN)   2.5  0.8  0.3
assi (resi 107 and name HN) (resi 109 and name HN)   4.8  3.0  1.0
assi (resi 108 and name HN) (resi 106 and name HN)   4.0  2.2  1.2
assi (resi 108 and name HN) (resi 109 and name HN)   3.2  1.2  0.5
assi (resi 108 and name HN) (resi 110 and name HN)   4.8  3.0  1.0
assi (resi 109 and name HN) (resi 110 and name HN)   2.5  0.8  0.3
assi (resi 109 and name HN) (resi 111 and name HN)   3.2  1.2  0.5
assi (resi 110 and name HN) (resi 111 and name HN)   2.5  0.8  0.3
!Beta-sheet
assi (resi 111 and name HN) (resi 112 and name HN)   4.0  2.2  1.2
assi (resi 112 and name HN) (resi 113 and name HN)   4.0  2.2  1.2
assi (resi 112 and name HN) (resi 148 and name HN)   2.5  0.8  0.3
assi (resi 113 and name HN) (resi 116 and name HN)   3.2  1.2  0.5
assi (resi 113 and name HN) (resi 114 and name HN)   4.0  2.2  1.2 
!Helix F
assi (resi 114 and name HN) (resi 115 and name HN)   2.5  0.8  0.3 
!assi (resi 114 and name HN) (resi 148 and name HN)   5.8  4.0  1.2
assi (resi 115 and name HN) (resi 116 and name HN)   2.5  0.8  0.3
assi (resi 116 and name HN) (resi 118 and name HN)   4.0  2.2  1.2
assi (resi 116 and name HN) (resi 117 and name HN)   2.5  0.8  0.3
assi (resi 117 and name HN) (resi 119 and name HN)   4.0  2.2  1.2
assi (resi 117 and name HN) (resi 115 and name HN)   4.0  2.2  1.2
assi (resi 117 and name HN) (resi 120 and name HN)   4.8  3.0  1.0
assi (resi 117 and name HN) (resi 118 and name HN)   2.5  0.8  0.3
assi (resi 119 and name HN) (resi 118 and name HN)   2.5  0.8  0.3
assi (resi 119 and name HN) (resi 120 and name HN)   2.5  0.8  0.3   
assi (resi 119 and name HN) (resi 122 and name HN)   4.8  3.0  1.0
assi (resi 120 and name HN) (resi 121 and name HN)   2.5  0.8  0.3
assi (resi 121 and name HN) (resi 122 and name HN)   2.5  0.8  0.3
assi (resi 122 and name HN) (resi 123 and name HN)   2.5  0.8  0.3
assi (resi 122 and name HN) (resi 124 and name HN)   4.0  2.2  1.2
assi (resi 123 and name HN) (resi 124 and name HN)   2.5  0.8  0.3 
assi (resi 124 and name HN) (resi 125 and name HN)   4.0  2.2  1.2  
!loop
assi (resi 126 and name HN) (resi 127 and name HN)   4.0  2.2  1.2
assi (resi 127 and name HN) (resi 128 and name HN)   4.0  2.2  1.2
assi (resi 128 and name HN) (resi 129 and name HN)   5.8  4.0  1.2
assi (resi 129 and name HN) (resi 131 and name HN)   4.8  3.0  1.0
assi (resi 129 and name HN) (resi 130 and name HN)   4.8  3.0  1.0  
!Helix G
assi (resi 130 and name HN) (resi 131 and name HN)   2.5  0.8  0.3 
assi (resi 130 and name HN) (resi 132 and name HN)   4.8  3.0  1.0
assi (resi 131 and name HN) (resi 133 and name HN)   4.0  2.2  1.2 
assi (resi 131 and name HN) (resi 132 and name HN)   2.5  0.8  0.3
assi (resi 132 and name HN) (resi 133 and name HN)   2.5  0.8  0.3 
assi (resi 133 and name HN) (resi 134 and name HN)   2.5  0.8  0.3 
assi (resi 133 and name HN) (resi 135 and name HN)   4.8  3.0  1.0
assi (resi 133 and name HN) (resi 129 and name HN)   4.8  3.0  1.0
assi (resi 134 and name HN) (resi 135 and name HN)   2.5  0.8  0.3
assi (resi 134 and name HN) (resi 131 and name HN)   4.8  3.0  1.0
assi (resi 135 and name HN) (resi 136 and name HN)   2.5  0.8  0.3
assi (resi 136 and name HN) (resi 139 and name HN)   4.8  3.0  1.0
assi (resi 136 and name HN) (resi 137 and name HN)   2.5  0.8  0.3
assi (resi 137 and name HN) (resi 135 and name HN)   4.0  2.2  1.2
assi (resi 137 and name HN) (resi 138 and name HN)   2.5  0.8  0.3
assi (resi 139 and name HN) (resi 141 and name HN)   4.0  2.2  1.2
assi (resi 139 and name HN) (resi 138 and name HN)   3.2  1.2  0.5
assi (resi 139 and name HN) (resi 137 and name HN)   4.8  3.0  1.0
!Ca2+ loop
assi (resi 140 and name HN) (resi 141 and name HN)   2.5  0.8  0.3
assi (resi 140 and name HN) (resi 137 and name HN)   4.8  3.0  1.0
assi (resi 140 and name HN) (resi 139 and name HN)   2.5  0.8  0.3
assi (resi 141 and name HN) (resi 143 and name HN)   5.8  4.0  1.2
assi (resi 141 and name HN) (resi 142 and name HN)   4.8  3.0  1.0
assi (resi 142 and name HN) (resi 143 and name HN)   2.5  0.8  0.3
assi (resi 143 and name HN) (resi 144 and name HN)   2.5  0.8  0.3
assi (resi 143 and name HN) (resi 145 and name HN)   4.0  2.2  1.2
assi (resi 144 and name HN) (resi 146 and name HN)   4.8  3.0  1.0
assi (resi 144 and name HN) (resi 145 and name HN)   3.2  1.2  0.5
assi (resi 145 and name HN) (resi 146 and name HN)   2.5  0.8  0.3
assi (resi 145 and name HN) (resi 147 and name HN)   4.0  2.2  1.2
assi (resi 146 and name HN) (resi 147 and name HN)   2.5  0.8  0.3
!Beta-sheet
assi (resi 149 and name HN) (resi 152 and name HN)   3.2  1.2  0.5 
assi (resi 149 and name HN) (resi 150 and name HN)   4.8  3.0  1.0
!Helix H
assi (resi 150 and name HN) (resi 151 and name HN)   3.2  1.2  0.5
assi (resi 151 and name HN) (resi 152 and name HN)   2.5  0.8  0.3
assi (resi 151 and name HN) (resi 153 and name HN)   4.0  2.2  1.2 
assi (resi 152 and name HN) (resi 153 and name HN)   3.2  1.2  0.5
assi (resi 152 and name HN) (resi 155 and name HN)   5.8  4.0  1.2
assi (resi 153 and name HN) (resi 156 and name HN)   4.8  3.0  1.0
assi (resi 153 and name HN) (resi 154 and name HN)   2.5  0.8  0.3
assi (resi 153 and name HN) (resi 155 and name HN)   4.8  3.0  1.0
assi (resi 154 and name HN) (resi 155 and name HN)   2.5  0.8  0.3
assi (resi 154 and name HN) (resi 152 and name HN)   4.0  2.2  1.2 
assi (resi 155 and name HN) (resi 156 and name HN)   2.5  0.8  0.3
assi (resi 155 and name HN) (resi 157 and name HN)   4.0  2.2  1.2
assi (resi 155 and name HN) (resi 158 and name HN)   4.8  3.0  1.0
assi (resi 156 and name HN) (resi 158 and name HN)   4.0  2.2  1.2 
assi (resi 156 and name HN) (resi 157 and name HN)   3.2  1.2  0.5
assi (resi 156 and name HN) (resi 154 and name HN)   4.0  2.2  1.2 
!cterm part
assi (resi 157 and name HN) (resi 158 and name HN)   2.5  0.8  0.3  
assi (resi 158 and name HN) (resi 159 and name HN)   4.0  2.2  1.2
assi (resi 158 and name HN) (resi 160 and name HN)   5.8  4.0  1.2
assi (resi 159 and name HN) (resi 160 and name HN)   3.2  1.2  0.5
assi (resi 160 and name HN) (resi 161 and name HN)   3.2  1.2  0.5 

!Ha to NHs     
assi (resi 89 and name HA) (resi 90 and name HN)     3.0  1.2  0.6 
assi (resi 89 and name HA) (resi 89 and name HN)     3.0  1.2  0.6
assi (resi 90 and name HA) (resi 91 and name HN)     2.5  0.8  0.3
assi (resi 91 and name HA#) (resi 91 and name HN)    2.5  0.8  0.3
assi (resi 91 and name HA#) (resi 92 and name HN)    3.0  1.2  0.6
assi (resi 92 and name HA)  (resi 92 and name HN)    3.0  1.2  0.6 
assi (resi 92 and name HA) (resi 93 and name HN)     2.5  0.8  0.3
!Helix E
assi (resi 95 and name HA) (resi 93 and name HN)     5.8  4.0  1.2
assi (resi 95 and name HA) (resi 94 and name HN)     4.8  3.0  1.0
assi (resi 95 and name HA) (resi 95 and name HN)     3.0  1.2  0.6
assi (resi 94 and name HA) (resi 95 and name HN)     3.8  2.0  0.8
assi (resi 94 and name HA) (resi 96 and name HN)     4.8  3.0  1.0
assi (resi 96 and name HA) (resi 96 and name HN)     3.0  1.2  0.6
assi (resi 97 and name HA) (resi 96 and name HN)     5.8  4.0  1.2
assi (resi 96 and name HA) (resi 97 and name HN)     3.8  2.0  0.8
assi (resi 97 and name HA) (resi 98 and name HN)     3.8  2.0  0.8
assi (resi 98 and name HA) (resi 98 and name HN)     3.0  1.2  0.6
assi (resi 96 and name HA) (resi 99 and name HN)     3.8  2.0  0.8
assi (resi 97 and name HA) (resi 99 and name HN)     3.8  2.0  0.8
assi (resi 98 and name HA) (resi 99 and name HN)     3.8  2.0  0.8
assi (resi 98 and name HA) (resi 100 and name HN)    3.8  2.0  0.8
assi (resi 102 and name HA) (resi 101 and name HN)   5.8  4.0  1.2
assi (resi 98 and name HA) (resi 101 and name HN)    3.8  2.0  0.8
assi (resi 102 and name HA) (resi 102 and name HN)   3.0  1.2  0.6
assi (resi 101 and name HA) (resi 102 and name HN)   3.8  2.0  0.8   
assi (resi 100 and name HA) (resi 102 and name HN)   4.8  3.0  1.0
assi (resi 103 and name HA) (resi 103 and name HN)   3.0  1.2  0.6    
assi (resi 100 and name HA) (resi 103 and name HN)   3.8  2.0  0.8    
assi (resi 102 and name HA) (resi 103 and name HN)   3.8  2.0  0.8 
!Ca2+ loop
assi (resi 102 and name HA) (resi 104 and name HN)   3.8  2.0  0.8
assi (resi 104 and name HA) (resi 104 and name HN)   3.0  1.2  0.6 
assi (resi 101 and name HA) (resi 104 and name HN)   3.0  1.2  0.6 
assi (resi 105 and name HA) (resi 105 and name HN)   3.0  1.2  0.6
assi (resi 104 and name HA) (resi 105 and name HN)   3.8  2.0  0.8  
assi (resi 102 and name HA) (resi 105 and name HN)   3.0  1.2  0.6
assi (resi 105 and name HA) (resi 106 and name HN)   2.5  0.8  0.3 
assi (resi 106 and name HA) (resi 106 and name HN)   3.0  1.2  0.6 
assi (resi 116 and name HA) (resi 106 and name HN)   4.8  3.0  1.0   
assi (resi 107 and name HA) (resi 107 and name HN)   3.0  1.2  0.6
assi (resi 105 and name HA) (resi 107 and name HN)   3.8  2.0  0.8
assi (resi 106 and name HA) (resi 107 and name HN)   3.8  2.0  0.8 
assi (resi 105 and name HA) (resi 108 and name HN)   3.8  2.0  0.8
assi (resi 107 and name HA) (resi 108 and name HN)   3.8  2.0  0.8
assi (resi 108 and name HA) (resi 108 and name HN)   2.5  0.8  0.3
assi (resi 109 and name HA) (resi 109 and name HN)   3.0  1.2  0.6
assi (resi 108 and name HA) (resi 109 and name HN)   2.5  0.8  0.3
assi (resi 110 and name HA#) (resi 109 and name HN)  4.8  3.0  1.0
assi (resi 108 and name HA) (resi 110 and name HN)   3.0  1.2  2.6
assi (resi 109 and name HA) (resi 110 and name HN)   3.0  1.2  2.6
assi (resi 110 and name HA#) (resi 110 and name HN)  3.0  1.2  2.6
!Beta-sheet
assi (resi 111 and name HA) (resi 111 and name HN)   3.0  1.2  0.6
assi (resi 149 and name HA) (resi 111 and name HN)   4.8  3.0  1.0
assi (resi 109 and name HA) (resi 111 and name HN)   4.8  3.0  1.0 
assi (resi 108 and name HA)  (resi 111 and name HN)  4.8  3.0  1.0 
assi (resi 110 and name HA#) (resi 111 and name HN)  3.0  1.2  0.6
assi (resi 111 and name HA) (resi 112 and name HN)   2.5  0.8  0.3
assi (resi 149 and name HA) (resi 112 and name HN)   3.8  2.0  0.8
assi (resi 112 and name HA) (resi 112 and name HN)   3.0  1.2  0.6
assi (resi 113 and name HA) (resi 112 and name HN)   4.8  3.0  1.0
assi (resi 112 and name HA) (resi 113 and name HN)   2.5  0.8  0.3
assi (resi 113 and name HA) (resi 113 and name HN)   3.0  1.2  0.6 
assi (resi 105 and name HA) (resi 113 and name HN)   4.8  3.0  1.0
assi (resi 114 and name HA) (resi 113 and name HN)   5.8  4.0  1.2
!Helix F
assi (resi 113 and name HA) (resi 114 and name HN)   2.5  0.8  0.3
assi (resi 114 and name HA) (resi 114 and name HN)   2.5  0.8  0.3
assi (resi 113 and name HA) (resi 115 and name HN)   4.8  3.0  1.0   
assi (resi 115 and name HA) (resi 115 and name HN)   3.0  1.2  0.6
assi (resi 114 and name HA) (resi 115 and name HN)   3.8  2.0  0.8
assi (resi 116 and name HA) (resi 115 and name HN)   4.8  3.0  1.0 
assi (resi 113 and name HA) (resi 116 and name HN)   4.8  3.0  1.0     
assi (resi 115 and name HA) (resi 116 and name HN)   3.8  2.0  0.8 
assi (resi 116 and name HA) (resi 113 and name HN)   4.8  3.0  1.0 
assi (resi 116 and name HA) (resi 116 and name HN)   3.0  1.2  0.6
assi (resi 116 and name HA) (resi 118 and name HN)   4.8  3.0  1.0 
assi (resi 118 and name HA) (resi 119 and name HN)   3.8  2.0  0.8
assi (resi 116 and name HA) (resi 119 and name HN)   3.8  2.0  0.6
assi (resi 119 and name HA) (resi 119 and name HN)   3.0  1.2  0.6  
assi (resi 120 and name HA) (resi 120 and name HN)   3.0  1.2  0.6 
assi (resi 119 and name HA) (resi 120 and name HN)   3.8  2.0  0.8
assi (resi 116 and name HA) (resi 120 and name HN)   4.8  3.0  1.0
assi (resi 121 and name HA) (resi 121 and name HN)   3.0  1.2  0.6 
assi (resi 120 and name HA) (resi 121 and name HN)   3.8  2.0  0.8
assi (resi 122 and name HA) (resi 121 and name HN)   4.8  3.0  1.0
assi (resi 119 and name HA) (resi 121 and name HN)   4.8  3.0  1.0
assi (resi 122 and name HA) (resi 122 and name HN)   3.0  1.2  0.6
assi (resi 123 and name HA) (resi 122 and name HN)   4.8  3.0  1.0
assi (resi 119 and name HA) (resi 122 and name HN)   3.8  2.0  0.8
assi (resi 122 and name HA) (resi 123 and name HN)   3.8  2.0  0.8
assi (resi 123 and name HA) (resi 123 and name HN)   3.0  1.2  0.6
assi (resi 119 and name HA) (resi 123 and name HN)   4.8  3.0  1.0
assi (resi 124 and name HA) (resi 124 and name HN)   3.0  1.2  0.6
assi (resi 121 and name HA) (resi 124 and name HN)   3.0  1.2  0.6
assi (resi 122 and name HA) (resi 124 and name HN)   3.8  2.0  0.8
assi (resi 123 and name HA) (resi 124 and name HN)   3.8  2.0  0.8
assi (resi 125 and name HA#) (resi 124 and name HN)  4.8  3.0  2.0
!loop
assi (resi 125 and name HA#) (resi 125 and name HN)  3.0  1.2  0.6
assi (resi 124 and name HA) (resi 125 and name HN)   2.5  0.8  0.3
assi (resi 126 and name HA) (resi 126 and name HN)   3.0  1.2  0.6
assi (resi 124 and name HA) (resi 126 and name HN)   3.8  2.0  0.8
assi (resi 125 and name HA#) (resi 126 and name HN)  3.0  1.2  0.6
assi (resi 127 and name HA) (resi 127 and name HN)   3.0  1.2  0.6 
assi (resi 126 and name HA) (resi 127 and name HN)   3.0  1.2  0.6   
assi (resi 127 and name HA) (resi 128 and name HN)   2.5  0.8  0.3
assi (resi 126 and name HA) (resi 128 and name HN)   5.8  4.0  1.2
assi (resi 132 and name HA) (resi 129 and name HN)   5.8  4.0  1.2
assi (resi 129 and name HA) (resi 129 and name HN)   3.0  1.2  0.6
!Helix G  
assi (resi 129 and name HA) (resi 130 and name HN)   2.5  0.8  0.3
assi (resi 130 and name HA) (resi 130 and name HN)   3.0  1.2  0.6
assi (resi 131 and name HA) (resi 131 and name HN)   3.0  1.2  0.6
assi (resi 130 and name HA) (resi 131 and name HN)   3.8  2.0  0.8
assi (resi 132 and name HA) (resi 131 and name HN)   4.8  3.0  1.0
assi (resi 132 and name HA) (resi 132 and name HN)   3.0  1.2  0.6
assi (resi 131 and name HA) (resi 132 and name HN)   3.8  2.0  0.8 
assi (resi 130 and name HA) (resi 132 and name HN)   4.8  3.0  1.0
assi (resi 129 and name HA) (resi 132 and name HN)   4.8  3.0  1.0
assi (resi 129 and name HA) (resi 133 and name HN)   4.8  3.0  1.0
assi (resi 132 and name HA) (resi 133 and name HN)   3.8  2.0  0.8
assi (resi 130 and name HA) (resi 133 and name HN)   3.8  2.0  0.8
assi (resi 133 and name HA) (resi 133 and name HN)   3.0  1.2  0.6
assi (resi 131 and name HA) (resi 133 and name HN)   4.8  3.0  1.0
assi (resi 134 and name HA) (resi 133 and name HN)   5.8  4.0  1.2
assi (resi 132 and name HA) (resi 134 and name HN)   4.8  3.0  1.0
assi (resi 134 and name HA) (resi 134 and name HN)   3.0  1.2  0.6
assi (resi 133 and name HA) (resi 134 and name HN)   3.8  2.0  0.8
assi (resi 131 and name HA) (resi 134 and name HN)   3.8  2.0  0.8
assi (resi 135 and name HA) (resi 135 and name HN)   3.0  1.2  0.6 
assi (resi 132 and name HA) (resi 135 and name HN)   3.8  2.0  0.8 
assi (resi 131 and name HA) (resi 135 and name HN)   4.8  3.0  1.0     
assi (resi 136 and name HA) (resi 136 and name HN)   3.0  1.2  0.6
assi (resi 135 and name HA) (resi 136 and name HN)   3.8  2.0  0.8
assi (resi 133 and name HA) (resi 136 and name HN)   3.8  2.0  0.8  
assi (resi 137 and name HA) (resi 137 and name HN)   3.0  1.2  0.6
assi (resi 134 and name HA) (resi 137 and name HN)   3.8  2.0  0.8
assi (resi 133 and name HA) (resi 137 and name HN)   4.8  3.0  1.0
assi (resi 136 and name HA) (resi 137 and name HN)   3.8  2.0  0.8
assi (resi 139 and name HA) (resi 138 and name HN)   5.8  4.0  1.2
assi (resi 138 and name HA) (resi 138 and name HN)   3.0  1.2  0.6
assi (resi 137 and name HA) (resi 138 and name HN)   3.8  2.0  0.8
assi (resi 140 and name HA#) (resi 139 and name HN)  4.8  3.0  1.0
assi (resi 139 and name HA) (resi 139 and name HN)   3.0  1.2  0.6
assi (resi 138 and name HA) (resi 139 and name HN)   3.8  2.0  0.8

!Ca2+ loop   
assi (resi 140 and name HA#) (resi 140 and name HN)  2.5  0.8  0.3 
assi (resi 137 and name HA) (resi 140 and name HN)   3.8  2.0  0.8
assi (resi 139 and name HA) (resi 140 and name HN)   3.8  2.0  0.8
assi (resi 141 and name HA) (resi 141 and name HN)   3.0  1.2  0.6
assi (resi 137 and name HA) (resi 141 and name HN)   3.8  2.0  0.8
assi (resi 138 and name HA) (resi 141 and name HN)   3.8  2.0  0.8
assi (resi 139 and name HA) (resi 141 and name HN)   3.8  2.0  0.8
assi (resi 140 and name HA#) (resi 141 and name HN)  3.0  1.2  0.6
assi (resi 141 and name HA) (resi 142 and name HN)   2.5  0.8  0.3 
assi (resi 142 and name HA) (resi 142 and name HN)   3.0  1.2  0.6
assi (resi 143 and name HA) (resi 142 and name HN)   4.8  3.0  1.0
assi (resi 144 and name HA) (resi 143 and name HN)   3.8  2.0  0.8  
assi (resi 143 and name HA) (resi 143 and name HN)   3.0  1.2  0.6   
assi (resi 142 and name HA) (resi 143 and name HN)   3.8  2.0  0.8 
assi (resi 144 and name HA) (resi 144 and name HN)   2.5  0.8  0.3
assi (resi 143 and name HA) (resi 144 and name HN)   3.0  1.2  0.6 
assi (resi 142 and name HA) (resi 144 and name HN)   3.8  2.0  0.8
assi (resi 145 and name HA) (resi 145 and name HN)   3.0  1.2  0.6
assi (resi 144 and name HA) (resi 145 and name HN)   3.0  1.2  0.6
assi (resi 143 and name HA) (resi 145 and name HN)   4.8  3.0  1.0
assi (resi 146 and name HA#) (resi 146 and name HN)  2.5  0.8  0.3
assi (resi 144 and name HA) (resi 146 and name HN)   3.0  1.2  0.6 
assi (resi 145 and name HA) (resi 146 and name HN)   3.8  2.0  0.8
!Beta-sheet
assi (resi 147 and name HA) (resi 147 and name HN)   3.0  1.2  0.6  
assi (resi 144 and name HA) (resi 147 and name HN)   5.8  4.0  1.2
assi (resi 145 and name HA) (resi 147 and name HN)   4.8  3.0  1.0
assi (resi 146 and name HA#) (resi 147 and name HN)  3.8  2.0  0.8   
assi (resi 111 and name HA) (resi 148 and name HN)   3.8  2.0  0.8 
assi (resi 148 and name HA) (resi 148 and name HN)   3.0  1.2  0.6
assi (resi 113 and name HA) (resi 148 and name HN)   3.8  2.0  0.8
assi (resi 147 and name HA) (resi 148 and name HN)   2.5  0.8  0.3 
assi (resi 149 and name HA) (resi 149 and name HN)   3.0  1.2  0.6
assi (resi 148 and name HA) (resi 149 and name HN)   2.5  0.8  0.3
assi (resi 152 and name HA) (resi 149 and name HN)   4.8  3.0  1.0

!Helix H
assi (resi 149 and name HA) (resi 150 and name HN)   2.5  0.8  0.3 
assi (resi 150 and name HA) (resi 150 and name HN)   3.0  1.2  0.6
assi (resi 149 and name HA) (resi 151 and name HN)   4.8  3.0  1.0
assi (resi 150 and name HA) (resi 151 and name HN)   3.8  2.0  0.8
assi (resi 151 and name HA) (resi 151 and name HN)   3.0  1.2  0.6 
assi (resi 151 and name HA) (resi 152 and name HN)   3.8  2.0  0.8
assi (resi 152 and name HA) (resi 152 and name HN)   3.0  1.2  0.6
assi (resi 148 and name HA) (resi 152 and name HN)   4.8  3.0  1.0
assi (resi 150 and name HA) (resi 152 and name HN)   4.8  3.0  1.0
assi (resi 151 and name HA) (resi 153 and name HN)   4.8  3.0  1.0 
assi (resi 152 and name HA) (resi 153 and name HN)   3.8  2.0  0.8
assi (resi 153 and name HA) (resi 153 and name HN)   3.0  1.2  0.6   
assi (resi 150 and name HA) (resi 153 and name HN)   3.0  1.2  0.6
assi (resi 154 and name HA) (resi 154 and name HN)   3.0  1.2  0.6 
assi (resi 152 and name HA) (resi 154 and name HN)   3.8  2.0  0.8       
assi (resi 150 and name HA) (resi 154 and name HN)   4.8  3.0  1.0
assi (resi 151 and name HA) (resi 154 and name HN)   3.8  2.0  0.8
assi (resi 155 and name HA) (resi 154 and name HN)   4.8  3.0  1.0
assi (resi 155 and name HA) (resi 155 and name HN)   3.0  1.2  0.6
assi (resi 156 and name HA) (resi 155 and name HN)   5.8  4.0  1.2
assi (resi 154 and name HA) (resi 155 and name HN)   3.8  2.0  0.8
assi (resi 151 and name HA) (resi 155 and name HN)   4.8  3.0  1.0
assi (resi 155 and name HA) (resi 156 and name HN)   3.8  2.0  0.8
assi (resi 156 and name HA) (resi 156 and name HN)   3.0  1.2  0.6
assi (resi 154 and name HA) (resi 156 and name HN)   4.8  3.0  1.0

!cterm part
assi (resi 157 and name HA) (resi 157 and name HN)   3.0  1.2  0.6
assi (resi 156 and name HA) (resi 157 and name HN)   3.8  2.0  0.8
assi (resi 154 and name HA) (resi 157 and name HN)   3.8  2.0  0.8
assi (resi 155 and name HA) (resi 157 and name HN)   3.8  2.0  0.8
assi (resi 158 and name HA) (resi 158 and name HN)   3.0  1.2  0.6 
assi (resi 157 and name HA) (resi 158 and name HN)   3.0  1.2  0.6
assi (resi 155 and name HA) (resi 158 and name HN)   3.0  1.2  0.6
assi (resi 156 and name HA) (resi 159 and name HN)   4.8  3.0  1.0   
!assi (resi 157 and name HA) (resi 159 and name HN)   4.8  3.0  1.0
assi (resi 159 and name HA#) (resi 159 and name HN)  3.0  1.2  0.6
assi (resi 158 and name HA) (resi 159 and name HN)   3.0  1.2  0.6
assi (resi 160 and name HA) (resi 160 and name HN)   3.0  1.2  0.6
assi (resi 159 and name HA#) (resi 160 and name HN)  3.0  1.2  0.6
assi (resi 157 and name HA) (resi 160 and name HN)   5.8  4.0  1.2
assi (resi 158 and name HA) (resi 160 and name HN)   5.8  4.0  1.2
assi (resi 161 and name HA) (resi 161 and name HN)   3.0  1.2  0.6
assi (resi 160 and name HA) (resi 161 and name HN)   3.0  1.2  0.6   
 
!H-bonds
assi (resi 112 and name HN) (resi 148 and name O)    2.0  0.4  0.3
assi (resi 148 and name HN) (resi 112 and name O)    2.0  0.4  0.3 
assi (resi 110 and name HN) (resi 105 and name OD#)  2.85 0.4  0.3  
assi (resi 146 and name HN) (resi 141 and name OD#)  2.85 0.4  0.3 
 
!HB to NHs
assi (resi 88 and name HB#) (resi 88 and name HN)   3.0  1.2  0.6
assi (resi 89 and name HB#) (resi 89 and name HN)   3.0  1.2  0.6
assi (resi 88 and name HB#) (resi 89 and name HN)   4.8  3.0  1.0
assi (resi 92 and name HB#) (resi 92 and name HN)   3.0  1.2  0.6
assi (resi 96 and name HB#) (resi 93 and name HN)   3.8  2.0  0.8
assi (resi 93 and name HB#) (resi 94 and name HN)   3.0  1.2  0.6
assi (resi 94 and name HB#) (resi 95 and name HN)   3.0  1.2  0.6
assi (resi 97 and name HB#) (resi 97 and name HN)   3.0  1.2  0.6
assi (resi 98 and name HB#) (resi 98 and name HN)   3.0  1.2  0.6
assi (resi 97 and name HB#) (resi 98 and name HN)   3.0  1.2  0.6
assi (resi 95 and name HB#) (resi 98 and name HN)   5.8  4.0  1.2
assi (resi 99 and name HB#) (resi 98 and name HN)   5.8  4.0  1.2
assi (resi 98 and name HB#) (resi 99 and name HN)   3.8  2.0  0.8
assi (resi 99 and name HB#) (resi 99 and name HN)   3.0  1.2  0.6
assi (resi 99 and name HB#) (resi 100 and name HN)  3.0  1.2  0.6
assi (resi 100 and name HB#) (resi 100 and name HN)  3.0  1.2  0.6
assi (resi 101 and name HB#) (resi 100 and name HN)  4.8  3.0  1.0
assi (resi 101 and name HB#) (resi 101 and name HN)  3.0  1.2  0.6
assi (resi 102 and name HB#) (resi 102 and name HN)  3.0  1.2  0.6
assi (resi 101 and name HB#) (resi 102 and name HN)  3.0  1.2  0.6
assi (resi 102 and name HB#) (resi 103 and name HN)  3.8  2.0  0.8
assi (resi 104 and name HB#) (resi 104 and name HN)  3.0  1.2  0.6
assi (resi 103 and name HB#) (resi 104 and name HN)  3.0  1.2  0.6
assi (resi 104 and name HB#) (resi 105 and name HN)  3.0  1.2  0.6
assi (resi 102 and name HB#) (resi 105 and name HN) 4.8  3.0  1.0 
assi (resi 105 and name HB#) (resi 105 and name HN)  3.0  1.2  0.6
assi (resi 106 and name HB#) (resi 106 and name HN)  3.0  1.2  0.6
assi (resi 116 and name HB#) (resi 106 and name HN)  3.8  2.0  0.8 
assi (resi 106 and name HB#) (resi 107 and name HN)  3.0  1.2  0.6
assi (resi 107 and name HB#) (resi 107 and name HN)  3.0  1.2  0.6
assi (resi 107 and name HB2) (resi 108 and name HN)  3.8  2.0  0.8 
assi (resi 106 and name HB#) (resi 108 and name HN)  4.8  3.0  1.0
assi (resi 108 and name HB#) (resi 108 and name HN)  3.8  2.0  0.8
assi (resi 109 and name HB#) (resi 108 and name HN)  5.8  4.0  1.2
assi (resi 109 and name HB#) (resi 109 and name HN)  3.0  1.2  0.6
assi (resi 108 and name HB#) (resi 109 and name HN)  4.8  3.0  1.0
assi (resi 105 and name HB#) (resi 110 and name HN)  4.8  3.0  1.0
assi (resi 109 and name HB#) (resi 110 and name HN)  4.8  3.0  1.0
assi (resi 108 and name HB#) (resi 110 and name HN)  4.8  3.0  1.0
assi (resi 111 and name HB#) (resi 110 and name HN)  5.8  4.0  1.2
assi (resi 109 and name HB#) (resi 111 and name HN)  4.8  3.0  1.0
assi (resi 111 and name HB#) (resi 111 and name HN)  3.8  2.0  0.8
assi (resi 111 and name HB#) (resi 112 and name HN)  3.0  1.2  0.6
assi (resi 112 and name HB)  (resi 112 and name HN)  3.0  1.2  0.6
assi (resi 147 and name HB#) (resi 112 and name HN)  3.8  2.0  0.8
assi (resi 148 and name HB)  (resi 112 and name HN)  3.0  1.2  0.6
assi (resi 113 and name HB#) (resi 113 and name HN)  3.0  1.2  0.6
assi (resi 112 and name HB)  (resi 113 and name HN)  4.8  3.0  1.0
assi (resi 116 and name HB#) (resi 113 and name HN)  3.0  1.2  0.6
assi (resi 113 and name HB#) (resi 114 and name HN)  3.0  1.2  0.6
assi (resi 114 and name HB#) (resi 114 and name HN)  3.0  1.2  0.6
assi (resi 113 and name HB#) (resi 115 and name HN)  3.8  2.0  0.8
assi (resi 114 and name HB#) (resi 115 and name HN)  3.0  1.2  0.6
assi (resi 115 and name HB#) (resi 115 and name HN)  3.0  1.2  0.6
assi (resi 113 and name HB#) (resi 116 and name HN)  3.8  2.0  0.8
assi (resi 116 and name HB#) (resi 116 and name HN)  3.0  1.2  0.6
assi (resi 115 and name HB#) (resi 116 and name HN)  3.0  1.2  0.6
assi (resi 117 and name HB#) (resi 117 and name HN)  3.0  1.2  0.6
assi (resi 116 and name HB#) (resi 117 and name HN)  3.0  1.2  0.6
assi (resi 119 and name HB) (resi 119 and name HN)   3.0  1.2  0.6
assi (resi 119 and name HB) (resi 120 and name HN)   3.0  1.2  0.6
assi (resi 128 and name HB)  (resi 121 and name HN)  5.8  4.0  1.2 
assi (resi 121 and name HB#) (resi 121 and name HN)  3.0  1.2  0.6
assi (resi 122 and name HB#) (resi 122 and name HN)  3.0  1.2  0.6
assi (resi 122 and name HB#) (resi 123 and name HN)  3.0  1.2  0.6
assi (resi 123 and name HB#) (resi 123 and name HN)  3.0  1.2  0.6
assi (resi 124 and name HB)  (resi 124 and name HN)  3.0  1.2  0.6
assi (resi 122 and name HB#) (resi 124 and name HN)  4.8  3.0  1.0
assi (resi 124 and name HB)  (resi 125 and name HN)  3.8  2.0  0.8
assi (resi 126 and name HB#) (resi 126 and name HN)  3.0  1.2  0.6
assi (resi 124 and name HB)  (resi 126 and name HN)  3.8  2.0  0.8
assi (resi 126 and name HB#) (resi 127 and name HN)  3.0  1.2  0.6
assi (resi 128 and name HB)  (resi 128 and name HN)  3.0  1.2  0.6
assi (resi 128 and name HB)  (resi 129 and name HN)  3.8  2.0  0.8
assi (resi 132 and name HB#) (resi 129 and name HN)  3.8  2.0  0.8
assi (resi 130 and name HB#) (resi 130 and name HN)  3.0  1.2  0.6
assi (resi 132 and name HB#) (resi 131 and name HN)  5.8  4.0  1.2
assi (resi 133 and name HB)  (resi 131 and name HN)  4.8  3.0  1.0
assi (resi 132 and name HB#) (resi 132 and name HN)  3.0  1.2  0.6
assi (resi 131 and name HB#) (resi 132 and name HN)  3.0  1.2  0.6
assi (resi 128 and name HB)  (resi 133 and name HN)  4.8  3.0  1.0
assi (resi 132 and name HB#) (resi 133 and name HN)  3.0  1.2  0.6
assi (resi 133 and name HB)  (resi 133 and name HN)  3.0  1.2  0.6
assi (resi 133 and name HB)  (resi 134 and name HN)  3.0  1.2  0.6
assi (resi 134 and name HB#) (resi 135 and name HN)  3.0  1.2  0.6
assi (resi 135 and name HB#) (resi 136 and name HN)  3.8  2.0  0.8
assi (resi 136 and name HB#) (resi 136 and name HN)  3.0  1.2  0.6
assi (resi 136 and name HB#) (resi 137 and name HN)  3.0  1.2  0.6
assi (resi 138 and name HB#) (resi 137 and name HN)  4.8  3.0  1.0
assi (resi 137 and name HB#) (resi 137 and name HN)  3.0  1.2  0.6
assi (resi 138 and name HB#) (resi 138 and name HN)  3.0  1.2  0.6
assi (resi 137 and name HB#) (resi 138 and name HN)  3.0  1.2  0.6
assi (resi 138 and name HB#) (resi 139 and name HN)  3.0  1.2  0.6
assi (resi 139 and name HB#) (resi 139 and name HN)  3.0  1.2  0.6
assi (resi 156 and name HB#) (resi 140 and name HN)  5.8  4.0  1.2
assi (resi 139 and name HB#) (resi 140 and name HN)  3.8  2.0  0.8
assi (resi 139 and name HB#) (resi 141 and name HN)  5.8  4.0  1.2
assi (resi 141 and name HB#) (resi 141 and name HN)  3.0  1.2  0.6
assi (resi 142 and name HB#) (resi 142 and name HN)  3.0  1.2  0.6
assi (resi 152 and name HB2) (resi 142 and name HN)  4.8  3.0  1.0
assi (resi 143 and name HB#) (resi 143 and name HN)  3.0  1.2  0.6
assi (resi 142 and name HB#) (resi 143 and name HN)  3.8  2.0  0.8
assi (resi 144 and name HB#) (resi 144 and name HN)  3.8  2.0  0.8
assi (resi 143 and name HB#) (resi 144 and name HN)  3.8  2.0  0.8
assi (resi 142 and name HB#) (resi 144 and name HN)  4.8  3.0  1.0
assi (resi 145 and name HB#) (resi 145 and name HN)  3.0  1.2  0.6
assi (resi 144 and name HB#) (resi 145 and name HN)  4.8  3.0  1.0
assi (resi 141 and name HB#) (resi 146 and name HN)  4.8  3.0  1.0
assi (resi 144 and name HB#) (resi 146 and name HN)  5.8  4.0  1.2
assi (resi 147 and name HB#) (resi 147 and name HN)  3.0  1.2  0.6
assi (resi 148 and name HB)  (resi 148 and name HN)  3.0  1.2  0.6
assi (resi 111 and name HB#) (resi 148 and name HN)  3.8  2.0  0.8
assi (resi 112 and name HB)  (resi 148 and name HN)  3.8  2.0  0.8
assi (resi 149 and name HB#) (resi 149 and name HN)  3.0  1.2  0.6
assi (resi 148 and name HB)  (resi 149 and name HN)  3.8  2.0  0.8
assi (resi 149 and name HB#) (resi 150 and name HN)  3.0  1.2  0.6
assi (resi 150 and name HB#) (resi 150 and name HN)  3.0  1.2  0.6
assi (resi 151 and name HB#) (resi 151 and name HN)  3.0  1.2  0.6
assi (resi 150 and name HB#) (resi 151 and name HN)  3.0  1.2  0.6
assi (resi 152 and name HB#) (resi 152 and name HN)  3.0  1.2  0.6
assi (resi 151 and name HB#) (resi 152 and name HN)  3.0  1.2  0.6
assi (resi 152 and name HB#) (resi 153 and name HN)  3.8  2.0  0.8
assi (resi 154 and name HB#) (resi 153 and name HN)  4.8  3.0  1.0
assi (resi 153 and name HB#) (resi 154 and name HN)  3.0  1.2  0.6
assi (resi 154 and name HB#) (resi 154 and name HN)  3.0  1.2  0.6
assi (resi 155 and name HB#) (resi 155 and name HN)  3.0  1.2  0.6
assi (resi 154 and name HB#) (resi 155 and name HN)  3.0  1.2  0.6
assi (resi 155 and name HB#) (resi 156 and name HN)  3.0  1.2  0.6
assi (resi 156 and name HB#) (resi 156 and name HN)  3.0  1.2  0.6
assi (resi 157 and name HB#) (resi 156 and name HN)  4.8  3.0  1.0
assi (resi 156 and name HB#) (resi 157 and name HN)  3.8  2.0  0.8
assi (resi 157 and name HB#) (resi 157 and name HN)  3.0  1.2  0.6
assi (resi 158 and name HB#) (resi 158 and name HN)  3.0  1.2  0.6
assi (resi 157 and name HB#) (resi 158 and name HN)  3.8  2.0  0.8
assi (resi 158 and name HB#) (resi 159 and name HN)  3.8  2.0  0.8
assi (resi 160 and name HB) (resi 160 and name HN)   3.0  1.2  0.6
assi (resi 161 and name HB#) (resi 161 and name HN)  3.0  1.2  0.6

!HG to NHs
assi (resi 93 and name HG2#)  (resi 93 and name HN)   4.8  3.0  1.0
assi (resi 96 and name HG#)   (resi 94 and name HN)   4.8  3.0  1.0
assi (resi 93 and name HG2#)  (resi 94 and name HN)   3.8  2.0  0.8
assi (resi 94 and name HG#)   (resi 95 and name HN)   4.8  3.0  1.0
assi (resi 97 and name HG)    (resi 97 and name HN)   3.0  1.2  0.6
assi (resi 100 and name HG)  (resi 100 and name HN)   3.0  1.2  0.6
assi (resi 100 and name HG)  (resi 101 and name HN)   4.8  3.0  1.0
assi (resi 103 and name HG#) (resi 102 and name HN)   4.8  3.0  1.0
assi (resi 103 and name HG#) (resi 103 and name HN)   3.0  1.2  0.6
assi (resi 102 and name HG#) (resi 104 and name HN)   5.8  4.0  1.2
assi (resi 112 and name HG1#) (resi 105 and name HN)  3.8  2.0  0.8
assi (resi 116 and name HG#)  (resi 106 and name HN)  3.8  2.0  0.8
assi (resi 112 and name HG2#) (resi 112 and name HN)  4.8  3.0  1.0
assi (resi 148 and name HG2#) (resi 112 and name HN)  4.8  3.0  1.0
assi (resi 112 and name HG2#) (resi 113 and name HN)  3.8  2.0  0.8 
assi (resi 119 and name HG1#) (resi 119 and name HN)  3.0  1.2  0.6 
assi (resi 119 and name HG2#) (resi 119 and name HN)  4.8  3.0  1.0
assi (resi 122 and name HG#) (resi 119 and name HN)   4.8  3.0  1.0
assi (resi 117 and name HG)  (resi 119 and name HN)   4.8  3.0  1.0
assi (resi 122 and name HG#)  (resi 122 and name HN)  3.8  2.0  0.8
assi (resi 124 and name HG2#) (resi 124 and name HN)  3.8  2.0  0.8 
assi (resi 124 and name HG2#) (resi 125 and name HN)  4.8  3.0  1.0
assi (resi 126 and name HG#)  (resi 125 and name HN)  3.8  2.0  0.8
assi (resi 124 and name HG2#) (resi 126 and name HN)  4.8  3.0  1.0
assi (resi 126 and name HG#)  (resi 126 and name HN)  3.0  1.2  0.6
assi (resi 126 and name HG#) (resi 127 and name HN)   4.8  3.0  1.0
assi (resi 127 and name HG2#) (resi 127 and name HN)  3.8  2.0  0.8
assi (resi 128 and name HG##) (resi 128 and name HN)  3.8  2.0  0.8
assi (resi 129 and name HG2#) (resi 129 and name HN)  3.8  2.0  0.8
assi (resi 130 and name HG#) (resi 130 and name HN)   3.8  2.0  0.8
assi (resi 129 and name HG2#) (resi 130 and name HN)  4.8  3.0  1.0
assi (resi 133 and name HG2#) (resi 133 and name HN)  4.8  3.0  1.0
assi (resi 133 and name HG2#) (resi 134 and name HN)  4.8  3.0  1.0
assi (resi 135 and name HG#) (resi 135 and name HN)   3.0  1.2  0.6
assi (resi 138 and name HG#) (resi 139 and name HN)   4.8  3.0  1.0
assi (resi 147 and name HG#) (resi 147 and name HN)   3.0  1.2  0.6
assi (resi 147 and name HG#) (resi 148 and name HN)   4.8  3.0  1.0
assi (resi 148 and name HG##) (resi 148 and name HN)  3.8  2.0  0.8
assi (resi 148 and name HG##) (resi 149 and name HN)  3.8  2.0  0.8
assi (resi 152 and name HG#)  (resi 149 and name HN)  3.0  1.2  0.6
assi (resi 152 and name HG#) (resi 152 and name HN)   3.0  1.2  0.6
assi (resi 148 and name HG2#) (resi 152 and name HN)  4.8  3.0  1.0
assi (resi 148 and name HG2#) (resi 153 and name HN)  3.8  2.0  0.8
assi (resi 154 and name HG)  (resi 154 and name HN)   3.8  2.0  0.8
assi (resi 155 and name HG#) (resi 155 and name HN)   3.0  1.2  0.6
assi (resi 155 and name HG#) (resi 156 and name HN)   4.8  3.0  1.0
assi (resi 160 and name HG##) (resi 160 and name HN)  3.8  2.0  0.8
assi (resi 160 and name HG##) (resi 161 and name HN)  4.8  3.0  1.0 
assi (resi 161 and name HG#) (resi 161 and name HN)   3.0  1.2  0.6

!HD* to NHs
assi (resi 97 and name HD2#) (resi 97 and name HN)    4.8  3.0  1.0
assi (resi 136 and name HD##) (resi 136 and name HN)  4.8  3.0  1.0
assi (resi 154 and name HD##) (resi 154 and name HN)  3.8  2.0  0.8
assi (resi 97 and name HD2#) (resi 157 and name HN)   5.8  4.0  1.2

!HE* to NHs
assi (resi 137 and name HE#)  (resi 114 and name HN)  4.8  3.0  1.0
 
!HA* to HA*
assi (resi 102 and name HA)  (resi 105 and name HA)   4.8  3.0  1.0
assi (resi 104 and name HA)  (resi 103 and name HA)   4.8  3.0  1.0
assi (resi 105 and name HA)  (resi 106 and name HA)   4.8  3.0  1.0
assi (resi 111 and name HA)  (resi 149 and name HA)   3.0  1.2  0.6
assi (resi 113 and name HA)  (resi 112 and name HA)   4.8  3.0  1.0
assi (resi 113 and name HA)  (resi 114 and name HA)   4.8  3.0  1.0
assi (resi 114 and name HA)  (resi 115 and name HA)   4.8  3.0  1.0
assi (resi 115 and name HA)  (resi 116 and name HA)   4.8  3.0  1.0
assi (resi 116 and name HA)  (resi 118 and name HA)   6.8  5.0  1.4 
assi (resi 116 and name HA)  (resi 119 and name HA)   5.8  4.0  1.2 
assi (resi 129 and name HA)  (resi 130 and name HA)   4.8  3.0  1.0
assi (resi 140 and name HA#) (resi 156 and name HA)   4.8  3.0  1.0
assi (resi 140 and name HA#) (resi 153 and name HA)   5.8  4.0  1.2
assi (resi 150 and name HA)  (resi 151 and name HA)   4.8  3.0  1.0
assi (resi 150 and name HA)  (resi 149 and name HA)   4.8  3.0  1.0
assi (resi 160 and name HA)  (resi 161 and name HA)   4.8  3.0  1.0
assi (resi 145 and name HA)  (resi 146 and name HA#)  4.8  3.0  1.0
assi (resi 144 and name HA)  (resi 145 and name HA)   4.8  3.0  1.0
assi (resi 144 and name HA)  (resi 143 and name HA)   4.8  3.0  1.0
!assi (resi 143 and name HA)  (resi 142 and name HA)   4.8  3.0  1.0
assi (resi 140 and name HA#) (resi 141 and name HA)   4.8  3.0  1.0
assi (resi 140 and name HA#) (resi 139 and name HA)   4.8  3.0  1.0
assi (resi 140 and name HA#) (resi 137 and name HA)   4.8  3.0  1.0
assi (resi 141 and name HA) (resi 142 and name HA)   4.8  3.0  1.0
assi (resi 141 and name HA) (resi 148 and name HA)    3.8  2.0  0.8
assi (resi 141 and name HA) (resi 152 and name HA)   5.8  4.0  1.2 
assi (resi 135 and name HA)  (resi 132 and name HA)   5.8  4.0  1.2
assi (resi 135 and name HA)  (resi 136 and name HA)   4.8  3.0  1.0
assi (resi 136 and name HA)  (resi 137 and name HA)   4.8  3.0  1.0
assi (resi 137 and name HA)  (resi 138 and name HA)   4.8  3.0  1.0
assi (resi 134 and name HA)  (resi 133 and name HA)   4.8  3.0  1.0
assi (resi 132 and name HA)  (resi 133 and name HA)   4.8  3.0  1.0
assi (resi 132 and name HA)  (resi 134 and name HA)   5.8  4.0  1.2
assi (resi 131 and name HA)  (resi 130 and name HA)   4.8  3.0  1.0
assi (resi 130 and name HA)  (resi 133 and name HA)   5.8  4.0  1.2
assi (resi 129 and name HA)  (resi 128 and name HA)   4.8  3.0  1.0
assi (resi 127 and name HA)  (resi 128 and name HA)   4.8  3.0  1.0
assi (resi 126 and name HA)  (resi 125 and name HA#)  4.8  3.0  1.0
assi (resi 124 and name HA)  (resi 125 and name HA#)  4.8  3.0  1.0
assi (resi 122 and name HA)  (resi 123 and name HA)   4.8  3.0  1.0
assi (resi 122 and name HA)  (resi 119 and name HA)   4.8  3.0  1.0
!assi (resi 117 and name HA)  (resi 104 and name HA)   4.8  3.0  1.0
!assi (resi 117 and name HA)  (resi 120 and name HA)   4.8  3.0  1.0
assi (resi 113 and name HA)  (resi 147 and name HA)   3.0  1.2  0.6
assi (resi 109 and name HA)  (resi 110 and name HA#)  4.8  3.0  1.0
assi (resi 109 and name HA)  (resi 108 and name HA)   4.8  3.0  1.0
assi (resi 107 and name HA)  (resi 106 and name HA)   4.8  3.0  1.0
assi (resi 105 and name HA)  (resi 112 and name HA)   3.8  2.0  0.8
assi (resi 105 and name HA)  (resi 108 and name HA)   4.8  3.0  1.0
assi (resi 105 and name HA)  (resi 117 and name HA)   5.8  4.0  1.2  

!HA* to HB*
assi (resi 93 and name HA)   (resi 93 and name HB)    3.0  1.2  0.6
assi (resi 94 and name HA)   (resi 94 and name HB#)   3.0  1.2  0.6
assi (resi 96 and name HA)   (resi 96 and name HB#)   3.0  1.2  0.6
assi (resi 96 and name HA)   (resi 99 and name HB#)   3.8  2.0  0.8
assi (resi 98 and name HA)   (resi 98 and name HB#)   3.0  1.2  0.6
assi (resi 98 and name HA)   (resi 101 and name HB#)  3.0  1.2  0.6
assi (resi 98 and name HA)   (resi 97 and name HB#)   4.8  3.0  1.0
assi (resi 101 and name HA)  (resi 153 and name HB#)  5.8  4.0  1.2
assi (resi 102 and name HA)  (resi 102 and name HB#)  3.0  1.2  0.6
assi (resi 103 and name HA)  (resi 102 and name HB#)  4.8  3.0  1.0
assi (resi 105 and name HA)  (resi 104 and name HB#)  4.8  3.0  1.0
assi (resi 105 and name HA)  (resi 106 and name HB#)  4.8  3.0  1.0
assi (resi 105 and name HA)  (resi 105 and name HB#)  3.0  1.2  0.6
assi (resi 106 and name HA)  (resi 106 and name HB#)  3.0  1.2  0.6 
assi (resi 107 and name HA)  (resi 107 and name HB#)  3.0  1.2  0.6 
assi (resi 107 and name HA)  (resi 108 and name HB#)  4.8  3.0  1.0 
assi (resi 108 and name HA)  (resi 108 and name HB#)  3.0  1.2  0.6 
assi (resi 109 and name HA)  (resi 107 and name HB#)  5.8  4.0  1.2 
assi (resi 109 and name HA)  (resi 108 and name HB#)  4.8  3.0  1.0
assi (resi 109 and name HA)  (resi 109 and name HB#)  3.0  1.2  0.6
assi (resi 111 and name HA)  (resi 147 and name HB#)  4.8  3.0  1.0
assi (resi 111 and name HA)  (resi 149 and name HB#)  3.8  2.0  0.8
assi (resi 111 and name HA)  (resi 112 and name HB)   4.8  3.0  1.0
assi (resi 111 and name HA)  (resi 111 and name HB#)  3.0  1.2  0.6
assi (resi 112 and name HA)  (resi 111 and name HB#)  4.8  3.0  1.0 
assi (resi 112 and name HA)  (resi 112 and name HB)   3.0  1.2  0.6
assi (resi 113 and name HA)  (resi 147 and name HB#)  3.8  2.0  0.8
assi (resi 113 and name HA)  (resi 113 and name HB#)  3.0  1.2  0.6
assi (resi 113 and name HA)  (resi 114 and name HB#)  5.8  4.0  1.2 
assi (resi 115 and name HA)  (resi 115 and name HB#)  3.0  1.2  0.6
assi (resi 116 and name HA)  (resi 116 and name HB#)  3.0  1.2  0.6
assi (resi 119 and name HA)  (resi 120 and name HB#)  5.8  4.0  1.2
assi (resi 123 and name HA)  (resi 123 and name HB#)  3.0  1.2  0.6
assi (resi 124 and name HA)  (resi 123 and name HB#)  4.8  3.0  1.0
assi (resi 124 and name HA)  (resi 124 and name HB)   3.0  1.2  0.6
assi (resi 126 and name HA)  (resi 126 and name HB#)  3.0  1.2  0.6
assi (resi 127 and name HA)  (resi 128 and name HB)   4.8  3.0  1.0
assi (resi 129 and name HA)  (resi 130 and name HB#)  4.8  3.0  1.0
assi (resi 131 and name HA)  (resi 131 and name HB#)  3.0  1.2  0.6
assi (resi 132 and name HA)  (resi 131 and name HB#)  4.8  3.0  1.0
assi (resi 132 and name HA)  (resi 132 and name HB#)  3.0  1.2  0.6
assi (resi 134 and name HA)  (resi 134 and name HB#)  3.0  1.2  0.6
assi (resi 134 and name HA)  (resi 114 and name HB#)  4.8  3.0  1.0
assi (resi 135 and name HA)  (resi 135 and name HB#)  3.0  1.2  0.6
assi (resi 137 and name HA)  (resi 148 and name HB)   4.8  3.0  1.0
assi (resi 139 and name HA)  (resi 138 and name HB#)  4.8  3.0  1.0
assi (resi 139 and name HA)  (resi 139 and name HB#)  3.0  1.2  0.6
assi (resi 140 and name HA1#)(resi 156 and name HB#)  4.8  3.0  1.0 
assi (resi 141 and name HA)  (resi 142 and name HB#)  4.8  3.0  1.0
assi (resi 141 and name HA)  (resi 141 and name HB#)  3.0  1.2  0.6
assi (resi 142 and name HA)  (resi 142 and name HB#)  3.0  1.2  0.6
assi (resi 143 and name HA)  (resi 144 and name HB#)  4.8  3.0  1.0
assi (resi 143 and name HA)  (resi 143 and name HB#)  3.0  1.2  0.6
assi (resi 144 and name HA)  (resi 144 and name HB#)  3.0  1.2  0.6
assi (resi 145 and name HA)  (resi 145 and name HB#)  3.0  1.2  0.6 
assi (resi 147 and name HA)  (resi 147 and name HB#)  3.0  1.2  0.6
assi (resi 147 and name HA)  (resi 112 and name HB)   4.8  3.0  1.0
assi (resi 149 and name HA)  (resi 150 and name HB#)  4.8  3.0  1.0
assi (resi 149 and name HA)  (resi 149 and name HB#)  3.0  1.2  0.6 
assi (resi 150 and name HA)  (resi 150 and name HB#)  3.0  1.2  0.6 
assi (resi 150 and name HA)  (resi 101 and name HB#)  3.8  2.0  0.8
assi (resi 151 and name HA)  (resi 154 and name HB#)  3.8  2.0  0.8 
assi (resi 151 and name HA)  (resi 151 and name HB#)  3.0  1.2  0.6
assi (resi 152 and name HA)  (resi 155 and name HB#)  3.8  2.0  0.8
assi (resi 152 and name HA)  (resi 152 and name HB#)  3.0  1.2  0.6 
assi (resi 154 and name HA)  (resi 97 and name HB#)   3.8  2.0  0.8
assi (resi 157 and name HA)  (resi 157 and name HB#)  3.0  1.2  0.6
assi (resi 161 and name HA)  (resi 160 and name HB)   4.8  3.0  1.0
assi (resi 161 and name HA)  (resi 161 and name HB#)  3.0  1.2  0.6 

!HA* to HG*
assi (resi 93 and name HA)   (resi 93 and name HG#)   3.0  1.2  0.6
assi (resi 94 and name HA)   (resi 94 and name HG#)   3.0  1.2  0.6
assi (resi 97 and name HA)   (resi 97 and name HG)    3.0  1.2  0.6
assi (resi 102 and name HA)  (resi 102 and name HG#)  3.8  2.0  0.8
assi (resi 103 and name HA)  (resi 103 and name HG#)  3.0  1.2  0.6 
assi (resi 105 and name HA)  (resi 112 and name HG1#) 3.0  1.2  0.6
assi (resi 106 and name HA)  (resi 106 and name HG#)  3.0  1.2  0.6
assi (resi 112 and name HA)  (resi 112 and name HG1#) 3.0  1.2  0.6
assi (resi 112 and name HA)  (resi 112 and name HG2#) 3.0  1.2  0.6 
assi (resi 113 and name HA)  (resi 147 and name HG#)  4.8  3.0  1.0
assi (resi 114 and name HA)  (resi 137 and name HG#)  4.8  3.0  1.0
assi (resi 116 and name HA)  (resi 106 and name HG#)  3.8  2.0  1.2
assi (resi 116 and name HA)  (resi 119 and name HG1#) 3.8  2.0  0.8
assi (resi 116 and name HA)  (resi 116 and name HG#)  3.0  1.2  0.6
assi (resi 119 and name HA)  (resi 119 and name HG##) 3.0  1.2  0.6
assi (resi 122 and name HA)  (resi 122 and name HG#)  3.0  1.2  0.6
assi (resi 124 and name HA)  (resi 124 and name HG1)  3.8  2.0  0.8
assi (resi 124 and name HA)  (resi 124 and name HG2#) 3.0  1.2  0.6
assi (resi 126 and name HA)  (resi 127 and name HG2#) 4.8  3.0  1.0
assi (resi 126 and name HA)  (resi 126 and name HG#)  3.0  1.2  0.6
assi (resi 127 and name HA)  (resi 127 and name HG2#) 3.0  1.2  0.6
assi (resi 129 and name HA)  (resi 129 and name HG2#) 3.8  2.0  0.8 
assi (resi 133 and name HA)  (resi 133 and name HG##) 3.0  1.2  0.6
assi (resi 134 and name HA)  (resi 133 and name HG2#) 4.8  3.0  1.0
assi (resi 137 and name HA)  (resi 137 and name HG#)  3.0  1.2  0.6
assi (resi 140 and name HA#) (resi 148 and name HG1#) 3.8  2.0  0.8  
assi (resi 141 and name HA)  (resi 142 and name HG#)  4.8  3.0  1.0
assi (resi 142 and name HA)  (resi 142 and name HG#)  3.0  1.2  0.6
assi (resi 147 and name HA)  (resi 147 and name HG#)  3.0  1.2  0.6
assi (resi 148 and name HA)  (resi 148 and name HG##) 3.0  1.2  0.6
assi (resi 149 and name HA)  (resi 148 and name HG2#) 4.8  3.0  1.0
assi (resi 151 and name HA)  (resi 154 and name HG)   4.8  3.0  1.0  
assi (resi 152 and name HA)  (resi 152 and name HG#)  3.0  1.2  0.6
assi (resi 153 and name HA) (resi 148 and name HG2#)  3.0  1.2  0.6
assi (resi 154 and name HA)  (resi 97 and name HG)    5.8  4.0  1.2
assi (resi 156 and name HA) (resi 160 and name HG1#)  4.8  3.0  1.0              
assi (resi 157 and name HA)  (resi 160 and name HG2#) 3.0  1.2  0.6
assi (resi 157 and name HA)  (resi 160 and name HG1#) 4.8  3.0  1.0
assi (resi 160 and name HA)  (resi 160 and name HG##) 3.0  1.2  0.6 
assi (resi 161 and name HA)  (resi 161 and name HG#)  3.8  2.0  0.8 

!HA* to HD*
assi (resi 97 and name HA)   (resi 97 and name HD1#)  3.8  2.0  0.8 
assi (resi 97 and name HA)   (resi 97 and name HD2#)  3.0  1.2  0.6 
assi (resi 102 and name HA)  (resi 102 and name HD#)  4.8  3.0  1.0
assi (resi 106 and name HA)  (resi 106 and name HD#)  3.0  1.2  0.6
assi (resi 113 and name HA)  (resi 147 and name HD#)  3.8  2.0  0.8  
assi (resi 116 and name HA)  (resi 119 and name HD#)  3.8  2.0  0.8 
assi (resi 119 and name HA)  (resi 119 and name HD1#) 4.8  3.0  1.0 
assi (resi 133 and name HA)  (resi 136 and name HD1#) 3.8  2.0  0.8 
assi (resi 137 and name HA)  (resi 148 and name HD1#) 3.8  2.0  0.8
assi (resi 139 and name HA)  (resi 142 and name HD#)  4.8  3.0  1.0
assi (resi 140 and name HA#) (resi 148 and name HD1#) 3.8  2.0  0.8
assi (resi 142 and name HA)  (resi 142 and name HD#)  3.0  1.2  0.6
assi (resi 147 and name HA)  (resi 147 and name HD#)  4.8  3.0  1.0
assi (resi 150 and name HA)  (resi 154 and name HD##) 5.8  4.0  1.2
assi (resi 158 and name HA)  (resi 158 and name HD#)  4.8  3.0  1.0

!HA* to HE*
assi (resi 106 and name HA)  (resi 106 and name HE#)  3.8  2.0  0.8 
assi (resi 113 and name HA)  (resi 137 and name HE#)  3.0  1.2  0.6 
assi (resi 137 and name HA)  (resi 137 and name HE#)  3.8  2.0  0.8
assi (resi 147 and name HA)  (resi 137 and name HE#)  3.0  1.2  0.6 
assi (resi 157 and name HA)  (resi 157 and name HE#)  3.8  2.0  0.8

!Aromatics
assi (resi 101 and name HD#) (resi 102 and name HA)   4.8  3.0  1.0
assi (resi 101 and name HE#) (resi 102 and name HA)   4.8  3.0  1.0
assi (resi 101 and name HE#) (resi 111 and name HA)   3.8  2.0  0.8
assi (resi 101 and name HE#) (resi 112 and name HG1#) 3.8  2.0  0.8
assi (resi 101 and name HE#) (resi 148 and name HG2#) 4.8  3.0  1.0
assi (resi 101 and name HE#) (resi 149 and name HA)   3.8  2.0  0.8
assi (resi 101 and name HE#) (resi 150 and name HA)   4.8  3.0  1.0
assi (resi 101 and name HZ)  (resi 110 and name HA#)  4.8  3.0  1.0 
assi (resi 101 and name HZ)  (resi 111 and name HA)   3.0  1.2  0.6
assi (resi 101 and name HZ)  (resi 149 and name HA)   3.0  1.2  0.6  
assi (resi 101 and name HZ)  (resi 150 and name HA)   4.8  3.0  1.0
assi (resi 104 and name HZ)  (resi 136 and name HD2#) 4.8  3.0  1.0
assi (resi 104 and name HZ)  (resi 117 and name HD#)  5.8  4.0  1.2
assi (resi 111 and name HD#) (resi 111 and name HN)   3.8  2.0  0.8
assi (resi 111 and name HD#) (resi 111 and name HA)   3.8  2.0  0.8
assi (resi 111 and name HD#) (resi 111 and name HB#)  3.0  1.2  0.6
assi (resi 111 and name HD#) (resi 110 and name HA#)  4.8  3.0  1.0
assi (resi 111 and name HD#) (resi 112 and name HN)   4.8  3.0  1.0
assi (resi 111 and name HD#) (resi 147 and name HD#)  4.8  3.0  1.0
assi (resi 111 and name HD#) (resi 147 and name HB#)  4.8  3.0  1.0 
assi (resi 111 and name HD#) (resi 147 and name HG#)  5.8  4.0  1.2 
assi (resi 111 and name HD#) (resi 149 and name HA)   4.8  3.0  1.0
assi (resi 111 and name HD#) (resi 149 and name HB#)  3.8  2.0  0.8
assi (resi 111 and name HE#) (resi 110 and name HA#)  4.8  3.0  1.0 
assi (resi 111 and name HE#) (resi 147 and name HB#)  5.8  4.0  1.2
assi (resi 111 and name HE#) (resi 149 and name HA#)  5.8  4.0  1.2
assi (resi 111 and name HE#) (resi 149 and name HB#)  3.8  2.0  0.8
assi (resi 150 and name HD#) (resi 98 and name HA)    3.8  2.0  0.8
assi (resi 150 and name HD#) (resi 150 and name HN)   4.8  3.0  1.0
assi (resi 150 and name HD#) (resi 150 and name HA)   3.0  1.2  0.6
assi (resi 150 and name HD#) (resi 150 and name HB#)  3.0  1.2  0.6
assi (resi 150 and name HD#) (resi 151 and name HN)   4.8  3.0  1.0
assi (resi 150 and name HD#) (resi 151 and name HA)   4.8  3.0  1.0
assi (resi 150 and name HD#) (resi 153 and name HN)   5.8  4.0  1.2 
assi (resi 150 and name HD#) (resi 154 and name HD2#) 3.8  2.0  0.8
assi (resi 150 and name HE#) (resi 95 and name HA)    3.8  2.0  0.8
assi (resi 150 and name HE#) (resi 97 and name HB#)   5.8  4.0  1.2  
assi (resi 150 and name HE#) (resi 98 and name HB#)   3.8  2.0  0.8
assi (resi 150 and name HE#) (resi 98 and name HN)    4.8  3.0  1.0
assi (resi 150 and name HE#) (resi 98 and name HA)    3.8  2.0  0.8 
assi (resi 150 and name HE#) (resi 99 and name HN)    5.8  4.0  1.2  
assi (resi 150 and name HE#) (resi 101 and name HB#)  5.8  4.0  1.2
assi (resi 150 and name HE#) (resi 150 and name HA)   4.8  3.0  1.0
assi (resi 150 and name HE#) (resi 150 and name HB#)  4.8  3.0  0.8
assi (resi 150 and name HE#) (resi 151 and name HN)   5.8  4.0  1.2
assi (resi 150 and name HE#) (resi 151 and name HA)   5.8  4.0  1.2
assi (resi 150 and name HE#) (resi 154 and name HG)   4.8  3.0  0.8
assi (resi 150 and name HE#) (resi 154 and name HD2#) 3.8  2.0  0.8 
assi (resi 156 and name HD#) (resi 139 and name HN)   5.8  4.0  1.2
assi (resi 156 and name HD#) (resi 139 and name HB#)  5.8  4.0  1.2
assi (resi 156 and name HD#) (resi 140 and name HN)   4.8  3.0  1.0
assi (resi 156 and name HD#) (resi 140 and name HA#)  3.0  1.2  0.6
assi (resi 156 and name HD#) (resi 153 and name HA)   4.8  3.0  1.0
assi (resi 156 and name HD#) (resi 156 and name HA)   3.8  2.0  0.8
assi (resi 156 and name HE#) (resi 137 and name HA)   5.8  4.0  1.2
assi (resi 156 and name HE#) (resi 139 and name HN)   5.8  4.0  1.2
assi (resi 156 and name HE#) (resi 139 and name HA)   4.8  3.0  1.0
assi (resi 156 and name HE#) (resi 139 and name HB#)  3.8  2.0  0.8 
assi (resi 156 and name HE#) (resi 140 and name HN)   3.8  2.0  0.8
assi (resi 156 and name HE#) (resi 140 and name HA#)  4.8  3.0  1.0
assi (resi 156 and name HZ)  (resi 139 and name HN)   4.8  3.0  1.0
assi (resi 156 and name HZ)  (resi 139 and name HB#)  4.8  3.0  1.0
assi (resi 156 and name HZ)  (resi 140 and name HN)   5.8  4.0  1.2
assi (resi 156 and name HZ)  (resi 148 and name HD1#) 4.8  3.0  1.0

!MIX
assi (resi 92 and name HB#) (resi 96 and name HG#)    3.8  2.0  0.8
!assi (resi 92 and name HG#) (resi 96 and name HB#)    4.8  3.0  0.0
assi (resi 97 and name HD##) (resi 157 and name HB#)  3.0  1.2  0.6
assi (resi 104 and name HB#) (resi 112 and name HD1#) 3.0  1.2  0.6
assi (resi 107 and name HB#) (resi 116 and name HG#)  5.8  4.0  1.2
assi (resi 111 and name HB#) (resi 147 and name HB#)  3.0  1.2  0.6
assi (resi 111 and name HB#) (resi 147 and name HD#)  3.0  1.2  0.6
assi (resi 111 and name HB#) (resi 147 and name HG#)  4.8  3.0  1.0
assi (resi 117 and name HD2#) (resi 137 and name HE#) 3.8  2.0  0.8 
assi (resi 124 and name HG2#) (resi 123 and name HB#) 4.8  3.0  1.0 

!not checked
assi (resi 106 and name HB#) (resi 116 and name HG1)  3.8  2.0  0.8
assi (resi 106 and name HB2) (resi 119 and name HD1#) 4.8  3.0  1.0 
assi (resi 106 and name HG2) (resi 116 and name HG1)  3.8  2.0  0.8
assi (resi 106 and name HG2) (resi 119 and name HD1#) 4.8  3.0  1.0
assi (resi 106 and name HD1) (resi 119 and name HD11) 3.8  2.0  0.8 
assi (resi 106 and name HE2) (resi 119 and name HG23) 3.8  2.0  0.8 
assi (resi 106 and name HE2) (resi 119 and name HB)   5.8  4.0  1.2

!NH2's
assi (resi 107 and name HD2#) (resi 107 and name HB#)  3.8  2.0  0.8 
assi (resi 122 and name HE2#) (resi 122 and name HG#)  4.8  3.0  1.0
assi (resi 143 and name HD2#) (resi 143 and name HB#)  3.8  2.0  0.8 
assi (resi 144 and name HD2#) (resi 144 and name HB#)  3.8  2.0  0.8 

!Mets
assi (resi 103 and name HE#)  (resi 103 and name HA)   4.8  3.0  1.0
assi (resi 120 and name HE#)  (resi 104 and name HE#)  4.8  3.0  1.0
assi (resi 120 and name HE#)  (resi 104 and name HD#)  4.8  3.0  1.0
assi (resi 120 and name HE#)  (resi 104 and name HZ)   4.8  3.0  1.0
assi (resi 120 and name HE#)  (resi 120 and name HG#)  3.8  2.0  0.8
assi (resi 120 and name HE#)  (resi 120 and name HB#)  4.8  3.0  1.0
assi (resi 120 and name HE#)  (resi 117 and name HD#)  4.8  3.0  1.0
assi (resi 120 and name HE#)  (resi 121 and name HD1#) 4.8  3.0  1.0
assi (resi 137 and name HG#)  (resi 114 and name HB#)  5.8  4.0  1.2
assi (resi 137 and name HG#)  (resi 114 and name HD#)  4.8  3.0  1.0 
assi (resi 157 and name HE#)  (resi 153 and name HE#)  4.8  3.0  1.0
assi (resi 157 and name HE#)  (resi 153 and name HD#)  5.8  4.0  1.2
assi (resi 157 and name HE#)  (resi 97 and name HD#)   5.8  4.0  1.2

assi (resi 120 and name HE#)  (resi 121 and name HB#)  4.8  3.0  1.0
assi (resi 120 and name HE#)  (resi 124 and name HG2#) 4.8  3.0  1.0
!assi (resi 120 and name HE#)  (resi 121 and name HG)   4.8  3.0  1.0

! Leu's
assi (resi 128 and name HG2#)  (resi 121 and name HB#)  4.8  3.0  1.0
assi (resi 128 and name HG2#)  (resi 130 and name HA)   5.8  4.0  1.2
assi (resi 128 and name HG2#)  (resi 132 and name HA)   5.8  4.0  1.2
assi (resi 128 and name HG2#)  (resi 132 and name HB#)  4.8  3.0  1.0
assi (resi 128 and name HD# )  (resi 124 and name HG2#) 5.8  4.0  1.2

!Ile
assi (resi 133 and name HG2#)  (resi 130 and name HA)   4.8  3.0  1.0
assi (resi 133 and name HG2#)  (resi 118 and name HA)   4.8  3.0  1.0 
assi (resi 133 and name HG2#)  (resi 114 and name HA)   4.8  3.0  1.0
assi (resi 133 and name HG2#)  (resi 117 and name HB#)  3.8  2.0  0.8
assi (resi 133 and name HG2#)  (resi 117 and name HG)   3.8  2.0  0.8
assi (resi 148 and name HG1#)  (resi 137 and name HE#)  3.0  1.2  0.6
assi (resi 148 and name HD#)   (resi 137 and name HG#)  4.8  3.0  1.0
assi (resi 148 and name HD#)  ( resi 137 and name HE#)  3.8  2.0  0.8  
assi (resi 119 and name HG2#)  (resi 106 and name HB#)  4.8  3.0  1.0




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