#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 4.43 0.10 2.61 0.04 -1.26 -4.94 135.00 135.99 1pnb s PRO 2 Ca 0.00 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1pnb s PRO 2 Cb 0.00 -3.40 -0.17 0.00 0.04 0.00 0.00 34.50 30.98 1pnb s PRO 2 CO 0.00 -0.26 1.28 0.37 0.04 0.00 0.00 177.00 178.42 1pnb h GLN 3 N 6.92 0.75 -1.03 4.56 4.15 -2.05 -3.16 115.11 125.24 1pnb h GLN 3 Ca -0.40 -0.67 0.37 0.00 0.77 0.00 0.00 58.65 58.72 1pnb h GLN 3 Cb 1.21 0.16 -0.16 0.00 0.21 0.00 0.00 27.48 28.90 1pnb h GLN 3 CO 0.82 1.27 0.59 1.57 -1.93 0.00 0.00 178.83 181.14 1pnb h LYS 4 N 0.48 0.18 0.00 1.69 2.10 -1.98 0.19 116.57 119.23 1pnb h LYS 4 Ca -0.08 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1pnb h LYS 4 Cb 1.50 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.79 1pnb h LYS 4 CO 0.17 0.12 0.00 0.00 -2.00 0.00 0.00 179.45 177.74 1pnb n GLN 6 N -1.38 -0.05 0.00 0.00 1.13 -0.37 0.05 117.38 116.76 1pnb n GLN 6 Ca 0.00 1.22 -0.00 0.00 -1.94 0.00 0.00 57.00 56.28 1pnb n GLN 6 Cb 0.00 -2.21 -0.00 0.00 0.11 0.00 0.00 30.24 28.14 1pnb n GLN 6 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1pnb h ARG 7 N 0.00 -0.01 -0.91 -1.09 9.65 -0.43 -3.25 114.38 118.35 1pnb h ARG 7 Ca 0.76 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.85 1pnb h ARG 7 Cb 2.04 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 30.45 1pnb h ARG 7 CO -0.67 -0.01 -0.14 0.39 2.80 0.00 0.00 179.97 182.34 1pnb n GLU 8 N -2.07 -0.08 -0.14 0.20 -0.58 0.48 0.22 120.64 118.67 1pnb n GLU 8 Ca -0.00 1.40 -0.04 0.00 -0.42 0.00 0.00 57.16 58.10 1pnb n GLU 8 Cb 0.01 -2.13 -0.03 0.00 -0.57 0.00 0.00 31.44 28.71 1pnb n GLU 8 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1pnb h PHE 9 N 0.00 -0.64 0.00 -0.32 3.57 -0.48 0.42 116.94 119.49 1pnb h PHE 9 Ca 0.47 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 62.01 1pnb h PHE 9 Cb 0.82 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1pnb h PHE 9 CO -0.62 -0.13 -0.02 0.37 -2.23 0.00 0.00 178.31 175.68 1pnb h GLN 10 N -0.01 0.01 -1.21 1.11 4.15 -0.95 -3.13 115.11 115.08 1pnb h GLN 10 Ca 0.05 -0.01 0.43 0.00 0.77 0.00 0.00 58.65 59.89 1pnb h GLN 10 Cb 0.14 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 27.70 1pnb h GLN 10 CO -0.31 0.95 0.75 0.94 -1.93 0.00 0.00 178.83 179.23 1pnb n GLN 11 N -4.62 -0.04 0.00 1.69 0.00 0.59 -2.85 117.38 112.15 1pnb n GLN 11 Ca -0.10 1.20 0.00 0.00 -0.00 0.00 0.00 57.00 58.10 1pnb n GLN 11 Cb 0.46 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 28.39 1pnb n GLN 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1pnb n GLU 12 N -4.71 0.00 0.00 3.69 -0.58 0.15 -4.99 120.64 114.20 1pnb n GLU 12 Ca 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1pnb n GLU 12 Cb 1.41 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 32.21 1pnb n GLU 12 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pnb n GLN 13 N 0.00 0.00 0.00 3.49 6.02 -1.13 -5.10 117.38 120.66 1pnb n GLN 13 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pnb n GLN 13 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1pnb n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1pnb n HIS 14 N 0.00 0.00 -0.99 1.08 8.25 -1.19 -4.61 115.22 117.76 1pnb n HIS 14 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1pnb n HIS 14 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 1pnb n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1pnb n LEU 15 N 0.00 -4.04 0.00 2.41 7.99 -1.26 -4.98 117.00 117.12 1pnb n LEU 15 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1pnb n LEU 15 Cb 0.00 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 1pnb n LEU 15 CO 0.00 -3.72 0.00 0.54 -1.51 0.00 0.00 177.39 172.70 1pnb n ARG 16 N 2.46 0.00 -0.15 3.23 1.74 -1.26 -4.50 116.66 118.18 1pnb n ARG 16 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 1pnb n ARG 16 Cb 0.68 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 32.34 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 -2.19 0.38 0.21 7.54 0.00 -1.26 1.12 120.51 126.31 1pnb n ALA 17 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 53.44 54.00 1pnb n ALA 17 Cb 0.00 -0.43 0.46 0.00 0.00 0.00 0.00 19.45 19.48 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 -3.60 -0.01 0.00 0.00 10.64 8.45 0.00 117.38 132.86 1pnb n GLN 19 Ca -0.01 0.68 0.00 0.00 -1.83 0.00 0.00 57.00 55.84 1pnb n GLN 19 Cb 0.41 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 1pnb n GLN 19 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1pnb n GLN 20 N -3.49 0.00 0.00 2.61 3.00 -1.19 -0.28 117.38 118.03 1pnb n GLN 20 Ca 0.25 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 1pnb n GLN 20 Cb 1.03 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.95 1pnb n GLN 20 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 1pnb n TRP 21 N -1.66 0.00 -0.15 1.08 -0.00 0.10 0.37 117.44 117.18 1pnb n TRP 21 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.60 1pnb n TRP 21 Cb 0.00 -0.45 0.20 0.00 -0.00 0.00 0.00 31.31 31.06 1pnb n TRP 21 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13 1pnb n ILE 22 N -2.08 -0.19 -0.04 5.87 -6.64 -0.87 0.30 119.36 115.71 1pnb n ILE 22 Ca 0.00 0.96 -0.17 0.00 -1.77 0.00 0.00 62.75 61.77 1pnb n ILE 22 Cb 0.00 -1.48 -0.13 0.00 -1.44 0.00 0.00 39.64 36.59 1pnb n ILE 22 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 1pnb h ARG 23 N 0.00 0.08 -1.13 6.28 2.43 0.29 -3.31 114.38 119.03 1pnb h ARG 23 Ca 0.33 -0.14 0.33 0.00 -0.81 0.00 0.00 59.98 59.69 1pnb h ARG 23 Cb 0.78 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.27 1pnb h ARG 23 CO -0.39 1.07 0.72 0.37 -1.51 0.00 0.00 179.97 180.22 1pnb h GLN 24 N -0.81 0.27 -0.91 0.20 5.75 2.52 0.14 115.11 122.27 1pnb h GLN 24 Ca -0.09 -0.02 0.35 0.00 -0.15 0.00 0.00 58.65 58.74 1pnb h GLN 24 Cb 1.23 -0.06 -0.13 0.00 1.07 0.00 0.00 27.48 29.59 1pnb h GLN 24 CO 0.01 0.18 0.53 0.94 -2.65 0.00 0.00 178.83 177.84 1pnb n GLN 25 N -4.71 -0.04 -0.24 1.69 -0.06 0.14 0.18 117.38 114.34 1pnb n GLN 25 Ca 0.30 1.08 -0.01 0.00 -2.00 0.00 0.00 57.00 56.37 1pnb n GLN 25 Cb 1.08 -2.00 0.05 0.00 -4.06 0.00 0.00 30.24 25.32 1pnb n GLN 25 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1pnb h LEU 26 N 0.00 -0.86 -9.93 1.69 3.38 -0.95 -3.40 115.31 105.24 1pnb h LEU 26 Ca 0.69 0.22 -0.38 0.00 0.09 0.00 0.00 57.88 58.50 1pnb h LEU 26 Cb 1.98 0.50 0.21 0.00 0.09 0.00 0.00 40.66 43.44 1pnb h LEU 26 CO -0.54 -0.26 -0.17 0.00 0.09 0.00 0.00 178.44 177.56 1pnb n ALA 27 N -3.19 -4.22 -1.00 1.53 0.00 0.49 -4.97 120.51 109.15 1pnb n ALA 27 Ca 0.08 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1pnb n ALA 27 Cb 0.37 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.66 -1.95 3.26 0.00 0.00 -1.26 -5.06 105.19 101.83 1pnb n GLY 28 Ca 0.09 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.41 1pnb n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pnb n SER 29 N -0.48 0.14 -4.76 1.61 3.41 -1.26 -4.82 113.62 107.46 1pnb n SER 29 Ca 0.00 0.11 -0.40 0.00 -0.26 0.00 0.00 58.87 58.32 1pnb n SER 29 Cb 0.00 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 63.08 1pnb n SER 29 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1pnb s PRO 30 N 8.22 4.62 0.00 4.33 0.04 -1.26 -5.29 135.00 145.66 1pnb s PRO 30 Ca 1.26 1.75 0.23 0.00 0.04 0.00 0.00 61.00 64.28 1pnb s PRO 30 Cb -1.14 -3.14 1.36 0.00 0.04 0.00 0.00 34.50 31.61 1pnb s PRO 30 CO 0.46 0.21 1.73 1.19 0.04 0.00 0.00 177.00 180.63