#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 0.15 3.69 0.04 -1.26 -4.94 135.00 137.12 1pnb s PRO 2 Ca 0.00 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1pnb s PRO 2 Cb 0.00 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1pnb s PRO 2 CO 0.00 -0.27 1.52 0.37 0.04 0.00 0.00 177.00 178.66 1pnb h GLN 3 N 6.92 0.96 -0.99 4.56 4.15 -2.05 -2.92 115.11 125.74 1pnb h GLN 3 Ca -0.40 -0.44 0.35 0.00 0.77 0.00 0.00 58.65 58.93 1pnb h GLN 3 Cb 1.21 -0.02 -0.16 0.00 0.21 0.00 0.00 27.48 28.72 1pnb h GLN 3 CO 0.82 1.11 0.52 0.87 -1.93 0.00 0.00 178.83 180.21 1pnb h LYS 4 N 0.80 0.18 0.07 1.69 1.79 -1.97 0.49 116.57 119.62 1pnb h LYS 4 Ca 0.09 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1pnb h LYS 4 Cb 0.84 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1pnb h LYS 4 CO 0.07 0.12 -0.05 0.00 -1.08 0.00 0.00 179.45 178.52 1pnb h GLN 6 N -0.11 0.20 0.88 0.00 1.08 -1.00 -0.74 115.11 115.40 1pnb h GLN 6 Ca -0.01 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1pnb h GLN 6 Cb 0.09 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1pnb h GLN 6 CO 0.01 0.13 -0.42 -0.09 -0.95 0.00 0.00 178.83 177.51 1pnb h ARG 7 N 0.20 -1.13 -0.99 1.46 2.43 0.14 -2.93 114.38 113.56 1pnb h ARG 7 Ca 0.51 0.08 0.23 0.00 -0.81 0.00 0.00 59.98 59.99 1pnb h ARG 7 Cb 0.98 0.26 -0.19 0.00 -0.42 0.00 0.00 29.97 30.61 1pnb h ARG 7 CO -0.64 -0.75 -0.12 0.93 -1.51 0.00 0.00 179.97 177.88 1pnb h GLU 8 N -1.25 0.00 -0.26 0.20 4.39 0.34 1.37 114.58 119.39 1pnb h GLU 8 Ca -0.12 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1pnb h GLU 8 Cb 0.91 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.49 1pnb h GLU 8 CO 0.20 0.00 -0.45 0.35 -1.16 0.00 0.00 179.01 177.95 1pnb h PHE 9 N 0.00 -1.37 -0.34 4.33 3.57 -1.03 -1.48 116.94 120.61 1pnb h PHE 9 Ca 0.53 0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.97 1pnb h PHE 9 Cb 0.96 0.63 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 1pnb h PHE 9 CO -0.64 -0.42 -0.28 0.37 -2.23 0.00 0.00 178.31 175.11 1pnb h GLN 10 N -0.38 0.71 -0.95 1.11 4.15 -0.70 -3.03 115.11 116.03 1pnb h GLN 10 Ca 0.05 -0.31 0.37 0.00 0.77 0.00 0.00 58.65 59.53 1pnb h GLN 10 Cb 0.51 -0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.04 1pnb h GLN 10 CO -0.44 0.91 0.56 0.94 -1.93 0.00 0.00 178.83 178.87 1pnb n GLN 11 N -4.09 -0.04 0.00 1.69 0.00 0.44 -3.07 117.38 112.31 1pnb n GLN 11 Ca -0.01 1.11 0.00 0.00 -0.00 0.00 0.00 57.00 58.10 1pnb n GLN 11 Cb 0.46 -2.06 0.00 0.00 0.00 0.00 0.00 30.24 28.64 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 -4.68 0.00 0.00 3.69 -0.58 -1.06 -5.05 120.64 112.96 1pnb n GLU 12 Ca 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1pnb n GLU 12 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 32.03 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 -0.02 3.49 6.02 -1.17 -5.06 117.38 120.63 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 -0.92 1.08 8.25 -1.25 -4.62 115.22 117.76 1pnb n HIS 14 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1pnb n HIS 14 Cb 0.00 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.18 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 -3.83 -0.07 2.41 -0.00 -1.26 -4.95 117.00 109.34 1pnb n LEU 15 Ca 0.00 0.18 -0.12 0.00 -0.00 0.00 0.00 56.01 56.07 1pnb n LEU 15 Cb 0.00 -0.86 -0.06 0.00 -0.00 0.00 0.00 43.42 42.50 1pnb n LEU 15 CO 0.00 -4.74 -0.95 0.54 -0.00 0.00 0.00 177.39 172.24 1pnb n ARG 16 N 1.05 0.32 -0.40 1.47 1.74 -1.26 -4.00 116.66 115.56 1pnb n ARG 16 Ca 0.01 0.10 0.35 0.00 -0.77 0.00 0.00 57.85 57.54 1pnb n ARG 16 Cb 0.58 -1.16 0.60 0.00 -1.02 0.00 0.00 32.46 31.47 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 -3.19 1.19 0.09 7.54 0.00 -1.26 0.36 120.51 125.24 1pnb n ALA 17 Ca -0.25 0.82 -0.22 0.00 0.00 0.00 0.00 53.44 53.79 1pnb n ALA 17 Cb 0.73 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.59 -0.04 -0.33 0.00 10.64 1.13 0.86 117.38 126.07 1pnb n GLN 19 Ca -0.21 1.05 -0.01 0.00 -1.83 0.00 0.00 57.00 55.99 1pnb n GLN 19 Cb 1.08 -2.01 0.05 0.00 -0.86 0.00 0.00 30.24 28.49 1pnb n GLN 19 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 1pnb h GLN 20 N 0.00 -0.04 0.00 2.61 1.08 -1.54 0.76 115.11 117.99 1pnb h GLN 20 Ca 0.71 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.88 1pnb h GLN 20 Cb 2.16 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 29.59 1pnb h GLN 20 CO -0.45 -0.03 -0.16 2.35 -0.95 0.00 0.00 178.83 179.59 1pnb h TRP 21 N -0.04 0.00 -0.77 2.96 7.01 0.20 -0.93 115.95 124.39 1pnb h TRP 21 Ca 0.33 0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.54 1pnb h TRP 21 Cb 0.60 0.00 -0.14 0.00 -2.10 0.00 0.00 29.16 27.51 1pnb h TRP 21 CO -0.79 0.94 -0.02 -0.89 -2.79 0.00 0.00 178.44 174.89 1pnb n ILE 22 N -4.61 -0.32 -0.06 2.65 5.41 -0.62 0.29 119.36 122.10 1pnb n ILE 22 Ca -0.12 1.70 -0.05 0.00 1.00 0.00 0.00 62.75 65.28 1pnb n ILE 22 Cb 0.45 -2.46 -0.04 0.00 -0.71 0.00 0.00 39.64 36.88 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 -1.01 0.38 2.43 0.41 -3.34 114.38 113.25 1pnb h ARG 23 Ca 0.45 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.93 1pnb h ARG 23 Cb 0.89 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.30 1pnb h ARG 23 CO -0.74 0.31 0.58 0.37 -1.51 0.00 0.00 179.97 178.99 1pnb h GLN 24 N -1.00 0.36 -0.99 0.20 -0.00 0.59 0.14 115.11 114.41 1pnb h GLN 24 Ca -0.02 -0.02 0.20 0.00 -0.00 0.00 0.00 58.65 58.80 1pnb h GLN 24 Cb 0.39 -0.08 -0.19 0.00 0.00 0.00 0.00 27.48 27.60 1pnb h GLN 24 CO -0.01 0.24 -0.26 0.94 0.00 0.00 0.00 178.83 179.74 1pnb n GLN 25 N -5.00 -0.10 -0.30 1.69 0.00 0.83 0.15 117.38 114.64 1pnb n GLN 25 Ca 0.31 1.54 0.08 0.00 -0.00 0.00 0.00 57.00 58.93 1pnb n GLN 25 Cb 0.95 -2.30 0.19 0.00 0.00 0.00 0.00 30.24 29.07 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 -0.51 -7.00 1.69 3.38 -0.89 -3.44 115.31 108.55 1pnb h LEU 26 Ca 0.47 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.86 1pnb h LEU 26 Cb 0.71 0.44 -0.21 0.00 0.09 0.00 0.00 40.66 41.70 1pnb h LEU 26 CO -1.02 -0.26 0.73 0.00 0.09 0.00 0.00 178.44 177.98 1pnb s ALA 27 N -6.12 -2.01 0.30 1.53 0.00 0.39 -5.19 121.76 110.67 1pnb s ALA 27 Ca -0.14 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1pnb s ALA 27 Cb 0.25 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 1pnb s ALA 27 CO 0.76 -0.48 0.04 0.20 0.00 0.00 0.00 175.76 176.29 1pnb s GLY 28 N -1.78 1.96 -0.34 0.00 0.00 -1.24 -4.50 107.32 101.42 1pnb s GLY 28 Ca 0.06 -1.99 -0.07 0.00 0.00 0.00 0.00 44.72 42.71 1pnb s GLY 28 CO -0.04 -1.78 1.09 -0.45 0.00 0.00 0.00 173.10 171.92 1pnb s SER 29 N -3.44 -0.29 0.43 1.64 0.15 -1.26 -5.16 113.70 105.77 1pnb s SER 29 Ca 0.35 -0.29 -0.23 0.00 0.70 0.00 0.00 55.95 56.48 1pnb s SER 29 Cb 0.08 0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 1pnb s SER 29 CO 0.14 -0.02 1.05 -2.16 1.20 0.00 0.00 173.24 173.45 1pnb s PRO 30 N 1.22 4.02 0.00 5.44 0.04 -1.26 -5.30 135.00 139.16 1pnb s PRO 30 Ca 0.21 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1pnb s PRO 30 Cb 0.11 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1pnb s PRO 30 CO -0.12 -0.26 0.00 1.19 0.04 0.00 0.00 177.00 177.85