#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnb s PRO 2 N 0.00 4.44 0.06 -1.09 0.04 -1.26 -4.94 135.00 132.25 1pnb s PRO 2 Ca 0.00 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1pnb s PRO 2 Cb 0.00 -3.39 -0.27 0.00 0.04 0.00 0.00 34.50 30.88 1pnb s PRO 2 CO 0.00 -0.25 1.13 0.37 0.04 0.00 0.00 177.00 178.29 1pnb h GLN 3 N 6.89 0.65 -0.89 4.56 4.15 -2.04 -3.26 115.11 125.16 1pnb h GLN 3 Ca -0.41 -0.80 0.23 0.00 0.77 0.00 0.00 58.65 58.44 1pnb h GLN 3 Cb 1.21 0.25 -0.16 0.00 0.21 0.00 0.00 27.48 29.00 1pnb h GLN 3 CO 0.81 1.36 0.08 1.57 -1.93 0.00 0.00 178.83 180.72 1pnb h LYS 4 N 0.31 0.09 0.00 1.69 -0.00 -1.96 1.25 116.57 117.95 1pnb h LYS 4 Ca -0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.48 1pnb h LYS 4 Cb 1.85 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 34.06 1pnb h LYS 4 CO 0.23 0.06 0.00 0.00 -0.00 0.00 0.00 179.45 179.74 1pnb h GLN 6 N 0.00 0.04 -0.52 0.00 4.20 -1.33 1.27 115.11 118.76 1pnb h GLN 6 Ca 0.00 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1pnb h GLN 6 Cb 0.00 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1pnb h GLN 6 CO 0.00 0.02 -0.09 0.00 -0.67 0.00 0.00 178.83 178.09 1pnb h ARG 7 N 0.04 0.95 0.00 1.46 2.47 0.17 -2.51 114.38 116.96 1pnb h ARG 7 Ca 0.55 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1pnb h ARG 7 Cb 1.08 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1pnb h ARG 7 CO -0.87 0.99 0.00 0.39 0.56 0.00 0.00 179.97 181.04 1pnb n GLU 8 N -4.16 0.00 -0.38 0.04 -0.58 0.83 -0.17 120.64 116.22 1pnb n GLU 8 Ca 0.02 0.43 0.32 0.00 -0.42 0.00 0.00 57.16 57.51 1pnb n GLU 8 Cb 0.38 -1.39 0.59 0.00 -0.57 0.00 0.00 31.44 30.45 1pnb n GLU 8 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1pnb h PHE 9 N 0.00 0.72 -0.51 -0.32 -5.15 -1.05 1.80 116.94 112.43 1pnb h PHE 9 Ca 0.00 0.03 -0.10 0.00 -0.20 0.00 0.00 57.97 57.70 1pnb h PHE 9 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 35.95 35.98 1pnb h PHE 9 CO 0.11 -0.30 -0.08 0.37 -2.00 0.00 0.00 178.31 176.40 1pnb h GLN 10 N 0.11 0.95 -0.03 6.09 4.15 -1.18 -2.21 115.11 122.98 1pnb h GLN 10 Ca 0.81 -0.35 -0.23 0.00 0.77 0.00 0.00 58.65 59.66 1pnb h GLN 10 Cb 2.27 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.91 1pnb h GLN 10 CO -0.59 1.01 -0.90 -0.56 -1.93 0.00 0.00 178.83 175.86 1pnb h GLN 11 N 0.81 0.53 0.00 1.69 -0.00 0.56 -3.39 115.11 115.30 1pnb h GLN 11 Ca 0.13 -0.52 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1pnb h GLN 11 Cb 0.63 0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.25 1pnb h GLN 11 CO 0.04 1.15 0.00 0.39 -0.00 0.00 0.00 178.83 180.41 1pnb n GLU 12 N -3.81 0.00 0.00 0.06 -0.58 0.35 -4.95 120.64 111.71 1pnb n GLU 12 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1pnb n GLU 12 Cb 0.81 -0.59 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 1pnb n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pnb n GLN 13 N -0.09 0.00 0.00 3.49 10.64 -0.96 -5.07 117.38 125.38 1pnb n GLN 13 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1pnb n GLN 13 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1pnb n GLN 13 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1pnb n HIS 14 N 0.00 0.00 -0.71 2.61 8.25 -0.87 -4.46 115.22 120.04 1pnb n HIS 14 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1pnb n HIS 14 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1pnb n HIS 14 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1pnb n LEU 15 N 0.00 -2.64 -0.04 2.41 -0.00 -1.26 -4.71 117.00 110.76 1pnb n LEU 15 Ca 0.00 0.31 -0.03 0.00 -0.00 0.00 0.00 56.01 56.29 1pnb n LEU 15 Cb 0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 42.91 1pnb n LEU 15 CO 0.00 -3.12 -0.22 0.54 -0.00 0.00 0.00 177.39 174.59 1pnb n ARG 16 N 1.09 0.26 -0.31 1.47 1.74 -1.26 -1.65 116.66 117.99 1pnb n ARG 16 Ca 0.03 0.35 0.14 0.00 -0.77 0.00 0.00 57.85 57.60 1pnb n ARG 16 Cb 0.30 -1.23 0.27 0.00 -1.02 0.00 0.00 32.46 30.79 1pnb n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pnb n ALA 17 N -3.12 0.47 0.02 7.54 0.00 -1.26 0.14 120.51 124.30 1pnb n ALA 17 Ca -0.05 0.96 -0.18 0.00 0.00 0.00 0.00 53.44 54.17 1pnb n ALA 17 Cb 0.17 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 1pnb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pnb n GLN 19 N -4.24 -0.02 -0.17 0.00 1.13 0.36 0.04 117.38 114.48 1pnb n GLN 19 Ca -0.12 0.82 -0.06 0.00 -1.94 0.00 0.00 57.00 55.70 1pnb n GLN 19 Cb 0.72 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.35 1pnb n GLN 19 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1pnb h GLN 20 N 0.00 -0.06 0.00 -1.09 7.50 -1.31 0.40 115.11 120.55 1pnb h GLN 20 Ca 0.60 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.76 1pnb h GLN 20 Cb 2.05 0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.59 1pnb h GLN 20 CO -0.25 -0.04 0.00 1.87 -1.50 0.00 0.00 178.83 178.91 1pnb n TRP 21 N -4.11 0.00 -0.03 2.96 -0.00 0.11 0.68 117.44 117.05 1pnb n TRP 21 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.52 1pnb n TRP 21 Cb 0.15 -0.47 0.04 0.00 -0.00 0.00 0.00 31.31 31.02 1pnb n TRP 21 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 177.69 179.20 1pnb n ILE 22 N -1.91 -0.04 -0.07 5.87 0.00 -1.03 0.31 119.36 122.49 1pnb n ILE 22 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 62.75 62.87 1pnb n ILE 22 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 39.64 39.31 1pnb n ILE 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1pnb h ARG 23 N 0.00 0.00 -0.98 9.51 2.43 -0.25 -3.37 114.38 121.72 1pnb h ARG 23 Ca 0.06 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.43 1pnb h ARG 23 Cb 0.15 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 1pnb h ARG 23 CO -0.08 0.24 0.61 0.37 -1.51 0.00 0.00 179.97 179.61 1pnb h GLN 24 N -1.00 0.64 -0.86 0.20 4.15 0.84 -0.82 115.11 118.25 1pnb h GLN 24 Ca -0.06 -0.04 0.27 0.00 0.77 0.00 0.00 58.65 59.59 1pnb h GLN 24 Cb 0.58 -0.14 -0.16 0.00 0.21 0.00 0.00 27.48 27.96 1pnb h GLN 24 CO -0.04 0.42 0.14 0.94 -1.93 0.00 0.00 178.83 178.36 1pnb n GLN 25 N -4.67 -0.06 -0.01 1.69 0.00 0.93 0.16 117.38 115.41 1pnb n GLN 25 Ca 0.22 1.26 -0.13 0.00 -0.00 0.00 0.00 57.00 58.35 1pnb n GLN 25 Cb 0.61 -2.07 -0.10 0.00 0.00 0.00 0.00 30.24 28.68 1pnb n GLN 25 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1pnb h LEU 26 N 0.00 -0.00 -9.34 1.69 3.38 -1.35 -3.45 115.31 106.24 1pnb h LEU 26 Ca 0.58 -0.48 -0.60 0.00 0.09 0.00 0.00 57.88 57.47 1pnb h LEU 26 Cb 1.31 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.22 1pnb h LEU 26 CO -0.77 0.48 -0.52 0.00 0.09 0.00 0.00 178.44 177.72 1pnb n ALA 27 N -2.34 -1.62 0.00 1.53 0.00 0.43 -4.85 120.51 113.66 1pnb n ALA 27 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1pnb n ALA 27 Cb 0.25 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1pnb n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnb n GLY 28 N 1.90 0.00 3.32 0.00 0.00 -1.26 -4.96 105.19 104.19 1pnb n GLY 28 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1pnb n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pnb s SER 29 N 0.00 2.56 0.15 1.61 0.01 -1.26 -5.12 113.70 111.65 1pnb s SER 29 Ca 0.00 -0.89 -0.30 0.00 1.31 0.00 0.00 55.95 56.07 1pnb s SER 29 Cb 0.00 -0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.02 1pnb s SER 29 CO 0.00 -0.08 1.13 -2.16 0.41 0.00 0.00 173.24 172.54 1pnb s PRO 30 N -2.96 4.55 0.00 12.44 0.04 -1.26 -5.31 135.00 142.50 1pnb s PRO 30 Ca 0.16 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1pnb s PRO 30 Cb -0.05 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1pnb s PRO 30 CO 0.06 -0.02 0.00 1.19 0.04 0.00 0.00 177.00 178.27