Table 4.
Nitrogen Residue | N–S, Å | S atom | β, deg | ξ, deg | θ, deg | ϕ, deg |
---|---|---|---|---|---|---|
Ser40 | 3.11 | S1 | 135 | 123 | 0 | 2 |
Cys41 | 3.35 | S1 | 79 | 95 | 52 | 41 |
3.13 | Cys41 | 79 | 95 | |||
Arg42 | 3.33 | S1 | 85 | 168 | −16 | 13 |
2.82 | Cys41 | 85 | 168 | −68 | 72 | |
Ala43 | 3.02 | Cys41 | 55 | 65 | −10 | 17 |
Gly44 | 3.30 | S2 | 93 | 81 | −14 | 36 |
3.78 | Cys41 | 93 | 81 | −49 | 45 | |
Ala45 | 3.87 | Cys41 | 11 | 100 | 31 | 36 |
Cys46 | 3.64 | S2 | 83 | 14 | −36 | 37 |
3.53 | Cys46 | 83 | 14 | |||
Ser47 | 2.79 | Cys46 | 100 | 141 | 51 | 61 |
Thr48 | 3.67 | Cys46 | 132 | 112 | 40 | 43 |
Cys49 | 3.37 | Cys49 | 72 | 19 | ||
Cys79 | 3.65 | Cys49 | 118 | 37 | 21 | 19 |
3.47 | Cys79 | 118 | 37 | |||
Val80 | 3.38 | Cys79 | 59 | 83 | −50 | 73 |
β is an angle between the g1 axis of the g-tensor and maximum principal value axes of the nitrogen nqi tensor. ξ is an angle between the g3 axis of the g-tensor and maximum principal value axes of the nitrogen nqi tensor. θ=θ’-90º, θ’ is the angle between the N-S vector and the normal vector to the peptide plane of the particular residue, ϕ is the angle between N–S and N–H vectors.