#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie6 n ASP 2 N 0.00 7.10 -2.53 1.61 5.75 -1.26 -4.96 116.55 122.26 1ie6 n ASP 2 Ca 0.00 -3.73 -0.07 0.00 -0.01 0.00 0.00 54.79 50.98 1ie6 n ASP 2 Cb 0.00 -1.07 0.02 0.00 -1.03 0.00 0.00 41.12 39.05 1ie6 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ie6 s LEU 4 N 0.00 3.66 0.93 0.00 1.43 0.41 -4.71 118.68 120.40 1ie6 s LEU 4 Ca 0.14 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1ie6 s LEU 4 Cb -0.04 -2.29 0.15 0.00 0.03 0.00 0.00 46.19 44.03 1ie6 s LEU 4 CO 0.09 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.26 1ie6 s PRO 5 N -4.01 1.00 -0.25 1.29 0.04 -1.26 0.32 135.00 132.13 1ie6 s PRO 5 Ca 0.41 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1ie6 s PRO 5 Cb -0.06 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.89 1ie6 s PRO 5 CO 0.27 -2.46 1.94 -2.39 0.04 0.00 0.00 177.00 174.40 1ie6 n HIS 6 N -4.05 1.25 -2.08 0.56 1.44 -1.26 -3.63 115.22 107.45 1ie6 n HIS 6 Ca 0.07 -1.70 -0.04 0.00 -2.01 0.00 0.00 57.72 54.04 1ie6 n HIS 6 Cb 0.54 -0.83 -0.05 0.00 0.12 0.00 0.00 29.99 29.77 1ie6 n HIS 6 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1ie6 n LEU 7 N 0.48 -0.56 -4.08 2.39 -0.00 -0.36 -3.10 117.00 111.76 1ie6 n LEU 7 Ca 0.24 -1.89 -0.12 0.00 -0.00 0.00 0.00 56.01 54.24 1ie6 n LEU 7 Cb 0.61 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.92 1ie6 n LEU 7 CO 0.30 1.27 -0.40 -0.75 -0.00 0.00 0.00 177.39 177.81 1ie6 s LYS 8 N 0.00 0.57 0.58 1.96 2.20 -1.24 -4.84 119.74 118.98 1ie6 s LYS 8 Ca 0.06 -0.87 -0.21 0.00 -0.36 0.00 0.00 55.97 54.59 1ie6 s LYS 8 Cb 0.06 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1ie6 s LYS 8 CO -0.03 0.03 1.34 -2.13 -0.36 0.00 0.00 175.35 174.20 1ie6 n ARG 9 N 1.16 1.51 -4.35 4.03 3.00 -1.26 -0.34 116.66 120.41 1ie6 n ARG 9 Ca -0.21 0.56 -0.19 0.00 -0.00 0.00 0.00 57.85 58.01 1ie6 n ARG 9 Cb 0.56 -2.56 -0.13 0.00 0.00 0.00 0.00 32.46 30.32 1ie6 n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ie6 n LYS 11 N 2.09 0.15 -3.64 0.00 4.81 -1.26 -4.14 118.16 116.17 1ie6 n LYS 11 Ca -0.17 0.07 -0.10 0.00 -0.87 0.00 0.00 58.31 57.23 1ie6 n LYS 11 Cb 0.55 -1.62 -0.07 0.00 0.02 0.00 0.00 35.03 33.91 1ie6 n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ie6 s ALA 12 N -3.08 -1.84 0.57 3.14 0.00 -1.26 -4.90 121.76 114.38 1ie6 s ALA 12 Ca 0.10 2.25 0.46 0.00 0.00 0.00 0.00 51.96 54.77 1ie6 s ALA 12 Cb 0.15 -1.33 1.60 0.00 0.00 0.00 0.00 23.12 23.55 1ie6 s ALA 12 CO 0.66 -0.36 1.53 -0.44 0.00 0.00 0.00 175.76 177.15 1ie6 h ASP 13 N 6.09 0.00 -0.20 0.00 3.32 -1.89 2.04 116.42 125.78 1ie6 h ASP 13 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1ie6 h ASP 13 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1ie6 h ASP 13 CO 0.11 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.22 1ie6 n ASN 14 N -3.82 1.76 -0.03 6.45 4.13 -1.26 -3.70 115.26 118.78 1ie6 n ASN 14 Ca 0.41 -2.13 -0.01 0.00 1.68 0.00 0.00 54.58 54.53 1ie6 n ASN 14 Cb 1.93 -0.33 -0.14 0.00 -1.54 0.00 0.00 39.78 39.70 1ie6 n ASN 14 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1ie6 n ASP 15 N 0.17 0.28 -4.89 6.41 -0.08 0.69 -4.93 116.55 114.21 1ie6 n ASP 15 Ca 0.08 0.12 -0.29 0.00 -1.51 0.00 0.00 54.79 53.19 1ie6 n ASP 15 Cb 0.35 1.01 0.09 0.00 2.34 0.00 0.00 41.12 44.90 1ie6 n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ie6 n GLY 18 N 1.39 0.13 2.76 0.00 0.00 -1.26 -4.92 105.19 103.29 1ie6 n GLY 18 Ca 0.04 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1ie6 n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ie6 n LYS 19 N 0.12 -1.66 -3.39 1.61 0.00 -1.23 -4.86 118.16 108.74 1ie6 n LYS 19 Ca 0.10 0.94 -0.26 0.00 0.00 0.00 0.00 58.31 59.09 1ie6 n LYS 19 Cb 0.48 -5.37 -0.08 0.00 0.00 0.00 0.00 35.03 30.06 1ie6 n LYS 19 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1ie6 n LYS 20 N -1.07 1.60 -2.77 1.64 2.85 -1.26 -4.80 118.16 114.35 1ie6 n LYS 20 Ca -0.13 -4.01 -0.41 0.00 -1.05 0.00 0.00 58.31 52.71 1ie6 n LYS 20 Cb 0.61 -1.84 -0.04 0.00 -0.65 0.00 0.00 35.03 33.10 1ie6 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ie6 s LYS 22 N 0.16 3.02 0.85 0.00 1.02 0.13 -4.35 119.74 120.57 1ie6 s LYS 22 Ca 0.46 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 55.40 1ie6 s LYS 22 Cb -0.22 -3.97 0.11 0.00 -0.52 0.00 0.00 37.83 33.22 1ie6 s LYS 22 CO 0.28 -0.78 1.18 -0.98 -0.92 0.00 0.00 175.35 174.13 1ie6 s ARG 23 N 1.84 1.63 -0.85 1.68 1.04 -1.26 -2.79 118.95 120.23 1ie6 s ARG 23 Ca 0.07 0.11 -0.07 0.00 -1.04 0.00 0.00 55.73 54.80 1ie6 s ARG 23 Cb -0.18 -1.91 -0.08 0.00 -2.04 0.00 0.00 34.95 30.73 1ie6 s ARG 23 CO 0.11 -1.83 3.04 -2.13 -0.04 0.00 0.00 175.30 174.45 1ie6 n ARG 24 N -3.48 3.10 0.00 3.89 0.63 -1.26 -4.35 116.66 115.20 1ie6 n ARG 24 Ca 0.08 -2.08 0.00 0.00 -0.92 0.00 0.00 57.85 54.93 1ie6 n ARG 24 Cb 0.60 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1ie6 n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ie6 n GLY 25 N 2.42 -2.32 2.35 5.14 0.00 -1.26 -5.02 105.19 106.50 1ie6 n GLY 25 Ca 0.59 0.75 -0.15 0.00 0.00 0.00 0.00 46.02 47.20 1ie6 n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ie6 n THR 26 N 0.00 -0.09 -1.68 2.61 5.66 -1.26 -5.10 114.28 114.41 1ie6 n THR 26 Ca 0.00 -3.72 0.00 0.00 -3.05 0.00 0.00 64.05 57.28 1ie6 n THR 26 Cb 0.00 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 1ie6 n THR 26 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ie6 n ASN 27 N 0.28 -8.54 0.00 1.09 5.15 -1.26 -4.90 115.26 107.08 1ie6 n ASN 27 Ca 0.19 1.25 0.00 0.00 -0.60 0.00 0.00 54.58 55.42 1ie6 n ASN 27 Cb 0.68 -5.04 0.00 0.00 -0.53 0.00 0.00 39.78 34.88 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ie6 n ALA 28 N -0.89 0.00 0.00 5.20 0.00 -1.26 -4.74 120.51 118.82 1ie6 n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ie6 n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ie6 n ALA 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ie6 n GLU 29 N 0.00 0.00 0.00 0.00 0.28 -1.26 -4.26 120.64 115.40 1ie6 n GLU 29 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ie6 n GLU 29 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ie6 n GLU 29 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ie6 n LYS 30 N 0.00 0.00 -4.12 3.44 4.76 -1.26 -4.80 118.16 116.18 1ie6 n LYS 30 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1ie6 n LYS 30 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1ie6 n LYS 30 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1ie6 s ARG 31 N 0.00 0.55 0.20 1.97 3.52 -1.12 -1.44 118.95 122.63 1ie6 s ARG 31 Ca 0.00 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 1ie6 s ARG 31 Cb 0.00 -0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 32.89 1ie6 s ARG 31 CO 0.00 0.09 1.27 0.00 -0.81 0.00 0.00 175.30 175.85