#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie6 s ASP 2 N 0.00 7.17 0.38 1.61 -1.08 -1.26 -5.03 116.67 118.46 1ie6 s ASP 2 Ca 0.00 1.56 0.08 0.00 -0.52 0.00 0.00 52.55 53.66 1ie6 s ASP 2 Cb 0.00 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.85 1ie6 s ASP 2 CO 0.00 -0.53 0.07 0.00 0.52 0.00 0.00 175.17 175.24 1ie6 s LEU 4 N -3.79 3.35 1.12 0.00 1.43 0.67 -4.60 118.68 116.86 1ie6 s LEU 4 Ca 0.37 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.29 1ie6 s LEU 4 Cb 0.04 -3.85 0.25 0.00 0.03 0.00 0.00 46.19 42.66 1ie6 s LEU 4 CO 0.20 -0.88 1.05 -2.16 0.23 0.00 0.00 176.35 174.80 1ie6 s PRO 5 N -4.96 -0.52 -0.32 1.29 0.04 -1.26 0.27 135.00 129.53 1ie6 s PRO 5 Ca 0.52 0.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.17 1ie6 s PRO 5 Cb -0.11 -1.62 0.27 0.00 0.04 0.00 0.00 34.50 33.09 1ie6 s PRO 5 CO 0.47 -3.39 1.87 1.58 0.04 0.00 0.00 177.00 177.57 1ie6 n HIS 6 N -4.65 1.70 -1.89 0.56 -0.00 -1.26 -3.91 115.22 105.76 1ie6 n HIS 6 Ca 0.04 -1.84 0.00 0.00 -0.00 0.00 0.00 57.72 55.92 1ie6 n HIS 6 Cb 0.56 -0.90 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 1ie6 n HIS 6 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ie6 n LEU 7 N 0.05 0.00 -4.38 0.27 4.77 -0.87 -4.37 117.00 112.46 1ie6 n LEU 7 Ca 0.33 -0.82 -0.21 0.00 -0.03 0.00 0.00 56.01 55.28 1ie6 n LEU 7 Cb 0.74 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1ie6 n LEU 7 CO 0.40 0.86 -0.47 -0.54 -1.33 0.00 0.00 177.39 176.31 1ie6 s LYS 8 N 0.00 1.43 0.46 3.23 1.02 -1.25 -4.76 119.74 119.86 1ie6 s LYS 8 Ca 0.00 -1.60 -0.24 0.00 0.02 0.00 0.00 55.97 54.15 1ie6 s LYS 8 Cb 0.00 -1.39 -0.07 0.00 -0.52 0.00 0.00 37.83 35.85 1ie6 s LYS 8 CO 0.00 0.26 1.34 0.50 -0.92 0.00 0.00 175.35 176.52 1ie6 s ARG 9 N -3.37 3.64 0.17 1.68 6.06 -1.26 -0.83 118.95 125.04 1ie6 s ARG 9 Ca 0.23 2.21 0.07 0.00 -2.50 0.00 0.00 55.73 55.74 1ie6 s ARG 9 Cb -0.03 -2.55 -0.04 0.00 0.06 0.00 0.00 34.95 32.38 1ie6 s ARG 9 CO 0.09 -0.78 -0.15 0.00 -2.50 0.00 0.00 175.30 171.96 1ie6 h LYS 11 N 3.06 0.00 -3.37 0.00 3.64 -1.93 -3.44 116.57 114.52 1ie6 h LYS 11 Ca -0.40 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.80 1ie6 h LYS 11 Cb 1.21 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.77 1ie6 h LYS 11 CO 0.55 0.05 -0.53 0.00 -2.27 0.00 0.00 179.45 177.26 1ie6 s ALA 12 N -3.25 -0.38 0.52 5.00 0.00 -1.26 -4.93 121.76 117.46 1ie6 s ALA 12 Ca 0.02 0.38 0.38 0.00 0.00 0.00 0.00 51.96 52.75 1ie6 s ALA 12 Cb 0.08 -0.22 1.55 0.00 0.00 0.00 0.00 23.12 24.53 1ie6 s ALA 12 CO 0.74 -0.09 1.71 -0.44 0.00 0.00 0.00 175.76 177.68 1ie6 h ASP 13 N 5.73 0.08 0.89 0.00 5.19 -1.88 0.78 116.42 127.20 1ie6 h ASP 13 Ca -0.26 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1ie6 h ASP 13 Cb 1.20 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1ie6 h ASP 13 CO 0.41 -0.02 -0.99 0.59 -3.12 0.00 0.00 179.24 176.11 1ie6 n ASN 14 N -4.22 0.78 0.10 6.45 4.13 -1.26 -2.95 115.26 118.28 1ie6 n ASN 14 Ca 0.33 0.24 0.20 0.00 1.68 0.00 0.00 54.58 57.03 1ie6 n ASN 14 Cb 1.48 0.49 0.72 0.00 -1.54 0.00 0.00 39.78 40.93 1ie6 n ASN 14 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 1ie6 h ASP 15 N 0.00 0.00 -4.39 6.41 1.82 0.20 -3.41 116.42 117.05 1ie6 h ASP 15 Ca 0.00 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.14 1ie6 h ASP 15 Cb 0.94 0.00 0.08 0.00 0.68 0.00 0.00 39.33 41.02 1ie6 h ASP 15 CO 0.00 0.00 0.40 0.00 -1.61 0.00 0.00 179.24 178.03 1ie6 n GLY 18 N 1.10 -0.12 2.84 0.00 0.00 -1.26 -4.95 105.19 102.80 1ie6 n GLY 18 Ca 0.18 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 1ie6 n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ie6 n LYS 19 N -0.40 -1.77 -3.28 1.61 5.02 -1.12 -4.85 118.16 113.37 1ie6 n LYS 19 Ca 0.05 0.80 -0.25 0.00 -2.02 0.00 0.00 58.31 56.89 1ie6 n LYS 19 Cb 0.27 -5.24 -0.07 0.00 -0.02 0.00 0.00 35.03 29.97 1ie6 n LYS 19 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ie6 n LYS 20 N -0.40 1.77 -2.61 1.97 2.85 -1.22 -4.60 118.16 115.91 1ie6 n LYS 20 Ca -0.08 -4.03 -0.43 0.00 -1.05 0.00 0.00 58.31 52.72 1ie6 n LYS 20 Cb 0.57 -1.81 -0.02 0.00 -0.65 0.00 0.00 35.03 33.13 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 3.98 4.57 0.36 0.00 2.20 0.42 -4.26 119.74 127.01 1ie6 s LYS 22 Ca 0.47 1.36 0.02 0.00 -0.36 0.00 0.00 55.97 57.46 1ie6 s LYS 22 Cb -0.11 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1ie6 s LYS 22 CO 0.22 0.26 0.08 2.89 -0.36 0.00 0.00 175.35 178.44 1ie6 n ARG 23 N 0.57 0.75 -2.70 4.03 -4.01 -1.26 0.28 116.66 114.33 1ie6 n ARG 23 Ca 0.02 -2.90 -0.07 0.00 -1.04 0.00 0.00 57.85 53.86 1ie6 n ARG 23 Cb 0.50 1.32 0.11 0.00 -3.04 0.00 0.00 32.46 31.35 1ie6 n ARG 23 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1ie6 n ARG 24 N -0.84 1.14 0.00 2.89 5.12 -1.26 -4.80 116.66 118.90 1ie6 n ARG 24 Ca -0.09 -1.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.10 1ie6 n ARG 24 Cb 0.51 -0.03 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 1ie6 n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ie6 n GLY 25 N -0.62 3.03 4.16 -0.13 0.00 -1.26 -5.00 105.19 105.37 1ie6 n GLY 25 Ca -0.05 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.50 -1.16 -0.19 2.61 5.66 -1.26 -4.56 114.28 114.89 1ie6 n THR 26 Ca 0.00 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1ie6 n THR 26 Cb 0.00 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 1ie6 n THR 26 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ie6 n ASN 27 N -2.51 -0.01 0.00 1.09 3.02 -1.26 -4.84 115.26 110.75 1ie6 n ASN 27 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1ie6 n ASN 27 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ie6 n ALA 28 N 2.91 0.00 -3.48 5.41 0.00 -1.26 -4.73 120.51 119.36 1ie6 n ALA 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ie6 n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ie6 n ALA 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ie6 s GLU 29 N 0.00 1.01 0.01 0.00 4.04 -1.26 -4.62 118.70 117.88 1ie6 s GLU 29 Ca 0.00 -0.22 -0.00 0.00 0.04 0.00 0.00 54.97 54.79 1ie6 s GLU 29 Cb 0.00 0.47 -0.00 0.00 0.02 0.00 0.00 34.13 34.62 1ie6 s GLU 29 CO 0.00 -0.41 -0.00 1.63 -1.84 0.00 0.00 175.26 174.64 1ie6 n LYS 30 N 0.01 0.01 -4.45 -4.83 5.02 0.81 -4.71 118.16 110.02 1ie6 n LYS 30 Ca -0.14 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 1ie6 n LYS 30 Cb 0.62 -0.12 -0.14 0.00 -0.02 0.00 0.00 35.03 35.37 1ie6 n LYS 30 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ie6 s ARG 31 N -1.17 1.05 -0.71 1.97 3.52 0.21 -2.30 118.95 121.51 1ie6 s ARG 31 Ca -0.00 -0.77 -0.25 0.00 -0.13 0.00 0.00 55.73 54.58 1ie6 s ARG 31 Cb 0.00 -1.08 -0.13 0.00 -1.56 0.00 0.00 34.95 32.18 1ie6 s ARG 31 CO 0.00 0.27 2.41 0.00 -0.81 0.00 0.00 175.30 177.18