#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 -5.04 -0.87 -0.72 0.00 -4.01 -1.23 -5.00 116.66 99.78 1bgk n ARG 3 Ca 0.05 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.53 1bgk n ARG 3 Cb 0.56 0.00 0.15 0.00 -3.04 0.00 0.00 32.46 30.13 1bgk n ARG 3 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1bgk n ASP 4 N 0.00 -2.40 0.00 2.89 5.68 -1.25 -3.82 116.55 117.65 1bgk n ASP 4 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1bgk n ASP 4 Cb 0.00 -1.00 0.00 0.00 -1.14 0.00 0.00 41.12 38.98 1bgk n ASP 4 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bgk n TRP 5 N -4.13 0.00 -0.12 2.11 7.02 0.26 -4.76 117.44 117.82 1bgk n TRP 5 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1bgk n TRP 5 Cb 0.60 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 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 -0.72 0.00 -2.43 -5.99 3.72 -1.26 -4.94 117.46 105.84 1bgk n PHE 6 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 1bgk n PHE 6 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 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 1.37 3.77 0.39 -1.08 2.47 -1.26 -4.81 119.74 120.58 1bgk s LYS 7 Ca 0.00 1.52 0.20 0.00 -1.56 0.00 0.00 55.97 56.13 1bgk s LYS 7 Cb 0.00 -2.22 1.07 0.00 -1.46 0.00 0.00 37.83 35.22 1bgk s LYS 7 CO 0.00 -0.48 1.55 0.93 0.16 0.00 0.00 175.35 177.51 1bgk h GLU 8 N 1.77 0.00 0.00 4.03 3.07 -1.98 0.21 114.58 121.67 1bgk h GLU 8 Ca -0.49 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.27 1bgk h GLU 8 Cb 1.23 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 1bgk h GLU 8 CO 0.59 0.00 -1.76 0.25 -1.40 0.00 0.00 179.01 176.69 1bgk n THR 9 N -2.28 0.58 -0.22 1.13 -2.24 -1.26 -3.25 114.28 106.73 1bgk n THR 9 Ca -0.01 -0.61 -0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1bgk n THR 9 Cb 0.22 -0.28 0.11 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.72 0.86 -0.91 6.98 0.00 -1.29 0.94 119.26 127.56 1bgk h ALA 10 Ca -0.12 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1bgk h ALA 10 Cb 1.32 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1bgk h ALA 10 CO 0.01 -0.07 0.59 0.00 0.00 0.00 0.00 179.25 179.79 1bgk h ARG 12 N 1.14 0.16 0.00 0.00 2.43 0.85 -0.12 114.38 118.83 1bgk h ARG 12 Ca 0.37 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1bgk h ARG 12 Cb 0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1bgk h ARG 12 CO -0.13 0.10 -0.23 1.25 -1.51 0.00 0.00 179.97 179.46 1bgk h HIS 13 N 0.16 0.00 0.00 2.20 2.76 0.86 -1.46 115.15 119.67 1bgk h HIS 13 Ca 0.09 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.00 1bgk h HIS 13 Cb 0.17 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1bgk h HIS 13 CO -0.00 0.23 -1.98 0.00 -1.30 0.00 0.00 177.93 174.88 1bgk n ALA 14 N -2.18 1.74 0.04 5.26 0.00 -0.17 -2.85 120.51 122.35 1bgk n ALA 14 Ca 0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 53.44 52.48 1bgk n ALA 14 Cb 0.52 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 1bgk n ALA 14 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bgk h LYS 15 N 0.00 0.00 0.00 0.00 6.56 -1.31 1.14 116.57 122.96 1bgk h LYS 15 Ca -0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1bgk h LYS 15 Cb 1.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.57 1bgk h LYS 15 CO 0.04 0.52 -1.13 0.45 -2.06 0.00 0.00 179.45 177.27 1bgk n SER 16 N -3.08 0.68 -0.05 0.86 2.88 -0.55 -4.44 113.62 109.92 1bgk n SER 16 Ca -0.08 0.19 -0.20 0.00 -1.33 0.00 0.00 58.87 57.45 1bgk n SER 16 Cb 0.90 0.71 -0.13 0.00 -0.75 0.00 0.00 64.21 64.94 1bgk n SER 16 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1bgk h LEU 17 N 0.00 0.16 0.00 2.46 8.10 -1.64 -3.49 115.31 120.90 1bgk h LEU 17 Ca 0.00 -0.74 0.00 0.00 0.11 0.00 0.00 57.88 57.25 1bgk h LEU 17 Cb 0.94 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 41.11 1bgk h LEU 17 CO 0.00 1.49 0.00 0.61 -4.11 0.00 0.00 178.44 176.43 1bgk n GLY 18 N 1.61 0.03 0.00 0.17 0.00 -1.22 -4.98 105.19 100.80 1bgk n GLY 18 Ca -0.26 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.82 1bgk n GLY 18 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bgk n ASN 19 N 0.00 0.00 -0.29 1.61 3.02 -0.28 -4.13 115.26 115.19 1bgk n ASN 19 Ca 0.00 -1.18 0.22 0.00 -0.03 0.00 0.00 54.58 53.59 1bgk n ASN 19 Cb 0.00 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 39.59 1bgk n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bgk n ARG 21 N -5.10 1.23 0.00 0.00 1.74 -1.26 -3.43 116.66 109.84 1bgk n ARG 21 Ca 0.29 -0.90 0.09 0.00 -0.77 0.00 0.00 57.85 56.55 1bgk n ARG 21 Cb 0.96 -0.71 -0.01 0.00 -1.02 0.00 0.00 32.46 31.68 1bgk n ARG 21 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1bgk n THR 22 N -0.21 0.00 -4.37 0.55 -2.24 -0.75 -4.92 114.28 102.34 1bgk n THR 22 Ca 0.00 -0.29 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 1bgk n THR 22 Cb 0.39 1.20 -0.13 0.00 -2.10 0.00 0.00 70.33 69.69 1bgk n THR 22 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bgk s SER 23 N -2.15 3.15 -0.11 3.42 0.01 -1.12 -5.00 113.70 111.89 1bgk s SER 23 Ca 0.15 -0.76 -0.28 0.00 1.31 0.00 0.00 55.95 56.37 1bgk s SER 23 Cb 0.15 -0.21 -0.26 0.00 0.21 0.00 0.00 66.02 65.91 1bgk s SER 23 CO 0.48 0.13 0.85 1.56 0.41 0.00 0.00 173.24 176.68 1bgk h GLN 24 N 3.78 0.04 -0.85 12.44 4.20 -1.92 -0.08 115.11 132.72 1bgk h GLN 24 Ca -0.49 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.11 1bgk h GLN 24 Cb 1.18 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 1bgk h GLN 24 CO 0.41 0.97 0.06 1.17 -0.67 0.00 0.00 178.83 180.77 1bgk n LYS 25 N -4.58 2.52 0.00 1.46 4.81 -1.26 -1.03 118.16 120.08 1bgk n LYS 25 Ca -0.10 -1.42 0.00 0.00 -0.87 0.00 0.00 58.31 55.92 1bgk n LYS 25 Cb 0.49 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1bgk n LYS 25 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bgk n TYR 26 N 0.17 0.00 -0.34 5.64 4.02 -1.25 -3.43 117.16 121.97 1bgk n TYR 26 Ca 0.16 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.25 1bgk n TYR 26 Cb 0.76 0.00 0.43 0.00 -0.02 0.00 0.00 39.34 40.51 1bgk n TYR 26 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1bgk h ARG 27 N 0.00 0.48 0.01 -0.72 0.11 -1.02 0.50 114.38 113.75 1bgk h ARG 27 Ca 0.00 -0.03 -0.34 0.00 0.10 0.00 0.00 59.98 59.71 1bgk h ARG 27 Cb 0.00 -0.11 -0.05 0.00 1.11 0.00 0.00 29.97 30.92 1bgk h ARG 27 CO 0.00 0.32 -1.87 0.00 0.10 0.00 0.00 179.97 178.52 1bgk n ALA 28 N -2.35 0.98 1.70 0.08 0.00 -0.20 -3.37 120.51 117.35 1bgk n ALA 28 Ca 0.27 -0.75 0.02 0.00 0.00 0.00 0.00 53.44 52.98 1bgk n ALA 28 Cb 0.82 -0.30 0.08 0.00 0.00 0.00 0.00 19.45 20.05 1bgk n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bgk n ASN 29 N -4.19 0.51 -2.16 0.00 5.03 -1.12 -3.28 115.26 110.05 1bgk n ASN 29 Ca -0.41 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.08 1bgk n ASN 29 Cb 0.81 -0.06 0.04 0.00 -1.02 0.00 0.00 39.78 39.55 1bgk n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bgk n ALA 31 N -0.30 1.88 0.08 0.00 0.00 -1.21 -1.78 120.51 119.19 1bgk n ALA 31 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1bgk n ALA 31 Cb 0.92 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.88 0.40 116.57 118.20 1bgk h LYS 32 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1bgk h LYS 32 Cb 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1bgk h LYS 32 CO 0.00 0.30 -0.93 1.15 -2.81 0.00 0.00 179.45 177.16 1bgk h THR 33 N 0.00 0.33 0.00 1.00 2.02 -1.68 -3.35 112.91 111.23 1bgk h THR 33 Ca -0.09 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1bgk h THR 33 Cb 1.43 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1bgk h THR 33 CO 0.04 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.12 1bgk n GLU 35 N -0.04 -1.46 0.00 0.00 1.02 0.12 -4.84 120.64 115.44 1bgk n GLU 35 Ca 0.00 0.75 0.13 0.00 -0.02 0.00 0.00 57.16 58.02 1bgk n GLU 35 Cb 0.04 -5.12 0.50 0.00 -0.02 0.00 0.00 31.44 26.84 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 -2.31 0.35 0.00 -4.62 4.77 0.30 -4.99 117.00 110.50 1bgk n LEU 36 Ca -0.18 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1bgk n LEU 36 Cb 0.64 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1bgk n LEU 36 CO 0.23 0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.36