NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
495806 |
2xfm   |
cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!! chi_dih.inp: RNA chi restraints for anti/syn conformations
!! anti (190.0 +/- 100.0) c3' endo /anti (190.0 +/- 60.0) c2' endo, syn (20.0 +/- 100.0)
assign (resid 208 and name O4') (resid 208 and name C1')
(resid 208 and name N1) (resid 208 and name C2) 1.0 20.0 100.0 2 ! A208 syn, c3' endo
assign (resid 210 and name O4') (resid 210 and name C1')
(resid 210 and name N1) (resid 210 and name C2) 1.0 190.0 60.0 2 ! C210 anti, c2' endo
assign (resid 211 and name O4') (resid 211 and name C1')
(resid 211 and name N1) (resid 211 and name C2) 1.0 20.0 100.0 2 ! G211 syn, c3' endo
assign (resid 212 and name O4') (resid 212 and name C1')
(resid 212 and name N9) (resid 212 and name C4) 1.0 20.0 100.0 2 ! A212 syn, c3' endo
assign (resid 213 and name O4') (resid 213 and name C1')
(resid 213 and name N1) (resid 213 and name C2) 1.0 190.0 60.0 2 ! C213 anti, c2' endo
!! sug_dih.inp: RNA sugar pucker restraints for N (C3' endo) or S (C2' endo) type conformations
!! phi_12_N (99.0 +/- 20.0), phi_23_N (38.0 +/- 20.0), delta_N (82.0 +/- 30.0)
!! phi_12_S (160.0 +/- 20.0), phi_23_S (-25.0 +/- 20.0), delta_S (140.0 +/- 50.0)
assign (resid 208 and name H1') (resid 208 and name C1')
(resid 208 and name C2') (resid 208 and name H2') 1.0 99.0 20.0 2 !
assign (resid 208 and name H2') (resid 208 and name C2')
(resid 208 and name C3') (resid 208 and name H3') 1.0 38.0 20.0 2 ! A208 N/C3' endo
assign (resid 208 and name C5') (resid 208 and name C4')
(resid 208 and name C3') (resid 208 and name O3') 1.0 82.0 30.0 2 ! A208 N delta
!
assign (resid 211 and name H1') (resid 211 and name C1')
(resid 211 and name C2') (resid 211 and name H2') 1.0 99.0 20.0 2 !
assign (resid 211 and name H2') (resid 211 and name C2')
(resid 211 and name C3') (resid 211 and name H3') 1.0 38.0 20.0 2 ! G211 N/C3' endo
assign (resid 211 and name C5') (resid 211 and name C4')
(resid 211 and name C3') (resid 211 and name O3') 1.0 82.0 30.0 2 ! G211 N delta
assign (resid 212 and name H1') (resid 212 and name C1')
(resid 212 and name C2') (resid 212 and name H2') 1.0 99.0 20.0 2 !
assign (resid 212 and name H2') (resid 212 and name C2')
(resid 212 and name C3') (resid 212 and name H3') 1.0 38.0 20.0 2 ! A212 N/C3' endo
assign (resid 212 and name C5') (resid 212 and name C4')
(resid 212 and name C3') (resid 212 and name O3') 1.0 82.0 30.0 2 ! A212 N delta
! bb_dih.inp: RNA backbone dihedral ranges
! !! alpha (0.0 +/- 120.0), beta (180.0 +/- 30.0), gamma (60.0 +/- 30.0)
! !! epsilon (180.0 +/- 30.0), zeta (0.0 +/- 120.0)
assign (resid 208 and name P ) (resid 208 and name O5')
(resid 208 and name C5') (resid 208 and name C4') 1.0 170.0 120.0 2 ! [208] beta
assign (resid 208 and name O5') (resid 208 and name C5')
(resid 208 and name C4') (resid 208 and name C3') 1.0 177.5 157.5 2 ! [208] gamma
assign (resid 208 and name C4') (resid 208 and name C3')
(resid 208 and name O3') (resid 209 and name P ) 1.0 232.5 77.5 2 ! [208] epsilon
assign (resid 208 and name C3') (resid 208 and name O3')
(resid 209 and name P ) (resid 209 and name O5') 1.0 180.0 155.0 2 ! [208] zeta
assign (resid 208 and name C5') (resid 208 and name C4')
(resid 208 and name C3') (resid 208 and name O3') 1.0 115.0 60.0 2 ! A208 delta
assign (resid 208 and name O3') (resid 209 and name P )
(resid 209 and name O5') (resid 209 and name C5') 1.0 180.0 155.0 2 ! [209] alpha
assign (resid 209 and name P ) (resid 209 and name O5')
(resid 209 and name C5') (resid 209 and name C4') 1.0 170.0 120.0 2 ! [209] beta
assign (resid 209 and name O5') (resid 209 and name C5')
(resid 209 and name C4') (resid 209 and name C3') 1.0 177.5 157.5 2 ! [209] gamma
assign (resid 209 and name C4') (resid 209 and name C3')
(resid 209 and name O3') (resid 210 and name P ) 1.0 232.5 77.5 2 ! [209] epsilon
assign (resid 209 and name C3') (resid 209 and name O3')
(resid 210 and name P ) (resid 210 and name O5') 1.0 180.0 155.0 2 ! [209] zeta
assign (resid 209 and name C5') (resid 209 and name C4')
(resid 209 and name C3') (resid 209 and name O3') 1.0 115.0 60.0 2 ! A209 delta
assign (resid 209 and name O3') (resid 210 and name P )
(resid 210 and name O5') (resid 210 and name C5') 1.0 180.0 155.0 2 ! [210] alpha
assign (resid 210 and name P ) (resid 210 and name O5')
(resid 210 and name C5') (resid 210 and name C4') 1.0 170.0 120.0 2 ! [210] beta
assign (resid 210 and name O5') (resid 210 and name C5')
(resid 210 and name C4') (resid 210 and name C3') 1.0 177.5 157.5 2 ! [210] gamma
assign (resid 210 and name C4') (resid 210 and name C3')
(resid 210 and name O3') (resid 211 and name P ) 1.0 232.5 77.5 2 ! [210] epsilon
assign (resid 210 and name C3') (resid 210 and name O3')
(resid 211 and name P ) (resid 211 and name O5') 1.0 180.0 155.0 2 ! [210] zeta
assign (resid 210 and name C5') (resid 210 and name C4')
(resid 210 and name C3') (resid 210 and name O3') 1.0 115.0 60.0 2 ! A210 delta
assign (resid 210 and name O3') (resid 211 and name P )
(resid 211 and name O5') (resid 211 and name C5') 1.0 180.0 155.0 2 ! [211] alpha
assign (resid 211 and name P ) (resid 211 and name O5')
(resid 211 and name C5') (resid 211 and name C4') 1.0 170.0 120.0 2 ! [211] beta
assign (resid 211 and name O5') (resid 211 and name C5')
(resid 211 and name C4') (resid 211 and name C3') 1.0 177.5 157.5 2 ! [211] gamma
assign (resid 211 and name C4') (resid 211 and name C3')
(resid 211 and name O3') (resid 212 and name P ) 1.0 232.5 77.5 2 ! [211] epsilon
assign (resid 211 and name C3') (resid 211 and name O3')
(resid 212 and name P ) (resid 212 and name O5') 1.0 180.0 155.0 2 ! [211] zeta
assign (resid 211 and name C5') (resid 211 and name C4')
(resid 211 and name C3') (resid 211 and name O3') 1.0 115.0 60.0 2 ! A211 delta
assign (resid 211 and name O3') (resid 212 and name P )
(resid 212 and name O5') (resid 212 and name C5') 1.0 180.0 155.0 2 ! [212] alpha
assign (resid 212 and name P ) (resid 212 and name O5')
(resid 212 and name C5') (resid 212 and name C4') 1.0 170.0 120.0 2 ! [212] beta
assign (resid 212 and name O5') (resid 212 and name C5')
(resid 212 and name C4') (resid 212 and name C3') 1.0 177.5 157.5 2 ! [212] gamma
assign (resid 212 and name C4') (resid 212 and name C3')
(resid 212 and name O3') (resid 213 and name P ) 1.0 232.5 77.5 2 ! [212] epsilon
assign (resid 212 and name C3') (resid 212 and name O3')
(resid 213 and name P ) (resid 213 and name O5') 1.0 180.0 155.0 2 ! [212] zeta
assign (resid 212 and name C5') (resid 212 and name C4')
(resid 212 and name C3') (resid 212 and name O3') 1.0 115.0 60.0 2 ! A212 delta
assign (resid 212 and name O3') (resid 213 and name P )
(resid 213 and name O5') (resid 213 and name C5') 1.0 180.0 155.0 2 ! [213] alpha
assign (resid 213 and name P ) (resid 213 and name O5')
(resid 213 and name C5') (resid 213 and name C4') 1.0 170.0 120.0 2 ! [213] beta
assign (resid 213 and name O5') (resid 213 and name C5')
(resid 213 and name C4') (resid 213 and name C3') 1.0 177.5 157.5 2 ! [213] gamma
assign (resid 213 and name C4') (resid 213 and name C3')
(resid 213 and name O3') (resid 214 and name P ) 1.0 232.5 77.5 2 ! [213] epsilon
assign (resid 213 and name C3') (resid 213 and name O3')
(resid 214 and name P ) (resid 214 and name O5') 1.0 180.0 155.0 2 ! [213] zeta
assign (resid 213 and name C5') (resid 213 and name C4')
(resid 213 and name C3') (resid 213 and name O3') 1.0 115.0 60.0 2 ! A213 delta
assign (resid 213 and name O3') (resid 214 and name P )
(resid 214 and name O5') (resid 214 and name C5') 1.0 180.0 155.0 2 ! [214] alpha
assign (resid 214 and name P ) (resid 214 and name O5')
(resid 214 and name C5') (resid 214 and name C4') 1.0 170.0 120.0 2 ! [214] beta
assign (resid 214 and name O5') (resid 214 and name C5')
(resid 214 and name C4') (resid 214 and name C3') 1.0 177.5 157.5 2 ! [214] gamma
assign (resid 214 and name C4') (resid 214 and name C3')
(resid 214 and name O3') (resid 215 and name P ) 1.0 232.5 77.5 2 ! [214] epsilon
assign (resid 214 and name C3') (resid 214 and name O3')
(resid 215 and name P ) (resid 215 and name O5') 1.0 180.0 155.0 2 ! [214] zeta
assign (resid 214 and name C5') (resid 214 and name C4')
(resid 214 and name C3') (resid 214 and name O3') 1.0 115.0 60.0 2 ! A214 delta
assign (resid 214 and name O3') (resid 215 and name P )
(resid 215 and name O5') (resid 215 and name C5') 1.0 180.0 155.0 2 ! [215] alpha
assign (resid 215 and name P ) (resid 215 and name O5')
(resid 215 and name C5') (resid 215 and name C4') 1.0 170.0 120.0 2 ! [215] beta
assign (resid 215 and name O5') (resid 215 and name C5')
(resid 215 and name C4') (resid 215 and name C3') 1.0 177.5 157.5 2 ! [215] gamma
assign (resid 215 and name C5') (resid 215 and name C4')
(resid 215 and name C3') (resid 215 and name O3') 1.0 115.0 60.0 2 ! A215 delta
! using 1.5 times the talos error!
! 3 E TALOS PHI = -109.00 +/- 35.00
ASSIGN (resid 2 and name C ) (resid 3 and name N )
(resid 3 and name CA) (resid 3 and name C ) 1.00 -109.00 52.50 2
! 3 E TALOS PSI = 136.00 +/- 29.00
ASSIGN (resid 3 and name N ) (resid 3 and name CA )
(resid 3 and name C) (resid 4 and name N ) 1.00 136.00 43.50 2
! 4 T TALOS PHI = -90.00 +/- 10.00
ASSIGN (resid 3 and name C ) (resid 4 and name N )
(resid 4 and name CA) (resid 4 and name C ) 1.00 -90.00 15.00 2
! 4 T TALOS PSI = 167.00 +/- 6.00
ASSIGN (resid 4 and name N ) (resid 4 and name CA )
(resid 4 and name C) (resid 5 and name N ) 1.00 167.00 9.00 2
! 5 V TALOS PHI = -58.00 +/- 6.00
ASSIGN (resid 4 and name C ) (resid 5 and name N )
(resid 5 and name CA) (resid 5 and name C ) 1.00 -58.00 9.00 2
! 5 V TALOS PSI = -40.00 +/- 6.00
ASSIGN (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name C) (resid 6 and name N ) 1.00 -40.00 9.00 2
! 6 L TALOS PHI = -64.00 +/- 5.00
ASSIGN (resid 5 and name C ) (resid 6 and name N )
(resid 6 and name CA) (resid 6 and name C ) 1.00 -64.00 7.50 2
! 6 L TALOS PSI = -39.00 +/- 8.00
ASSIGN (resid 6 and name N ) (resid 6 and name CA )
(resid 6 and name C) (resid 7 and name N ) 1.00 -39.00 12.00 2
! 7 D TALOS PHI = -64.00 +/- 4.00
ASSIGN (resid 6 and name C ) (resid 7 and name N )
(resid 7 and name CA) (resid 7 and name C ) 1.00 -64.00 6.00 2
! 7 D TALOS PSI = -40.00 +/- 4.00
ASSIGN (resid 7 and name N ) (resid 7 and name CA )
(resid 7 and name C) (resid 8 and name N ) 1.00 -40.00 6.00 2
! 8 F TALOS PHI = -67.00 +/- 3.00
ASSIGN (resid 7 and name C ) (resid 8 and name N )
(resid 8 and name CA) (resid 8 and name C ) 1.00 -67.00 4.50 2
! 8 F TALOS PSI = -42.00 +/- 5.00
ASSIGN (resid 8 and name N ) (resid 8 and name CA )
(resid 8 and name C) (resid 9 and name N ) 1.00 -42.00 7.50 2
! 9 M TALOS PHI = -65.00 +/- 6.00
ASSIGN (resid 8 and name C ) (resid 9 and name N )
(resid 9 and name CA) (resid 9 and name C ) 1.00 -65.00 9.00 2
! 9 M TALOS PSI = -39.00 +/- 5.00
ASSIGN (resid 9 and name N ) (resid 9 and name CA )
(resid 9 and name C) (resid 10 and name N ) 1.00 -39.00 7.50 2
! 10 F TALOS PHI = -63.00 +/- 6.00
ASSIGN (resid 9 and name C ) (resid 10 and name N )
(resid 10 and name CA) (resid 10 and name C ) 1.00 -63.00 9.00 2
! 10 F TALOS PSI = -43.00 +/- 5.00
ASSIGN (resid 10 and name N ) (resid 10 and name CA )
(resid 10 and name C) (resid 11 and name N ) 1.00 -43.00 7.50 2
! 11 N TALOS PHI = -64.00 +/- 5.00
ASSIGN (resid 10 and name C ) (resid 11 and name N )
(resid 11 and name CA) (resid 11 and name C ) 1.00 -64.00 7.50 2
! 11 N TALOS PSI = -47.00 +/- 8.00
ASSIGN (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C) (resid 12 and name N ) 1.00 -47.00 12.00 2
! 12 L TALOS PHI = -64.00 +/- 6.00
ASSIGN (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA) (resid 12 and name C ) 1.00 -64.00 9.00 2
! 12 L TALOS PSI = -38.00 +/- 7.00
ASSIGN (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C) (resid 13 and name N ) 1.00 -38.00 10.50 2
! 13 Y TALOS PHI = -61.00 +/- 8.00
ASSIGN (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA) (resid 13 and name C ) 1.00 -61.00 12.00 2
! 13 Y TALOS PSI = -39.00 +/- 7.00
ASSIGN (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name C) (resid 14 and name N ) 1.00 -39.00 10.50 2
! 14 Q TALOS PHI = -73.00 +/- 14.00
ASSIGN (resid 13 and name C ) (resid 14 and name N )
(resid 14 and name CA) (resid 14 and name C ) 1.00 -73.00 21.00 2
! 14 Q TALOS PSI = -25.00 +/- 15.00
ASSIGN (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name C) (resid 15 and name N ) 1.00 -25.00 22.50 2
! 15 Q TALOS PHI = -104.00 +/- 15.00
ASSIGN (resid 14 and name C ) (resid 15 and name N )
(resid 15 and name CA) (resid 15 and name C ) 1.00 -104.00 22.50 2
! 15 Q TALOS PSI = -19.00 +/- 27.00
ASSIGN (resid 15 and name N ) (resid 15 and name CA )
(resid 15 and name C) (resid 16 and name N ) 1.00 -19.00 40.50 2
! 18 E TALOS PHI = -56.00 +/- 4.00
ASSIGN (resid 17 and name C ) (resid 18 and name N )
(resid 18 and name CA) (resid 18 and name C ) 1.00 -56.00 6.00 2
! 18 E TALOS PSI = -37.00 +/- 7.00
ASSIGN (resid 18 and name N ) (resid 18 and name CA )
(resid 18 and name C) (resid 19 and name N ) 1.00 -37.00 10.50 2
! 19 H TALOS PHI = -72.00 +/- 8.00
ASSIGN (resid 18 and name C ) (resid 19 and name N )
(resid 19 and name CA) (resid 19 and name C ) 1.00 -72.00 12.00 2
! 19 H TALOS PSI = -19.00 +/- 20.00
ASSIGN (resid 19 and name N ) (resid 19 and name CA )
(resid 19 and name C) (resid 20 and name N ) 1.00 -19.00 30.00 2
! 20 K TALOS PHI = -102.00 +/- 12.00
ASSIGN (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA) (resid 20 and name C ) 1.00 -102.00 18.00 2
! 20 K TALOS PSI = 5.00 +/- 19.00
ASSIGN (resid 20 and name N ) (resid 20 and name CA )
(resid 20 and name C) (resid 21 and name N ) 1.00 5.00 28.50 2
! 21 F TALOS PHI = -58.00 +/- 7.00
ASSIGN (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA) (resid 21 and name C ) 1.00 -58.00 10.50 2
! 21 F TALOS PSI = -41.00 +/- 7.00
ASSIGN (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C) (resid 22 and name N ) 1.00 -41.00 10.50 2
! 22 Q TALOS PHI = -63.00 +/- 7.00
ASSIGN (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA) (resid 22 and name C ) 1.00 -63.00 10.50 2
! 22 Q TALOS PSI = -39.00 +/- 6.00
ASSIGN (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C) (resid 23 and name N ) 1.00 -39.00 9.00 2
! 23 E TALOS PHI = -65.00 +/- 5.00
ASSIGN (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA) (resid 23 and name C ) 1.00 -65.00 7.50 2
! 23 E TALOS PSI = -42.00 +/- 5.00
ASSIGN (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C) (resid 24 and name N ) 1.00 -42.00 7.50 2
! 24 Q TALOS PHI = -65.00 +/- 7.00
ASSIGN (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA) (resid 24 and name C ) 1.00 -65.00 10.50 2
! 24 Q TALOS PSI = -44.00 +/- 8.00
ASSIGN (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C) (resid 25 and name N ) 1.00 -44.00 12.00 2
! 25 V TALOS PHI = -63.00 +/- 5.00
ASSIGN (resid 24 and name C ) (resid 25 and name N )
(resid 25 and name CA) (resid 25 and name C ) 1.00 -63.00 7.50 2
! 25 V TALOS PSI = -41.00 +/- 6.00
ASSIGN (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name C) (resid 26 and name N ) 1.00 -41.00 9.00 2
! 26 S TALOS PHI = -60.00 +/- 6.00
ASSIGN (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA) (resid 26 and name C ) 1.00 -60.00 9.00 2
! 26 S TALOS PSI = -41.00 +/- 4.00
ASSIGN (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C) (resid 27 and name N ) 1.00 -41.00 6.00 2
! 27 K TALOS PHI = -63.00 +/- 6.00
ASSIGN (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA) (resid 27 and name C ) 1.00 -63.00 9.00 2
! 27 K TALOS PSI = -39.00 +/- 5.00
ASSIGN (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C) (resid 28 and name N ) 1.00 -39.00 7.50 2
! 28 E TALOS PHI = -79.00 +/- 11.00
ASSIGN (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA) (resid 28 and name C ) 1.00 -79.00 16.50 2
! 28 E TALOS PSI = -33.00 +/- 11.00
ASSIGN (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C) (resid 29 and name N ) 1.00 -33.00 16.50 2
! 29 L TALOS PHI = -88.00 +/- 14.00
ASSIGN (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA) (resid 29 and name C ) 1.00 -88.00 21.00 2
! 29 L TALOS PSI = -29.00 +/- 10.00
ASSIGN (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C) (resid 30 and name N ) 1.00 -29.00 15.00 2
! 32 L TALOS PHI = -87.00 +/- 20.00
ASSIGN (resid 31 and name C ) (resid 32 and name N )
(resid 32 and name CA) (resid 32 and name C ) 1.00 -87.00 30.00 2
! 32 L TALOS PSI = 139.00 +/- 11.00
ASSIGN (resid 32 and name N ) (resid 32 and name CA )
(resid 32 and name C) (resid 33 and name N ) 1.00 139.00 16.50 2
! 33 I TALOS PHI = -108.00 +/- 14.00
ASSIGN (resid 32 and name C ) (resid 33 and name N )
(resid 33 and name CA) (resid 33 and name C ) 1.00 -108.00 21.00 2
! 33 I TALOS PSI = 145.00 +/- 11.00
ASSIGN (resid 33 and name N ) (resid 33 and name CA )
(resid 33 and name C) (resid 34 and name N ) 1.00 145.00 16.50 2
! 34 V TALOS PHI = -130.00 +/- 9.00
ASSIGN (resid 33 and name C ) (resid 34 and name N )
(resid 34 and name CA) (resid 34 and name C ) 1.00 -130.00 13.50 2
! 34 V TALOS PSI = 157.00 +/- 12.00
ASSIGN (resid 34 and name N ) (resid 34 and name CA )
(resid 34 and name C) (resid 35 and name N ) 1.00 157.00 18.00 2
! 35 L TALOS PHI = -134.00 +/- 14.00
ASSIGN (resid 34 and name C ) (resid 35 and name N )
(resid 35 and name CA) (resid 35 and name C ) 1.00 -134.00 21.00 2
! 35 L TALOS PSI = 140.00 +/- 15.00
ASSIGN (resid 35 and name N ) (resid 35 and name CA )
(resid 35 and name C) (resid 36 and name N ) 1.00 140.00 22.50 2
! 41 K TALOS PHI = -87.00 +/- 21.00
ASSIGN (resid 40 and name C ) (resid 41 and name N )
(resid 41 and name CA) (resid 41 and name C ) 1.00 -87.00 31.50 2
! 41 K TALOS PSI = 155.00 +/- 10.00
ASSIGN (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C) (resid 42 and name N ) 1.00 155.00 15.00 2
! 42 T TALOS PHI = -137.00 +/- 18.00
ASSIGN (resid 41 and name C ) (resid 42 and name N )
(resid 42 and name CA) (resid 42 and name C ) 1.00 -137.00 27.00 2
! 42 T TALOS PSI = 154.00 +/- 12.00
ASSIGN (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C) (resid 43 and name N ) 1.00 154.00 18.00 2
! 43 Y TALOS PHI = -138.00 +/- 16.00
ASSIGN (resid 42 and name C ) (resid 43 and name N )
(resid 43 and name CA) (resid 43 and name C ) 1.00 -138.00 24.00 2
! 43 Y TALOS PSI = 145.00 +/- 15.00
ASSIGN (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C) (resid 44 and name N ) 1.00 145.00 22.50 2
! 44 R TALOS PHI = -108.00 +/- 22.00
ASSIGN (resid 43 and name C ) (resid 44 and name N )
(resid 44 and name CA) (resid 44 and name C ) 1.00 -108.00 33.00 2
! 44 R TALOS PSI = 123.00 +/- 14.00
ASSIGN (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C) (resid 45 and name N ) 1.00 123.00 21.00 2
! 45 V TALOS PHI = -83.00 +/- 15.00
ASSIGN (resid 44 and name C ) (resid 45 and name N )
(resid 45 and name CA) (resid 45 and name C ) 1.00 -83.00 22.50 2
! 45 V TALOS PSI = 121.00 +/- 8.00
ASSIGN (resid 45 and name N ) (resid 45 and name CA )
(resid 45 and name C) (resid 46 and name N ) 1.00 121.00 12.00 2
! 46 D TALOS PHI = -92.00 +/- 13.00
ASSIGN (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA) (resid 46 and name C ) 1.00 -92.00 19.50 2
! 46 D TALOS PSI = -38.00 +/- 8.00
ASSIGN (resid 46 and name N ) (resid 46 and name CA )
(resid 46 and name C) (resid 47 and name N ) 1.00 -38.00 12.00 2
! 47 D TALOS PHI = -140.00 +/- 22.00
ASSIGN (resid 46 and name C ) (resid 47 and name N )
(resid 47 and name CA) (resid 47 and name C ) 1.00 -140.00 33.00 2
! 47 D TALOS PSI = 149.00 +/- 13.00
ASSIGN (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name C) (resid 48 and name N ) 1.00 149.00 19.50 2
! 48 I TALOS PHI = -116.00 +/- 25.00
ASSIGN (resid 47 and name C ) (resid 48 and name N )
(resid 48 and name CA) (resid 48 and name C ) 1.00 -116.00 37.50 2
! 48 I TALOS PSI = 135.00 +/- 17.00
ASSIGN (resid 48 and name N ) (resid 48 and name CA )
(resid 48 and name C) (resid 49 and name N ) 1.00 135.00 25.50 2
! 49 D TALOS PHI = -99.00 +/- 25.00
ASSIGN (resid 48 and name C ) (resid 49 and name N )
(resid 49 and name CA) (resid 49 and name C ) 1.00 -99.00 37.50 2
! 49 D TALOS PSI = 123.00 +/- 19.00
ASSIGN (resid 49 and name N ) (resid 49 and name CA )
(resid 49 and name C) (resid 50 and name N ) 1.00 123.00 28.50 2
! 52 Q TALOS PHI = -120.00 +/- 32.00
ASSIGN (resid 51 and name C ) (resid 52 and name N )
(resid 52 and name CA) (resid 52 and name C ) 1.00 -120.00 48.00 2
! 52 Q TALOS PSI = 158.00 +/- 14.00
ASSIGN (resid 52 and name N ) (resid 52 and name CA )
(resid 52 and name C) (resid 53 and name N ) 1.00 158.00 21.00 2
! 53 N TALOS PHI = -87.00 +/- 31.00
ASSIGN (resid 52 and name C ) (resid 53 and name N )
(resid 53 and name CA) (resid 53 and name C ) 1.00 -87.00 46.50 2
! 53 N TALOS PSI = 130.00 +/- 43.00
ASSIGN (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C) (resid 54 and name N ) 1.00 130.00 64.50 2
! 54 P TALOS PHI = -58.00 +/- 8.00
ASSIGN (resid 53 and name C ) (resid 54 and name N )
(resid 54 and name CA) (resid 54 and name C ) 1.00 -58.00 12.00 2
! 54 P TALOS PSI = -30.00 +/- 12.00
ASSIGN (resid 54 and name N ) (resid 54 and name CA )
(resid 54 and name C) (resid 55 and name N ) 1.00 -30.00 18.00 2
! 55 K TALOS PHI = -89.00 +/- 20.00
ASSIGN (resid 54 and name C ) (resid 55 and name N )
(resid 55 and name CA) (resid 55 and name C ) 1.00 -89.00 30.00 2
! 55 K TALOS PSI = -17.00 +/- 26.00
ASSIGN (resid 55 and name N ) (resid 55 and name CA )
(resid 55 and name C) (resid 56 and name N ) 1.00 -17.00 39.00 2
! 56 S TALOS PHI = -72.00 +/- 1.00
ASSIGN (resid 55 and name C ) (resid 56 and name N )
(resid 56 and name CA) (resid 56 and name C ) 1.00 -72.00 1.50 2
! 56 S TALOS PSI = 142.00 +/- 5.00
ASSIGN (resid 56 and name N ) (resid 56 and name CA )
(resid 56 and name C) (resid 57 and name N ) 1.00 142.00 7.50 2
! 57 T TALOS PHI = -134.93 +/- 17.19
ASSIGN (resid 56 and name C ) (resid 57 and name N )
(resid 57 and name CA) (resid 57 and name C ) 1.00 -134.93 25.79 2
! 57 T TALOS PSI = 153.22 +/- 17.90
ASSIGN (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C) (resid 58 and name N ) 1.00 153.22 26.85 2
! 58 F TALOS PHI = -131.10 +/- 22.60
ASSIGN (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA) (resid 58 and name C ) 1.00 -131.10 33.90 2
! 58 F TALOS PSI = 154.55 +/- 16.52
ASSIGN (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C) (resid 59 and name N ) 1.00 154.55 24.78 2
! 64 S TALOS PHI = -91.00 +/- 26.00
ASSIGN (resid 63 and name C ) (resid 64 and name N )
(resid 64 and name CA) (resid 64 and name C ) 1.00 -91.00 39.00 2
! 64 S TALOS PSI = 146.00 +/- 12.00
ASSIGN (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name C) (resid 65 and name N ) 1.00 146.00 18.00 2
! 65 E TALOS PHI = -108.00 +/- 26.00
ASSIGN (resid 64 and name C ) (resid 65 and name N )
(resid 65 and name CA) (resid 65 and name C ) 1.00 -108.00 39.00 2
! 65 E TALOS PSI = 130.00 +/- 25.00
ASSIGN (resid 65 and name N ) (resid 65 and name CA )
(resid 65 and name C) (resid 66 and name N ) 1.00 130.00 37.50 2
! 66 V TALOS PHI = -132.00 +/- 15.00
ASSIGN (resid 65 and name C ) (resid 66 and name N )
(resid 66 and name CA) (resid 66 and name C ) 1.00 -132.00 22.50 2
! 66 V TALOS PSI = 153.00 +/- 10.00
ASSIGN (resid 66 and name N ) (resid 66 and name CA )
(resid 66 and name C) (resid 67 and name N ) 1.00 153.00 15.00 2
! 67 S TALOS PHI = -88.00 +/- 9.00
ASSIGN (resid 66 and name C ) (resid 67 and name N )
(resid 67 and name CA) (resid 67 and name C ) 1.00 -88.00 13.50 2
! 67 S TALOS PSI = 169.00 +/- 6.00
ASSIGN (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C) (resid 68 and name N ) 1.00 169.00 9.00 2
! 68 F TALOS PHI = -60.00 +/- 5.00
ASSIGN (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA) (resid 68 and name C ) 1.00 -60.00 7.50 2
! 68 F TALOS PSI = -37.00 +/- 8.00
ASSIGN (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C) (resid 69 and name N ) 1.00 -37.00 12.00 2
! 69 L TALOS PHI = -62.00 +/- 5.00
ASSIGN (resid 68 and name C ) (resid 69 and name N )
(resid 69 and name CA) (resid 69 and name C ) 1.00 -62.00 7.50 2
! 69 L TALOS PSI = -44.00 +/- 5.00
ASSIGN (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C) (resid 70 and name N ) 1.00 -44.00 7.50 2
! 70 E TALOS PHI = -66.00 +/- 8.00
ASSIGN (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA) (resid 70 and name C ) 1.00 -66.00 12.00 2
! 70 E TALOS PSI = -39.00 +/- 8.00
ASSIGN (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C) (resid 71 and name N ) 1.00 -39.00 12.00 2
! 71 Y TALOS PHI = -64.00 +/- 6.00
ASSIGN (resid 70 and name C ) (resid 71 and name N )
(resid 71 and name CA) (resid 71 and name C ) 1.00 -64.00 9.00 2
! 71 Y TALOS PSI = -46.00 +/- 6.00
ASSIGN (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C) (resid 72 and name N ) 1.00 -46.00 9.00 2
! 72 Y TALOS PHI = -62.00 +/- 8.00
ASSIGN (resid 71 and name C ) (resid 72 and name N )
(resid 72 and name CA) (resid 72 and name C ) 1.00 -62.00 12.00 2
! 72 Y TALOS PSI = -38.00 +/- 5.00
ASSIGN (resid 72 and name N ) (resid 72 and name CA )
(resid 72 and name C) (resid 73 and name N ) 1.00 -38.00 7.50 2
! 73 R TALOS PHI = -63.00 +/- 6.00
ASSIGN (resid 72 and name C ) (resid 73 and name N )
(resid 73 and name CA) (resid 73 and name C ) 1.00 -63.00 9.00 2
! 73 R TALOS PSI = -44.00 +/- 3.00
ASSIGN (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C) (resid 74 and name N ) 1.00 -44.00 4.50 2
! 74 K TALOS PHI = -61.00 +/- 6.00
ASSIGN (resid 73 and name C ) (resid 74 and name N )
(resid 74 and name CA) (resid 74 and name C ) 1.00 -61.00 9.00 2
! 74 K TALOS PSI = -37.00 +/- 11.00
ASSIGN (resid 74 and name N ) (resid 74 and name CA )
(resid 74 and name C) (resid 75 and name N ) 1.00 -37.00 16.50 2
! 75 Q TALOS PHI = -69.00 +/- 12.00
ASSIGN (resid 74 and name C ) (resid 75 and name N )
(resid 75 and name CA) (resid 75 and name C ) 1.00 -69.00 18.00 2
! 75 Q TALOS PSI = -28.00 +/- 15.00
ASSIGN (resid 75 and name N ) (resid 75 and name CA )
(resid 75 and name C) (resid 76 and name N ) 1.00 -28.00 22.50 2
! 76 Y TALOS PHI = -128.00 +/- 41.00
ASSIGN (resid 75 and name C ) (resid 76 and name N )
(resid 76 and name CA) (resid 76 and name C ) 1.00 -128.00 61.50 2
! 76 Y TALOS PSI = 162.00 +/- 8.00
ASSIGN (resid 76 and name N ) (resid 76 and name CA )
(resid 76 and name C) (resid 77 and name N ) 1.00 162.00 12.00 2
! 77 N TALOS PHI = -76.00 +/- 13.00
ASSIGN (resid 76 and name C ) (resid 77 and name N )
(resid 77 and name CA) (resid 77 and name C ) 1.00 -76.00 19.50 2
! 77 N TALOS PSI = -23.00 +/- 25.00
ASSIGN (resid 77 and name N ) (resid 77 and name CA )
(resid 77 and name C) (resid 78 and name N ) 1.00 -23.00 37.50 2
! 78 Q TALOS PHI = -113.00 +/- 31.00
ASSIGN (resid 77 and name C ) (resid 78 and name N )
(resid 78 and name CA) (resid 78 and name C ) 1.00 -113.00 46.50 2
! 78 Q TALOS PSI = 134.00 +/- 29.00
ASSIGN (resid 78 and name N ) (resid 78 and name CA )
(resid 78 and name C) (resid 79 and name N ) 1.00 134.00 43.50 2
! 79 E TALOS PHI = -112.00 +/- 19.00
ASSIGN (resid 78 and name C ) (resid 79 and name N )
(resid 79 and name CA) (resid 79 and name C ) 1.00 -112.00 28.50 2
! 79 E TALOS PSI = 128.00 +/- 10.00
ASSIGN (resid 79 and name N ) (resid 79 and name CA )
(resid 79 and name C) (resid 80 and name N ) 1.00 128.00 15.00 2
! 80 I TALOS PHI = -96.00 +/- 20.00
ASSIGN (resid 79 and name C ) (resid 80 and name N )
(resid 80 and name CA) (resid 80 and name C ) 1.00 -96.00 30.00 2
! 80 I TALOS PSI = 129.00 +/- 14.00
ASSIGN (resid 80 and name N ) (resid 80 and name CA )
(resid 80 and name C) (resid 81 and name N ) 1.00 129.00 21.00 2
! 85 Q TALOS PHI = -84.00 +/- 24.00
ASSIGN (resid 84 and name C ) (resid 85 and name N )
(resid 85 and name CA) (resid 85 and name C ) 1.00 -84.00 36.00 2
! 85 Q TALOS PSI = 136.00 +/- 14.00
ASSIGN (resid 85 and name N ) (resid 85 and name CA )
(resid 85 and name C) (resid 86 and name N ) 1.00 136.00 21.00 2
! 86 P TALOS PHI = -88.00 +/- 22.00
ASSIGN (resid 85 and name C ) (resid 86 and name N )
(resid 86 and name CA) (resid 86 and name C ) 1.00 -88.00 33.00 2
! 86 P TALOS PSI = 160.00 +/- 8.00
ASSIGN (resid 86 and name N ) (resid 86 and name CA )
(resid 86 and name C) (resid 87 and name N ) 1.00 160.00 12.00 2
! 87 V TALOS PHI = -126.00 +/- 12.00
ASSIGN (resid 86 and name C ) (resid 87 and name N )
(resid 87 and name CA) (resid 87 and name C ) 1.00 -126.00 18.00 2
! 87 V TALOS PSI = 159.00 +/- 9.00
ASSIGN (resid 87 and name N ) (resid 87 and name CA )
(resid 87 and name C) (resid 88 and name N ) 1.00 159.00 13.50 2
! 88 L TALOS PHI = -102.00 +/- 20.00
ASSIGN (resid 87 and name C ) (resid 88 and name N )
(resid 88 and name CA) (resid 88 and name C ) 1.00 -102.00 30.00 2
! 88 L TALOS PSI = 128.00 +/- 16.00
ASSIGN (resid 88 and name N ) (resid 88 and name CA )
(resid 88 and name C) (resid 89 and name N ) 1.00 128.00 24.00 2
! 89 V TALOS PHI = -101.00 +/- 29.00
ASSIGN (resid 88 and name C ) (resid 89 and name N )
(resid 89 and name CA) (resid 89 and name C ) 1.00 -101.00 43.50 2
! 89 V TALOS PSI = 136.00 +/- 8.00
ASSIGN (resid 89 and name N ) (resid 89 and name CA )
(resid 89 and name C) (resid 90 and name N ) 1.00 136.00 12.00 2
! 90 S TALOS PHI = -118.00 +/- 15.00
ASSIGN (resid 89 and name C ) (resid 90 and name N )
(resid 90 and name CA) (resid 90 and name C ) 1.00 -118.00 22.50 2
! 90 S TALOS PSI = 122.00 +/- 12.00
ASSIGN (resid 90 and name N ) (resid 90 and name CA )
(resid 90 and name C) (resid 91 and name N ) 1.00 122.00 18.00 2
! 105 P TALOS PHI = -62.00 +/- 9.00
ASSIGN (resid 104 and name C ) (resid 105 and name N )
(resid 105 and name CA) (resid 105 and name C ) 1.00 -62.00 13.50 2
! 105 P TALOS PSI = 146.00 +/- 11.00
ASSIGN (resid 105 and name N ) (resid 105 and name CA )
(resid 105 and name C) (resid 106 and name N ) 1.00 146.00 16.50 2
! 106 A TALOS PHI = -108.00 +/- 25.00
ASSIGN (resid 105 and name C ) (resid 106 and name N )
(resid 106 and name CA) (resid 106 and name C ) 1.00 -108.00 37.50 2
! 106 A TALOS PSI = 136.00 +/- 30.00
ASSIGN (resid 106 and name N ) (resid 106 and name CA )
(resid 106 and name C) (resid 107 and name N ) 1.00 136.00 45.00 2
! 107 M TALOS PHI = -107.00 +/- 10.00
ASSIGN (resid 106 and name C ) (resid 107 and name N )
(resid 107 and name CA) (resid 107 and name C ) 1.00 -107.00 15.00 2
! 107 M TALOS PSI = 126.00 +/- 12.00
ASSIGN (resid 107 and name N ) (resid 107 and name CA )
(resid 107 and name C) (resid 108 and name N ) 1.00 126.00 18.00 2
! 108 L TALOS PHI = -123.00 +/- 11.00
ASSIGN (resid 107 and name C ) (resid 108 and name N )
(resid 108 and name CA) (resid 108 and name C ) 1.00 -123.00 16.50 2
! 108 L TALOS PSI = 143.00 +/- 11.00
ASSIGN (resid 108 and name N ) (resid 108 and name CA )
(resid 108 and name C) (resid 109 and name N ) 1.00 143.00 16.50 2
! 109 I TALOS PHI = -79.00 +/- 13.00
ASSIGN (resid 108 and name C ) (resid 109 and name N )
(resid 109 and name CA) (resid 109 and name C ) 1.00 -79.00 19.50 2
! 109 I TALOS PSI = 147.00 +/- 34.00
ASSIGN (resid 109 and name N ) (resid 109 and name CA )
(resid 109 and name C) (resid 110 and name N ) 1.00 147.00 51.00 2
! 110 P TALOS PHI = -50.00 +/- 4.00
ASSIGN (resid 109 and name C ) (resid 110 and name N )
(resid 110 and name CA) (resid 110 and name C ) 1.00 -50.00 6.00 2
! 110 P TALOS PSI = -41.00 +/- 10.00
ASSIGN (resid 110 and name N ) (resid 110 and name CA )
(resid 110 and name C) (resid 111 and name N ) 1.00 -41.00 15.00 2
! 111 E TALOS PHI = -64.00 +/- 7.00
ASSIGN (resid 110 and name C ) (resid 111 and name N )
(resid 111 and name CA) (resid 111 and name C ) 1.00 -64.00 10.50 2
! 111 E TALOS PSI = -36.00 +/- 14.00
ASSIGN (resid 111 and name N ) (resid 111 and name CA )
(resid 111 and name C) (resid 112 and name N ) 1.00 -36.00 21.00 2
! 112 L TALOS PHI = -115.00 +/- 10.00
ASSIGN (resid 111 and name C ) (resid 112 and name N )
(resid 112 and name CA) (resid 112 and name C ) 1.00 -115.00 15.00 2
! 112 L TALOS PSI = 3.00 +/- 15.00
ASSIGN (resid 112 and name N ) (resid 112 and name CA )
(resid 112 and name C) (resid 113 and name N ) 1.00 3.00 22.50 2
! 113 C TALOS PHI = -115.00 +/- 30.00
ASSIGN (resid 112 and name C ) (resid 113 and name N )
(resid 113 and name CA) (resid 113 and name C ) 1.00 -115.00 45.00 2
! 113 C TALOS PSI = 150.00 +/- 13.00
ASSIGN (resid 113 and name N ) (resid 113 and name CA )
(resid 113 and name C) (resid 114 and name N ) 1.00 150.00 19.50 2
! 114 Y TALOS PHI = -118.00 +/- 25.00
ASSIGN (resid 113 and name C ) (resid 114 and name N )
(resid 114 and name CA) (resid 114 and name C ) 1.00 -118.00 37.50 2
! 114 Y TALOS PSI = 157.00 +/- 16.00
ASSIGN (resid 114 and name N ) (resid 114 and name CA )
(resid 114 and name C) (resid 115 and name N ) 1.00 157.00 24.00 2
! 115 L TALOS PHI = -109.00 +/- 36.00
ASSIGN (resid 114 and name C ) (resid 115 and name N )
(resid 115 and name CA) (resid 115 and name C ) 1.00 -109.00 54.00 2
! 115 L TALOS PSI = 143.00 +/- 61.00
ASSIGN (resid 115 and name N ) (resid 115 and name CA )
(resid 115 and name C) (resid 116 and name N ) 1.00 143.00 91.50 2
! 116 T TALOS PHI = -100.00 +/- 20.00
ASSIGN (resid 115 and name C ) (resid 116 and name N )
(resid 116 and name CA) (resid 116 and name C ) 1.00 -100.00 30.00 2
! 116 T TALOS PSI = -12.00 +/- 10.00
ASSIGN (resid 116 and name N ) (resid 116 and name CA )
(resid 116 and name C) (resid 117 and name N ) 1.00 -12.00 15.00 2
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