#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 4.42 -0.01 -1.09 0.04 -1.26 -4.94 135.00 132.16 1pnb s PRO 2 Ca 0.00 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 1pnb s PRO 2 Cb 0.00 -3.41 -0.33 0.00 0.04 0.00 0.00 34.50 30.79 1pnb s PRO 2 CO 0.00 -0.28 0.92 0.37 0.04 0.00 0.00 177.00 178.05 1pnb h GLN 3 N 6.97 0.42 -1.10 4.56 4.15 -2.03 -3.28 115.11 124.80 1pnb h GLN 3 Ca -0.40 -0.72 0.33 0.00 0.77 0.00 0.00 58.65 58.63 1pnb h GLN 3 Cb 1.20 0.27 -0.13 0.00 0.21 0.00 0.00 27.48 29.04 1pnb h GLN 3 CO 0.82 1.35 0.68 0.87 -1.93 0.00 0.00 178.83 180.62 1pnb h LYS 4 N -0.09 0.28 -0.00 1.69 1.79 -1.94 1.97 116.57 120.26 1pnb h LYS 4 Ca -0.22 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1pnb h LYS 4 Cb 1.93 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.51 1pnb h LYS 4 CO 0.21 0.18 -0.04 0.00 -1.08 0.00 0.00 179.45 178.72 1pnb h GLN 6 N -0.05 -0.20 -1.00 0.00 3.07 -1.22 -2.99 115.11 112.72 1pnb h GLN 6 Ca 0.00 0.01 0.36 0.00 0.09 0.00 0.00 58.65 59.12 1pnb h GLN 6 Cb 0.06 0.05 -0.18 0.00 0.08 0.00 0.00 27.48 27.48 1pnb h GLN 6 CO -0.03 0.22 0.34 0.00 0.09 0.00 0.00 178.83 179.45 1pnb h ARG 7 N -0.72 0.01 0.00 0.06 2.47 0.30 0.61 114.38 117.11 1pnb h ARG 7 Ca -0.02 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1pnb h ARG 7 Cb 0.51 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1pnb h ARG 7 CO 0.04 0.01 0.00 -1.91 0.56 0.00 0.00 179.97 178.66 1pnb n GLU 8 N -5.35 0.00 -0.58 0.04 0.00 0.19 0.23 120.64 115.17 1pnb n GLU 8 Ca 0.32 0.00 0.45 0.00 0.00 0.00 0.00 57.16 57.93 1pnb n GLU 8 Cb 1.08 -0.83 0.71 0.00 0.00 0.00 0.00 31.44 32.40 1pnb n GLU 8 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1pnb n PHE 9 N -0.45 0.22 0.11 4.31 -1.74 -0.94 0.46 117.46 119.42 1pnb n PHE 9 Ca 0.00 0.22 -0.24 0.00 -0.56 0.00 0.00 57.45 56.87 1pnb n PHE 9 Cb 0.00 -0.67 -0.15 0.00 1.52 0.00 0.00 39.48 40.18 1pnb n PHE 9 CO 0.00 0.00 0.00 0.37 -0.56 0.00 0.00 176.76 176.57 1pnb h GLN 10 N 0.00 0.47 0.17 3.97 4.15 0.25 -2.52 115.11 121.59 1pnb h GLN 10 Ca 0.85 -0.81 -0.31 0.00 0.77 0.00 0.00 58.65 59.14 1pnb h GLN 10 Cb 3.18 0.30 0.01 0.00 0.21 0.00 0.00 27.48 31.18 1pnb h GLN 10 CO -0.15 1.39 -1.49 1.96 -1.93 0.00 0.00 178.83 178.60 1pnb h GLN 11 N 0.09 0.35 0.00 1.69 1.08 1.78 -3.40 115.11 116.70 1pnb h GLN 11 Ca -0.29 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.31 1pnb h GLN 11 Cb 2.11 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 29.76 1pnb h GLN 11 CO 0.23 1.25 0.00 0.39 -0.95 0.00 0.00 178.83 179.75 1pnb n GLU 12 N -3.56 0.00 0.00 1.46 -0.58 1.62 -4.83 120.64 114.75 1pnb n GLU 12 Ca -0.16 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1pnb n GLU 12 Cb 1.06 -0.84 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 1.04 -0.48 0.00 0.00 177.13 177.69 1pnb n GLN 13 N -0.58 0.00 -0.02 3.49 6.02 -1.25 -5.06 117.38 119.98 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 -1.08 1.08 8.25 -0.95 -4.57 115.22 117.95 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 1.47 0.64 0.00 0.00 176.34 178.45 1pnb n LEU 15 N 0.04 -4.98 -0.04 2.41 -0.00 -1.26 -4.93 117.00 108.23 1pnb n LEU 15 Ca 0.00 0.34 -0.06 0.00 -0.00 0.00 0.00 56.01 56.29 1pnb n LEU 15 Cb 0.00 -0.81 -0.04 0.00 -0.00 0.00 0.00 43.42 42.57 1pnb n LEU 15 CO 0.00 -5.52 -0.79 -1.14 -0.00 0.00 0.00 177.39 169.94 1pnb n ARG 16 N 2.00 0.22 -0.41 1.47 0.63 -1.26 -4.32 116.66 114.98 1pnb n ARG 16 Ca 0.02 0.05 0.35 0.00 -0.92 0.00 0.00 57.85 57.35 1pnb n ARG 16 Cb 0.53 -1.17 0.59 0.00 0.45 0.00 0.00 32.46 32.86 1pnb n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pnb n ALA 17 N -2.77 1.19 0.07 5.13 0.00 -1.26 0.60 120.51 123.46 1pnb n ALA 17 Ca -0.16 0.74 -0.12 0.00 0.00 0.00 0.00 53.44 53.90 1pnb n ALA 17 Cb 0.66 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.41 0.00 0.00 0.00 0.00 2.53 -1.69 117.38 114.81 1pnb n GLN 19 Ca -0.08 0.71 0.00 0.00 -0.00 0.00 0.00 57.00 57.63 1pnb n GLN 19 Cb 1.00 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.56 1pnb n GLN 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1pnb n GLN 20 N -3.08 0.00 0.16 3.69 7.27 -1.19 -1.19 117.38 123.03 1pnb n GLN 20 Ca 0.26 0.27 -0.07 0.00 0.07 0.00 0.00 57.00 57.53 1pnb n GLN 20 Cb 1.26 -0.82 -0.03 0.00 2.41 0.00 0.00 30.24 33.06 1pnb n GLN 20 CO 0.00 0.00 0.00 2.35 0.07 0.00 0.00 177.06 179.48 1pnb h TRP 21 N 0.00 -0.44 -0.10 3.69 7.01 -1.64 0.75 115.95 125.22 1pnb h TRP 21 Ca 0.00 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1pnb h TRP 21 Cb 0.00 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 1pnb h TRP 21 CO 0.00 -0.27 -0.03 1.51 -2.79 0.00 0.00 178.44 176.86 1pnb n ILE 22 N -4.87 -0.05 -0.07 2.65 0.13 -0.94 0.29 119.36 116.50 1pnb n ILE 22 Ca -0.06 0.23 -0.12 0.00 -1.10 0.00 0.00 62.75 61.70 1pnb n ILE 22 Cb 0.19 -0.32 -0.09 0.00 -0.84 0.00 0.00 39.64 38.58 1pnb n ILE 22 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 1pnb h ARG 23 N 0.00 0.00 -0.62 9.51 1.12 -1.20 -3.30 114.38 119.89 1pnb h ARG 23 Ca 0.04 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 59.04 1pnb h ARG 23 Cb 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 29.93 1pnb h ARG 23 CO -0.10 0.73 0.03 0.37 -3.11 0.00 0.00 179.97 177.89 1pnb h GLN 24 N -1.00 0.14 -0.35 0.20 4.15 0.54 -1.52 115.11 117.27 1pnb h GLN 24 Ca -0.07 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.39 1pnb h GLN 24 Cb 0.83 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.40 1pnb h GLN 24 CO -0.04 0.10 -0.50 0.37 -1.93 0.00 0.00 178.83 176.82 1pnb h GLN 25 N 0.15 -0.39 -0.71 1.69 -0.00 0.42 0.57 115.11 116.84 1pnb h GLN 25 Ca 0.33 0.03 0.15 0.00 -0.00 0.00 0.00 58.65 59.15 1pnb h GLN 25 Cb 0.52 0.09 -0.13 0.00 0.00 0.00 0.00 27.48 27.96 1pnb h GLN 25 CO -0.50 -0.26 -0.10 -0.07 0.00 0.00 0.00 178.83 177.90 1pnb h LEU 26 N -0.41 -0.51 -8.25 -2.39 3.38 -1.37 -3.37 115.31 102.39 1pnb h LEU 26 Ca 0.09 0.20 -0.50 0.00 0.09 0.00 0.00 57.88 57.76 1pnb h LEU 26 Cb 0.61 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1pnb h LEU 26 CO -0.56 -0.20 1.69 0.00 0.09 0.00 0.00 178.44 179.46 1pnb n ALA 27 N -3.05 0.50 -3.20 1.53 0.00 0.19 -4.87 120.51 111.62 1pnb n ALA 27 Ca 0.10 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.66 1pnb n ALA 27 Cb 0.40 -2.63 -0.13 0.00 0.00 0.00 0.00 19.45 17.09 1pnb n ALA 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pnb s GLY 28 N 10.12 1.75 0.83 0.00 0.00 -1.26 -4.98 107.32 113.78 1pnb s GLY 28 Ca 1.21 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 44.44 1pnb s GLY 28 CO 0.41 0.59 -0.06 -1.14 0.00 0.00 0.00 173.10 172.89 1pnb n SER 29 N 4.87 -3.46 -4.81 1.64 3.41 -1.26 -4.91 113.62 109.10 1pnb n SER 29 Ca -0.16 0.40 -0.33 0.00 -0.26 0.00 0.00 58.87 58.53 1pnb n SER 29 Cb 0.49 -1.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.44 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 -2.41 3.46 0.00 4.33 0.04 -1.26 -5.28 135.00 133.88 1pnb s PRO 30 Ca 0.53 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1pnb s PRO 30 Cb -0.28 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1pnb s PRO 30 CO 0.70 -0.69 0.21 1.19 0.04 0.00 0.00 177.00 178.45