#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shh n ALA 1 N 0.00 0.00 -0.34 0.62 0.00 -1.26 -1.24 120.51 118.29 1shh n ALA 1 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1shh n ALA 1 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 1shh n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1shh n ASP 1 N 3.52 3.34 -4.66 0.00 2.03 -1.26 -5.04 116.55 114.49 1shh n ASP 1 Ca 0.00 -2.16 -0.40 0.00 0.52 0.00 0.00 54.79 52.75 1shh n ASP 1 Cb 0.00 -0.33 0.03 0.00 -0.72 0.00 0.00 41.12 40.09 1shh n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1shh n GLY 2 N 1.05 0.23 3.25 0.00 0.00 -1.26 -4.97 105.19 103.50 1shh n GLY 2 Ca 0.10 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1shh n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shh s LEU 3 N -0.23 3.81 0.01 0.99 1.43 -1.16 -5.03 118.68 118.49 1shh s LEU 3 Ca 0.00 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 1shh s LEU 3 Cb 0.00 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1shh s LEU 3 CO 0.00 -0.23 1.03 -0.13 0.23 0.00 0.00 176.35 177.25 1shh s ARG 4 N 1.37 4.52 0.36 1.70 0.52 -1.26 -4.81 118.95 121.35 1shh s ARG 4 Ca -0.01 1.49 0.10 0.00 -0.52 0.00 0.00 55.73 56.79 1shh s ARG 4 Cb -0.18 -3.44 0.87 0.00 0.52 0.00 0.00 34.95 32.71 1shh s ARG 4 CO -0.00 -0.11 1.84 -1.35 0.02 0.00 0.00 175.30 175.70 1shh h PRO 5 N 6.83 0.62 -0.19 3.54 0.11 -1.97 -1.72 132.00 139.22 1shh h PRO 5 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1shh h PRO 5 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1shh h PRO 5 CO 0.77 0.41 0.00 1.28 -0.21 0.00 0.00 178.00 180.25 1shh n LEU 6 N -4.60 2.52 0.00 2.35 4.77 -1.26 -4.12 117.00 116.66 1shh n LEU 6 Ca 0.19 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1shh n LEU 6 Cb 0.56 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1shh n LEU 6 CO 0.28 0.50 0.00 0.49 -1.33 0.00 0.00 177.39 177.32 1shh n PHE 7 N 0.91 0.00 -0.25 -1.77 3.72 -0.72 -4.78 117.46 114.57 1shh n PHE 7 Ca 0.17 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.59 1shh n PHE 7 Cb 0.48 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.17 1shh n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1shh h GLU 8 N 0.00 0.59 0.00 -1.08 3.07 -1.57 -0.60 114.58 114.99 1shh h GLU 8 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1shh h GLU 8 Cb 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1shh h GLU 8 CO 0.00 0.39 0.00 0.87 -1.40 0.00 0.00 179.01 178.87 1shh h LYS 9 N 0.61 0.00 -0.28 2.33 1.79 -1.57 -1.71 116.57 117.73 1shh h LYS 9 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1shh h LYS 9 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1shh h LYS 9 CO -0.28 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.72 1shh n LYS 10 N -2.91 2.88 -3.35 3.15 5.02 -0.49 -4.98 118.16 117.47 1shh n LYS 10 Ca -0.01 -2.04 -0.24 0.00 -2.02 0.00 0.00 58.31 53.99 1shh n LYS 10 Cb 0.16 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.91 1shh n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1shh n SER 11 N 0.25 -5.20 -4.43 4.39 7.64 -0.64 -4.98 113.62 110.63 1shh n SER 11 Ca 0.11 -0.44 -0.33 0.00 1.01 0.00 0.00 58.87 59.22 1shh n SER 11 Cb 0.44 -4.20 -0.14 0.00 -1.01 0.00 0.00 64.21 59.30 1shh n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1shh s LEU 12 N -6.81 2.74 0.03 -3.43 1.02 -0.35 -5.02 118.68 106.85 1shh s LEU 12 Ca 0.43 -0.25 -0.07 0.00 0.02 0.00 0.00 54.13 54.26 1shh s LEU 12 Cb -0.21 -1.58 -0.05 0.00 0.02 0.00 0.00 46.19 44.37 1shh s LEU 12 CO 0.53 0.27 0.30 -1.61 0.02 0.00 0.00 176.35 175.86 1shh s GLU 13 N -0.26 3.63 0.78 1.70 2.02 -1.26 -3.90 118.70 121.41 1shh s GLU 13 Ca 0.02 -0.02 -0.10 0.00 0.02 0.00 0.00 54.97 54.89 1shh s GLU 13 Cb -0.13 -3.05 0.08 0.00 0.10 0.00 0.00 34.13 31.13 1shh s GLU 13 CO 0.03 0.62 1.13 0.16 0.02 0.00 0.00 175.26 177.22 1shh s ASP 14 N -1.75 4.55 0.60 -0.19 1.47 -1.26 -4.97 116.67 115.13 1shh s ASP 14 Ca 0.29 0.64 0.37 0.00 1.18 0.00 0.00 52.55 55.03 1shh s ASP 14 Cb -0.13 -1.17 1.91 0.00 -0.34 0.00 0.00 42.92 43.19 1shh s ASP 14 CO 0.17 -1.84 2.21 0.11 0.68 0.00 0.00 175.17 176.50 1shh h LYS 14 N -0.93 0.00 0.00 2.11 1.57 -2.05 -3.30 116.57 113.98 1shh h LYS 14 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1shh h LYS 14 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1shh h LYS 14 CO 0.63 0.03 0.00 0.25 -0.57 0.00 0.00 179.45 179.79 1shh n THR 14 N -3.29 0.06 0.30 -0.16 -2.24 -1.26 -4.78 114.28 102.91 1shh n THR 14 Ca -0.02 -0.35 0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1shh n THR 14 Cb 0.16 1.30 0.93 0.00 -2.10 0.00 0.00 70.33 70.63 1shh n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1shh h GLU 14 N 0.00 0.00 0.00 -0.78 4.11 -1.97 -0.21 114.58 115.73 1shh h GLU 14 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1shh h GLU 14 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1shh h GLU 14 CO 0.00 0.00 -0.23 -0.09 0.07 0.00 0.00 179.01 178.76 1shh h ARG 14 N 0.00 0.00 -1.06 1.06 2.43 -1.86 -2.10 114.38 112.84 1shh h ARG 14 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1shh h ARG 14 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1shh h ARG 14 CO 0.00 0.23 0.00 -1.91 -1.51 0.00 0.00 179.97 176.78 1shh n GLU 14 N -3.77 0.19 0.00 0.20 2.13 -0.09 -0.80 120.64 118.49 1shh n GLU 14 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1shh n GLU 14 Cb 0.33 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1shh n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1shh n LEU 14 N 0.68 0.00 0.22 4.31 4.77 -0.79 -1.79 117.00 124.39 1shh n LEU 14 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1shh n LEU 14 Cb 0.07 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.66 1shh n LEU 14 CO 0.00 0.00 0.81 -0.33 -1.33 0.00 0.00 177.39 176.54 1shh h GLU 14 N 0.00 0.00 0.00 3.23 5.08 -1.25 -2.30 114.58 119.34 1shh h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1shh h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1shh h GLU 14 CO 0.00 0.25 0.00 0.66 -1.00 0.00 0.00 179.01 178.92 1shh h SER 14 N 0.00 0.00 0.70 1.42 4.64 -1.60 -1.47 113.55 117.24 1shh h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1shh h SER 14 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1shh h SER 14 CO 0.03 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.87 1shh h TYR 14 N 0.00 0.00 0.00 4.77 0.05 -1.72 -3.28 116.97 116.79 1shh h TYR 14 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1shh h TYR 14 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1shh h TYR 14 CO 0.00 0.00 0.00 -0.89 -1.05 0.00 0.00 178.16 176.22 1shh n ILE 14 N -2.53 0.00 0.00 -2.88 5.41 -0.57 -5.18 119.36 113.60 1shh n ILE 14 Ca 0.01 0.48 0.00 0.00 1.00 0.00 0.00 62.75 64.24 1shh n ILE 14 Cb 0.22 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 1shh n ILE 14 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02