#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bgk n ARG 3 N -1.67 -2.11 -1.32 0.00 1.85 -1.25 -5.02 116.66 107.16 1bgk n ARG 3 Ca 0.04 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.52 1bgk n ARG 3 Cb 0.62 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 32.09 1bgk n ARG 3 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1bgk n ASP 4 N 0.00 -1.21 0.00 2.89 5.75 -1.15 -3.99 116.55 118.85 1bgk n ASP 4 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 54.79 55.41 1bgk n ASP 4 Cb 0.00 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 38.89 1bgk n ASP 4 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bgk n TRP 5 N -2.19 0.00 -0.13 2.11 7.02 0.27 -4.85 117.44 119.67 1bgk n TRP 5 Ca 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1bgk n TRP 5 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1bgk n TRP 5 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1bgk n PHE 6 N -0.61 0.00 -2.52 -5.99 3.72 -1.26 -4.94 117.46 105.86 1bgk n PHE 6 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 1bgk n PHE 6 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1bgk n PHE 6 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1bgk s LYS 7 N 1.36 3.76 0.53 -1.08 2.47 -1.26 -4.81 119.74 120.71 1bgk s LYS 7 Ca 0.00 1.38 0.25 0.00 -1.56 0.00 0.00 55.97 56.04 1bgk s LYS 7 Cb 0.00 -2.09 1.35 0.00 -1.46 0.00 0.00 37.83 35.63 1bgk s LYS 7 CO 0.00 -0.46 1.73 0.93 0.16 0.00 0.00 175.35 177.70 1bgk h GLU 8 N 1.53 0.00 0.00 4.03 5.08 -1.97 0.14 114.58 123.40 1bgk h GLU 8 Ca -0.50 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.59 1bgk h GLU 8 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1bgk h GLU 8 CO 0.59 0.00 -1.68 0.25 -1.00 0.00 0.00 179.01 177.17 1bgk n THR 9 N -2.59 1.52 -0.35 1.13 -2.24 -1.26 -2.87 114.28 107.62 1bgk n THR 9 Ca -0.02 -0.78 0.12 0.00 -2.27 0.00 0.00 64.05 61.11 1bgk n THR 9 Cb 0.32 -0.95 0.31 0.00 -2.10 0.00 0.00 70.33 67.90 1bgk n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bgk h ALA 10 N 1.08 1.62 0.60 6.98 0.00 -1.04 -0.72 119.26 127.77 1bgk h ALA 10 Ca -0.27 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1bgk h ALA 10 Cb 1.94 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.65 1bgk h ALA 10 CO 0.07 -0.04 -0.29 0.00 0.00 0.00 0.00 179.25 178.99 1bgk h ARG 12 N -0.90 0.02 0.72 0.00 2.43 -1.04 0.83 114.38 116.43 1bgk h ARG 12 Ca -0.08 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1bgk h ARG 12 Cb 0.62 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1bgk h ARG 12 CO 0.13 0.01 -0.35 1.25 -1.51 0.00 0.00 179.97 179.51 1bgk h HIS 13 N 0.02 -0.89 0.00 2.20 2.76 -0.98 -0.70 115.15 117.56 1bgk h HIS 13 Ca 0.77 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.92 1bgk h HIS 13 Cb 3.00 0.30 0.00 0.00 1.55 0.00 0.00 27.41 32.25 1bgk h HIS 13 CO -0.00 -0.53 0.07 0.00 -1.30 0.00 0.00 177.93 176.17 1bgk n ALA 14 N -2.64 0.87 -0.07 5.26 0.00 0.28 -0.84 120.51 123.37 1bgk n ALA 14 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1bgk n ALA 14 Cb 0.40 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 1bgk n ALA 14 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bgk h LYS 15 N 0.00 0.00 -0.55 0.00 3.64 0.18 1.31 116.57 121.15 1bgk h LYS 15 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bgk h LYS 15 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1bgk h LYS 15 CO 0.00 0.27 0.00 0.45 -2.27 0.00 0.00 179.45 177.90 1bgk n SER 16 N -4.63 3.03 -0.05 4.20 2.88 -1.03 -4.39 113.62 113.62 1bgk n SER 16 Ca -0.09 -2.12 -0.02 0.00 -1.33 0.00 0.00 58.87 55.30 1bgk n SER 16 Cb 0.28 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 1bgk n SER 16 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bgk h LEU 17 N 2.94 0.00 0.00 2.46 3.38 -1.16 -3.50 115.31 119.44 1bgk h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bgk h LEU 17 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1bgk h LEU 17 CO 0.07 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.72 1bgk n GLY 18 N 1.71 1.58 0.28 0.83 0.00 -1.26 -4.96 105.19 103.36 1bgk n GLY 18 Ca -0.04 -0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.01 1bgk n GLY 18 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bgk h ASN 19 N 0.57 0.00 -0.21 1.61 2.35 -1.88 -3.33 115.58 114.69 1bgk h ASN 19 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1bgk h ASN 19 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1bgk h ASN 19 CO 0.00 0.06 0.08 0.00 -1.65 0.00 0.00 177.43 175.92 1bgk n ARG 21 N -3.68 4.94 0.00 0.00 0.00 -1.25 -3.30 116.66 113.37 1bgk n ARG 21 Ca 0.07 -0.03 0.13 0.00 -0.00 0.00 0.00 57.85 58.02 1bgk n ARG 21 Cb 0.24 -0.42 0.28 0.00 0.00 0.00 0.00 32.46 32.56 1bgk n ARG 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1bgk n THR 22 N -0.71 0.00 -5.27 5.15 -2.24 0.12 -4.84 114.28 106.49 1bgk n THR 22 Ca 0.00 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 1bgk n THR 22 Cb 0.00 1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 1bgk n THR 22 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bgk s SER 23 N -2.03 3.14 0.00 3.42 0.15 -0.27 -5.00 113.70 113.11 1bgk s SER 23 Ca 0.32 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1bgk s SER 23 Cb 0.20 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1bgk s SER 23 CO 0.33 0.32 0.40 1.67 1.20 0.00 0.00 173.24 177.15 1bgk n GLN 24 N 2.47 0.00 -0.20 5.44 7.27 -1.26 -0.97 117.38 130.13 1bgk n GLN 24 Ca -0.16 0.22 0.01 0.00 0.07 0.00 0.00 57.00 57.14 1bgk n GLN 24 Cb 0.51 -1.00 0.09 0.00 2.41 0.00 0.00 30.24 32.26 1bgk n GLN 24 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1bgk h LYS 25 N 0.00 0.09 -0.94 3.69 3.64 -1.98 0.56 116.57 121.63 1bgk h LYS 25 Ca 0.00 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 1bgk h LYS 25 Cb 0.00 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.72 1bgk h LYS 25 CO 0.00 0.06 0.61 1.88 -2.27 0.00 0.00 179.45 179.73 1bgk h TYR 26 N 0.09 0.68 0.00 1.91 -1.99 -1.91 2.20 116.97 117.94 1bgk h TYR 26 Ca 0.32 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.97 1bgk h TYR 26 Cb 0.51 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1bgk h TYR 26 CO -0.39 0.17 -0.65 0.07 -0.00 0.00 0.00 178.16 177.35 1bgk h ARG 27 N 0.50 0.00 0.00 4.88 0.11 0.88 -3.25 114.38 117.50 1bgk h ARG 27 Ca 0.50 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.56 1bgk h ARG 27 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1bgk h ARG 27 CO -0.23 0.70 -0.31 0.00 0.10 0.00 0.00 179.97 180.23 1bgk h ALA 28 N -0.52 0.03 -0.38 0.08 0.00 -1.09 -2.23 119.26 115.16 1bgk h ALA 28 Ca -0.15 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.49 1bgk h ALA 28 Cb 0.93 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1bgk h ALA 28 CO -0.09 0.25 0.39 -0.91 0.00 0.00 0.00 179.25 178.88 1bgk h ASN 29 N -1.00 0.00 -1.36 0.00 2.35 0.34 -0.44 115.58 115.47 1bgk h ASN 29 Ca -0.04 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.16 1bgk h ASN 29 Cb 0.45 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.40 1bgk h ASN 29 CO -0.02 0.00 -0.80 0.00 -1.65 0.00 0.00 177.43 174.96 1bgk n ALA 31 N -0.46 2.51 0.10 0.00 0.00 -0.17 -2.95 120.51 119.53 1bgk n ALA 31 Ca 0.36 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.70 1bgk n ALA 31 Cb 0.71 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1bgk n ALA 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bgk h LYS 32 N 0.00 0.00 0.00 0.00 3.11 -1.84 0.52 116.57 118.37 1bgk h LYS 32 Ca 0.00 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.61 1bgk h LYS 32 Cb 0.18 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.38 1bgk h LYS 32 CO 0.00 0.20 -1.46 0.00 -2.81 0.00 0.00 179.45 175.39 1bgk h THR 33 N 0.00 0.79 -0.01 1.00 1.03 -1.86 -3.35 112.91 110.52 1bgk h THR 33 Ca -0.06 -2.47 0.00 0.00 -0.01 0.00 0.00 66.41 63.87 1bgk h THR 33 Cb 1.29 2.31 0.00 0.00 -1.07 0.00 0.00 68.15 70.68 1bgk h THR 33 CO 0.03 0.45 -0.11 0.00 -0.01 0.00 0.00 175.52 175.88 1bgk n GLU 35 N -0.10 -3.66 0.00 0.00 1.02 0.16 -4.86 120.64 113.20 1bgk n GLU 35 Ca 0.04 0.69 0.13 0.00 -0.02 0.00 0.00 57.16 58.00 1bgk n GLU 35 Cb 0.17 -5.10 0.43 0.00 -0.02 0.00 0.00 31.44 26.92 1bgk n GLU 35 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1bgk n LEU 36 N -3.09 0.27 0.00 -4.62 4.77 0.34 -4.98 117.00 109.69 1bgk n LEU 36 Ca -0.09 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1bgk n LEU 36 Cb 0.59 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1bgk n LEU 36 CO 0.35 0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.47