NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26588 |
2nnz   |
7271 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!! Phi restraints: minimum deviation = 3 degrees
!! maximum deviation = 29 degrees
!! 8
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 1.0 -97.0 28.0 2
!! 9
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -109.0 32.0 2
!! 10
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 1.0 -117.0 24.0 2
!! 11
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -112.0 26.0 2
!! 12
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca) (resid 12 and name c ) 1.0 -101.0 48.0 2
!! 13
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 1.0 -104.0 40.0 2
!! 16
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 1.0 -88.0 38.0 2
!! 17
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 1.0 -124.0 62.0 2
!! 18
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -133.0 38.0 2
!! 19
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 1.0 -138.0 44.0 2
!! 20
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 1.0 -124.0 30.0 2
!! 21
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -135.0 20.0 2
!! 22
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -133.0 42.0 2
!! 25
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c ) 1.0 -57.0 20.0 2
!! 26
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca) (resid 26 and name c ) 1.0 -67.0 20.0 2
!! 27
assign (resid 26 and name c ) (resid 27 and name n )
(resid 27 and name ca) (resid 27 and name c ) 1.0 -81.0 38.0 2
!! 29
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca) (resid 29 and name c ) 1.0 -60.0 20.0 2
!! 30
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 1.0 -66.0 20.0 2
!! 31
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1.0 -69.0 20.0 2
!! 32
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 1.0 -64.0 20.0 2
!! 33
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1.0 -58.0 20.0 2
!! 34
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1.0 -65.0 20.0 2
!! 35
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 1.0 -66.0 20.0 2
!! 36
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 1.0 -61.0 20.0 2
!! 37
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 1.0 -66.0 20.0 2
!! 39
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -96.0 66.0 2
!! 41
assign (resid 40 and name c ) (resid 41 and name n )
(resid 41 and name ca) (resid 41 and name c ) 1.0 -126.0 24.0 2
!! 42
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -112.0 26.0 2
!! 43
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca) (resid 43 and name c ) 1.0 -102.0 44.0 2
!! 44
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca) (resid 44 and name c ) 1.0 -123.0 20.0 2
!! 45
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -94.0 22.0 2
!! 46
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1.0 -108.0 38.0 2
!! 47
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -108.0 28.0 2
!! 48
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -107.0 50.0 2
!! 51
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 1.0 -120.0 58.0 2
!! 52
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 1.0 -129.0 24.0 2
!! 53
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 1.0 -122.0 28.0 2
!! 54
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 1.0 -132.0 52.0 2
!! 58
assign (resid 57 and name c ) (resid 58 and name n )
(resid 58 and name ca) (resid 58 and name c ) 1.0 -80.0 30.0 2
!! 59
assign (resid 58 and name c ) (resid 59 and name n )
(resid 59 and name ca) (resid 59 and name c ) 1.0 -102.0 40.0 2
!! 60
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca) (resid 60 and name c ) 1.0 -117.0 20.0 2
!! 61
assign (resid 60 and name c ) (resid 61 and name n )
(resid 61 and name ca) (resid 61 and name c ) 1.0 -114.0 38.0 2
!! 62
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca) (resid 62 and name c ) 1.0 -120.0 62.0 2
!! 64
assign (resid 63 and name c ) (resid 64 and name n )
(resid 64 and name ca) (resid 64 and name c ) 1.0 -132.0 38.0 2
!! 69
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c ) 1.0 -119.0 50.0 2
!! 71
assign (resid 70 and name c ) (resid 71 and name n )
(resid 71 and name ca) (resid 71 and name c ) 1.0 -111.0 48.0 2
!! 72
assign (resid 71 and name c ) (resid 72 and name n )
(resid 72 and name ca) (resid 72 and name c ) 1.0 -59.0 20.0 2
!! 73
assign (resid 72 and name c ) (resid 73 and name n )
(resid 73 and name ca) (resid 73 and name c ) 1.0 94.0 20.0 2
!! 75
assign (resid 74 and name c ) (resid 75 and name n )
(resid 75 and name ca) (resid 75 and name c ) 1.0 -116.0 20.0 2
!! 76
assign (resid 75 and name c ) (resid 76 and name n )
(resid 76 and name ca) (resid 76 and name c ) 1.0 -126.0 26.0 2
!! 77
assign (resid 76 and name c ) (resid 77 and name n )
(resid 77 and name ca) (resid 77 and name c ) 1.0 -125.0 28.0 2
!! 78
assign (resid 77 and name c ) (resid 78 and name n )
(resid 78 and name ca) (resid 78 and name c ) 1.0 -99.0 38.0 2
!! 83
assign (resid 82 and name c ) (resid 83 and name n )
(resid 83 and name ca) (resid 83 and name c ) 1.0 -133.0 24.0 2
!! 84
assign (resid 83 and name c ) (resid 84 and name n )
(resid 84 and name ca) (resid 84 and name c ) 1.0 -114.0 32.0 2
!! 85
assign (resid 84 and name c ) (resid 85 and name n )
(resid 85 and name ca) (resid 85 and name c ) 1.0 -117.0 26.0 2
!! 86
assign (resid 85 and name c ) (resid 86 and name n )
(resid 86 and name ca) (resid 86 and name c ) 1.0 -125.0 38.0 2
!! 87
assign (resid 86 and name c ) (resid 87 and name n )
(resid 87 and name ca) (resid 87 and name c ) 1.0 -106.0 30.0 2
!! 98
assign (resid 97 and name c ) (resid 98 and name n )
(resid 98 and name ca) (resid 98 and name c ) 1.0 -89.0 34.0 2
!! 99
assign (resid 98 and name c ) (resid 99 and name n )
(resid 99 and name ca) (resid 99 and name c ) 1.0 -106.0 50.0 2
!! 102
assign (resid 101 and name c ) (resid 102 and name n )
(resid 102 and name ca) (resid 102 and name c ) 1.0 -97.0 34.0 2
!! 104
assign (resid 103 and name c ) (resid 104 and name n )
(resid 104 and name ca) (resid 104 and name c ) 1.0 -132.0 26.0 2
!! 105
assign (resid 104 and name c ) (resid 105 and name n )
(resid 105 and name ca) (resid 105 and name c ) 1.0 -110.0 38.0 2
!! 109
assign (resid 108 and name c ) (resid 109 and name n )
(resid 109 and name ca) (resid 109 and name c ) 1.0 -126.0 44.0 2
!! 110
assign (resid 109 and name c ) (resid 110 and name n )
(resid 110 and name ca) (resid 110 and name c ) 1.0 -92.0 46.0 2
!! 117
assign (resid 116 and name c ) (resid 117 and name n )
(resid 117 and name ca) (resid 117 and name c ) 1.0 -63.0 20.0 2
!! 118
assign (resid 117 and name c ) (resid 118 and name n )
(resid 118 and name ca) (resid 118 and name c ) 1.0 -63.0 20.0 2
!! 120
assign (resid 119 and name c ) (resid 120 and name n )
(resid 120 and name ca) (resid 120 and name c ) 1.0 -81.0 24.0 2
!! 121
assign (resid 120 and name c ) (resid 121 and name n )
(resid 121 and name ca) (resid 121 and name c ) 1.0 -108.0 34.0 2
!! 126
assign (resid 125 and name c ) (resid 126 and name n )
(resid 126 and name ca) (resid 126 and name c ) 1.0 -128.0 30.0 2
!! 127
assign (resid 126 and name c ) (resid 127 and name n )
(resid 127 and name ca) (resid 127 and name c ) 1.0 -121.0 20.0 2
!! 128
assign (resid 127 and name c ) (resid 128 and name n )
(resid 128 and name ca) (resid 128 and name c ) 1.0 -110.0 30.0 2
!! 129
assign (resid 128 and name c ) (resid 129 and name n )
(resid 129 and name ca) (resid 129 and name c ) 1.0 -140.0 36.0 2
!! 106 CSI
assign (resid 105 and name c ) (resid 106 and name n )
(resid 106 and name ca) (resid 106 and name c ) 1.0 -105.0 80.0 2
!! 107 CSI
assign (resid 106 and name c ) (resid 107 and name n )
(resid 107 and name ca) (resid 107 and name c ) 1.0 -105.0 120.0 2
!! 116 CSI
assign (resid 115 and name c ) (resid 116 and name n )
(resid 116 and name ca) (resid 116 and name c ) 1.0 -60.0 80.0 2
!! Psi restraints: minimum deviation = 3 degrees
!! maximum deviation = 30 degrees
!! 8
assign (resid 8 and name n ) (resid 8 and name ca)
(resid 8 and name c ) (resid 9 and name n ) 1.0 118.0 28.0 2
!! 9
assign (resid 9 and name n ) (resid 9 and name ca)
(resid 9 and name c ) (resid 10 and name n ) 1.0 125.0 20.0 2
!! 10
assign (resid 10 and name n ) (resid 10 and name ca)
(resid 10 and name c ) (resid 11 and name n ) 1.0 141.0 34.0 2
!! 11
assign (resid 11 and name n ) (resid 11 and name ca)
(resid 11 and name c ) (resid 12 and name n ) 1.0 127.0 34.0 2
!! 12
assign (resid 12 and name n ) (resid 12 and name ca)
(resid 12 and name c ) (resid 13 and name n ) 1.0 125.0 32.0 2
!! 13
assign (resid 13 and name n ) (resid 13 and name ca)
(resid 13 and name c ) (resid 14 and name n ) 1.0 132.0 24.0 2
!! 16
assign (resid 16 and name n ) (resid 16 and name ca)
(resid 16 and name c ) (resid 17 and name n ) 1.0 -13.0 36.0 2
!! 17
assign (resid 17 and name n ) (resid 17 and name ca)
(resid 17 and name c ) (resid 18 and name n ) 1.0 151.0 22.0 2
!! 18
assign (resid 18 and name n ) (resid 18 and name ca)
(resid 18 and name c ) (resid 19 and name n ) 1.0 149.0 34.0 2
!! 19
assign (resid 19 and name n ) (resid 19 and name ca)
(resid 19 and name c ) (resid 20 and name n ) 1.0 152.0 36.0 2
!! 20
assign (resid 20 and name n ) (resid 20 and name ca)
(resid 20 and name c ) (resid 21 and name n ) 1.0 137.0 34.0 2
!! 21
assign (resid 21 and name n ) (resid 21 and name ca)
(resid 21 and name c ) (resid 22 and name n ) 1.0 150.0 20.0 2
!! 22
assign (resid 22 and name n ) (resid 22 and name ca)
(resid 22 and name c ) (resid 23 and name n ) 1.0 153.0 28.0 2
!! 25
assign (resid 25 and name n ) (resid 25 and name ca)
(resid 25 and name c ) (resid 26 and name n ) 1.0 -34.0 24.0 2
!! 26
assign (resid 26 and name n ) (resid 26 and name ca)
(resid 26 and name c ) (resid 27 and name n ) 1.0 -32.0 22.0 2
!! 27
assign (resid 27 and name n ) (resid 27 and name ca)
(resid 27 and name c ) (resid 28 and name n ) 1.0 -24.0 32.0 2
!! 29
assign (resid 29 and name n ) (resid 29 and name ca)
(resid 29 and name c ) (resid 30 and name n ) 1.0 -33.0 20.0 2
!! 30
assign (resid 30 and name n ) (resid 30 and name ca)
(resid 30 and name c ) (resid 31 and name n ) 1.0 -35.0 20.0 2
!! 31
assign (resid 31 and name n ) (resid 31 and name ca)
(resid 31 and name c ) (resid 32 and name n ) 1.0 -43.0 20.0 2
!! 32
assign (resid 32 and name n ) (resid 32 and name ca)
(resid 32 and name c ) (resid 33 and name n ) 1.0 -45.0 20.0 2
!! 33
assign (resid 33 and name n ) (resid 33 and name ca)
(resid 33 and name c ) (resid 34 and name n ) 1.0 -43.0 20.0 2
!! 34
assign (resid 34 and name n ) (resid 34 and name ca)
(resid 34 and name c ) (resid 35 and name n ) 1.0 -40.0 20.0 2
!! 35
assign (resid 35 and name n ) (resid 35 and name ca)
(resid 35 and name c ) (resid 36 and name n ) 1.0 -45.0 20.0 2
!! 36
assign (resid 36 and name n ) (resid 36 and name ca)
(resid 36 and name c ) (resid 37 and name n ) 1.0 -40.0 20.0 2
!! 37
assign (resid 37 and name n ) (resid 37 and name ca)
(resid 37 and name c ) (resid 38 and name n ) 1.0 -30.0 28.0 2
!! 39
assign (resid 39 and name n ) (resid 39 and name ca)
(resid 39 and name c ) (resid 40 and name n ) 1.0 140.0 58.0 2
!! 41
assign (resid 41 and name n ) (resid 41 and name ca)
(resid 41 and name c ) (resid 42 and name n ) 1.0 130.0 30.0 2
!! 42
assign (resid 42 and name n ) (resid 42 and name ca)
(resid 42 and name c ) (resid 43 and name n ) 1.0 132.0 24.0 2
!! 43
assign (resid 43 and name n ) (resid 43 and name ca)
(resid 43 and name c ) (resid 44 and name n ) 1.0 128.0 20.0 2
!! 44
assign (resid 44 and name n ) (resid 44 and name ca)
(resid 44 and name c ) (resid 45 and name n ) 1.0 133.0 28.0 2
!! 45
assign (resid 45 and name n ) (resid 45 and name ca)
(resid 45 and name c ) (resid 46 and name n ) 1.0 133.0 24.0 2
!! 46
assign (resid 46 and name n ) (resid 46 and name ca)
(resid 46 and name c ) (resid 47 and name n ) 1.0 134.0 34.0 2
!! 47
assign (resid 47 and name n ) (resid 47 and name ca)
(resid 47 and name c ) (resid 48 and name n ) 1.0 124.0 20.0 2
!! 48
assign (resid 48 and name n ) (resid 48 and name ca)
(resid 48 and name c ) (resid 49 and name n ) 1.0 120.0 28.0 2
!! 51
assign (resid 51 and name n ) (resid 51 and name ca)
(resid 51 and name c ) (resid 52 and name n ) 1.0 152.0 40.0 2
!! 52
assign (resid 52 and name n ) (resid 52 and name ca)
(resid 52 and name c ) (resid 53 and name n ) 1.0 142.0 32.0 2
!! 53
assign (resid 53 and name n ) (resid 53 and name ca)
(resid 53 and name c ) (resid 54 and name n ) 1.0 136.0 20.0 2
!! 54
assign (resid 54 and name n ) (resid 54 and name ca)
(resid 54 and name c ) (resid 55 and name n ) 1.0 148.0 30.0 2
!! 58
assign (resid 58 and name n ) (resid 58 and name ca)
(resid 58 and name c ) (resid 59 and name n ) 1.0 129.0 20.0 2
!! 59
assign (resid 59 and name n ) (resid 59 and name ca)
(resid 59 and name c ) (resid 60 and name n ) 1.0 137.0 42.0 2
!! 60
assign (resid 60 and name n ) (resid 60 and name ca)
(resid 60 and name c ) (resid 61 and name n ) 1.0 127.0 20.0 2
!! 61
assign (resid 61 and name n ) (resid 61 and name ca)
(resid 61 and name c ) (resid 62 and name n ) 1.0 138.0 32.0 2
!! 62
assign (resid 62 and name n ) (resid 62 and name ca)
(resid 62 and name c ) (resid 63 and name n ) 1.0 131.0 44.0 2
!! 64
assign (resid 64 and name n ) (resid 64 and name ca)
(resid 64 and name c ) (resid 65 and name n ) 1.0 143.0 34.0 2
!! 69
assign (resid 69 and name n ) (resid 69 and name ca)
(resid 69 and name c ) (resid 70 and name n ) 1.0 155.0 26.0 2
!! 71
assign (resid 71 and name n ) (resid 71 and name ca)
(resid 71 and name c ) (resid 72 and name n ) 1.0 161.0 32.0 2
!! 72
assign (resid 72 and name n ) (resid 72 and name ca)
(resid 72 and name c ) (resid 73 and name n ) 1.0 136.0 20.0 2
!! 73
assign (resid 73 and name n ) (resid 73 and name ca)
(resid 73 and name c ) (resid 74 and name n ) 1.0 -12.0 20.0 2
!! 75
assign (resid 75 and name n ) (resid 75 and name ca)
(resid 75 and name c ) (resid 76 and name n ) 1.0 132.0 20.0 2
!! 76
assign (resid 76 and name n ) (resid 76 and name ca)
(resid 76 and name c ) (resid 77 and name n ) 1.0 137.0 24.0 2
!! 77
assign (resid 77 and name n ) (resid 77 and name ca)
(resid 77 and name c ) (resid 78 and name n ) 1.0 133.0 32.0 2
!! 78
assign (resid 78 and name n ) (resid 78 and name ca)
(resid 78 and name c ) (resid 79 and name n ) 1.0 119.0 36.0 2
!! 83
assign (resid 83 and name n ) (resid 83 and name ca)
(resid 83 and name c ) (resid 84 and name n ) 1.0 153.0 34.0 2
!! 84
assign (resid 84 and name n ) (resid 84 and name ca)
(resid 84 and name c ) (resid 85 and name n ) 1.0 129.0 40.0 2
!! 85
assign (resid 85 and name n ) (resid 85 and name ca)
(resid 85 and name c ) (resid 86 and name n ) 1.0 142.0 30.0 2
!! 86
assign (resid 86 and name n ) (resid 86 and name ca)
(resid 86 and name c ) (resid 87 and name n ) 1.0 144.0 34.0 2
!! 87
assign (resid 87 and name n ) (resid 87 and name ca)
(resid 87 and name c ) (resid 88 and name n ) 1.0 137.0 22.0 2
!! 98
assign (resid 98 and name n ) (resid 98 and name ca)
(resid 98 and name c ) (resid 99 and name n ) 1.0 123.0 32.0 2
!! 99
assign (resid 99 and name n ) (resid 99 and name ca)
(resid 99 and name c ) (resid 100 and name n ) 1.0 142.0 42.0 2
!! 102
assign (resid 102 and name n ) (resid 102 and name ca)
(resid 102 and name c ) (resid 103 and name n ) 1.0 3.0 22.0 2
!! 104
assign (resid 104 and name n ) (resid 104 and name ca)
(resid 104 and name c ) (resid 105 and name n ) 1.0 157.0 20.0 2
!! 105
assign (resid 105 and name n ) (resid 105 and name ca)
(resid 105 and name c ) (resid 106 and name n ) 1.0 118.0 38.0 2
!! 109
assign (resid 109 and name n ) (resid 109 and name ca)
(resid 109 and name c ) (resid 110 and name n ) 1.0 142.0 26.0 2
!! 110
assign (resid 110 and name n ) (resid 110 and name ca)
(resid 110 and name c ) (resid 111 and name n ) 1.0 131.0 22.0 2
!! 117
assign (resid 117 and name n ) (resid 117 and name ca)
(resid 117 and name c ) (resid 118 and name n ) 1.0 -34.0 30.0 2
!! 118
assign (resid 118 and name n ) (resid 118 and name ca)
(resid 118 and name c ) (resid 119 and name n ) 1.0 -35.0 28.0 2
!! 120
assign (resid 120 and name n ) (resid 120 and name ca)
(resid 120 and name c ) (resid 121 and name n ) 1.0 133.0 20.0 2
!! 121
assign (resid 121 and name n ) (resid 121 and name ca)
(resid 121 and name c ) (resid 122 and name n ) 1.0 130.0 64.0 2
!! 126
assign (resid 126 and name n ) (resid 126 and name ca)
(resid 126 and name c ) (resid 127 and name n ) 1.0 142.0 28.0 2
!! 127
assign (resid 127 and name n ) (resid 127 and name ca)
(resid 127 and name c ) (resid 128 and name n ) 1.0 126.0 20.0 2
!! 128
assign (resid 128 and name n ) (resid 128 and name ca)
(resid 128 and name c ) (resid 129 and name n ) 1.0 128.0 20.0 2
!! 129
assign (resid 129 and name n ) (resid 129 and name ca)
(resid 129 and name c ) (resid 130 and name n ) 1.0 152.0 34.0 2
!! 106 CSI
assign (resid 106 and name n ) (resid 106 and name ca)
(resid 106 and name c ) (resid 107 and name n ) 1.0 135.0 80.0 2
!! 107 CSI
assign (resid 107 and name n ) (resid 107 and name ca)
(resid 107 and name c ) (resid 108 and name n ) 1.0 135.0 120.0 2
!! 116 CSI
assign (resid 116 and name n ) (resid 116 and name ca)
(resid 116 and name c ) (resid 117 and name n ) 1.0 -35.0 80.0 2
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