#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 -0.61 0.42 1.61 2.15 -1.26 -5.16 116.67 113.81 1ie6 s ASP 2 Ca 0.00 0.86 -0.12 0.00 0.43 0.00 0.00 52.55 53.72 1ie6 s ASP 2 Cb 0.00 1.66 -0.07 0.00 -0.30 0.00 0.00 42.92 44.21 1ie6 s ASP 2 CO 0.00 -0.12 0.81 0.00 -0.17 0.00 0.00 175.17 175.69 1ie6 s LEU 4 N -3.83 3.24 1.32 0.00 1.43 0.72 -4.49 118.68 117.07 1ie6 s LEU 4 Ca 0.53 0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 54.29 1ie6 s LEU 4 Cb -0.10 -3.73 0.33 0.00 0.03 0.00 0.00 46.19 42.72 1ie6 s LEU 4 CO 0.30 -1.02 1.01 -2.16 0.23 0.00 0.00 176.35 174.71 1ie6 s PRO 5 N -5.03 -2.17 -0.24 1.29 0.04 -1.26 0.32 135.00 127.94 1ie6 s PRO 5 Ca 0.54 0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.68 1ie6 s PRO 5 Cb -0.11 -1.47 0.38 0.00 0.04 0.00 0.00 34.50 33.34 1ie6 s PRO 5 CO 0.47 -4.36 1.49 1.58 0.04 0.00 0.00 177.00 176.22 1ie6 n HIS 6 N -5.25 1.68 -1.87 0.56 -0.00 -1.26 -3.98 115.22 105.10 1ie6 n HIS 6 Ca 0.12 -1.20 0.00 0.00 -0.00 0.00 0.00 57.72 56.65 1ie6 n HIS 6 Cb 0.60 -0.62 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 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 -0.37 0.00 -4.57 0.27 4.77 -0.95 -4.13 117.00 112.03 1ie6 n LEU 7 Ca 0.32 -0.63 -0.27 0.00 -0.03 0.00 0.00 56.01 55.40 1ie6 n LEU 7 Cb 1.13 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.13 1ie6 n LEU 7 CO 0.33 0.66 -0.41 -0.75 -1.33 0.00 0.00 177.39 175.89 1ie6 s LYS 8 N 0.00 2.05 0.33 3.23 2.20 -1.26 -4.67 119.74 121.63 1ie6 s LYS 8 Ca 0.00 -1.24 -0.26 0.00 -0.36 0.00 0.00 55.97 54.11 1ie6 s LYS 8 Cb 0.00 -2.17 -0.14 0.00 -1.51 0.00 0.00 37.83 34.01 1ie6 s LYS 8 CO 0.00 0.44 0.76 -2.13 -0.36 0.00 0.00 175.35 174.07 1ie6 n ARG 9 N 0.13 0.85 -4.50 4.03 0.00 -1.26 -0.54 116.66 115.36 1ie6 n ARG 9 Ca -0.11 0.30 -0.23 0.00 -0.00 0.00 0.00 57.85 57.81 1ie6 n ARG 9 Cb 0.55 -1.60 -0.16 0.00 0.00 0.00 0.00 32.46 31.25 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 3.79 0.30 -3.68 0.00 5.02 -1.26 -3.68 118.16 118.64 1ie6 n LYS 11 Ca -0.23 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 55.89 1ie6 n LYS 11 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1ie6 n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ie6 s ALA 12 N -2.73 -0.94 0.16 7.82 0.00 -1.26 -4.72 121.76 120.08 1ie6 s ALA 12 Ca 0.22 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 1ie6 s ALA 12 Cb 0.20 0.34 0.07 0.00 0.00 0.00 0.00 23.12 23.72 1ie6 s ALA 12 CO 0.51 -0.45 1.73 -0.44 0.00 0.00 0.00 175.76 177.11 1ie6 h ASP 13 N 3.06 0.01 -0.83 0.00 3.32 -1.89 -2.23 116.42 117.86 1ie6 h ASP 13 Ca -0.31 0.06 -0.44 0.00 0.02 0.00 0.00 57.03 56.36 1ie6 h ASP 13 Cb 1.20 0.08 -0.17 0.00 0.22 0.00 0.00 39.33 40.66 1ie6 h ASP 13 CO 0.44 0.04 0.43 -3.20 -1.72 0.00 0.00 179.24 175.23 1ie6 n ASN 14 N -5.09 6.54 -0.03 6.45 2.85 -1.26 -3.10 115.26 121.62 1ie6 n ASN 14 Ca 0.01 -3.18 0.00 0.00 -0.11 0.00 0.00 54.58 51.30 1ie6 n ASN 14 Cb 0.16 -1.15 -0.08 0.00 1.24 0.00 0.00 39.78 39.95 1ie6 n ASN 14 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ie6 n ASP 15 N 0.56 2.56 -4.87 1.20 9.92 -0.84 -4.96 116.55 120.11 1ie6 n ASP 15 Ca 0.42 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.39 1ie6 n ASP 15 Cb 0.57 1.12 0.10 0.00 -0.64 0.00 0.00 41.12 42.27 1ie6 n ASP 15 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ie6 n GLY 18 N 1.49 -0.34 2.50 0.00 0.00 -1.26 -4.93 105.19 102.64 1ie6 n GLY 18 Ca 0.07 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.54 -1.21 -3.26 1.61 4.81 -1.15 -4.89 118.16 113.54 1ie6 n LYS 19 Ca 0.08 1.10 -0.25 0.00 -0.87 0.00 0.00 58.31 58.37 1ie6 n LYS 19 Cb 0.42 -5.34 -0.07 0.00 0.02 0.00 0.00 35.03 30.06 1ie6 n LYS 19 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ie6 n LYS 20 N -2.50 1.29 -2.62 1.64 4.81 -1.25 -4.70 118.16 114.83 1ie6 n LYS 20 Ca -0.17 -3.68 -0.41 0.00 -0.87 0.00 0.00 58.31 53.18 1ie6 n LYS 20 Cb 0.57 -1.55 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 1ie6 n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ie6 s LYS 22 N -0.08 2.54 0.19 0.00 2.36 0.16 -4.52 119.74 120.38 1ie6 s LYS 22 Ca 0.49 0.41 -0.05 0.00 -2.55 0.00 0.00 55.97 54.27 1ie6 s LYS 22 Cb -0.26 -1.99 0.02 0.00 -1.05 0.00 0.00 37.83 34.55 1ie6 s LYS 22 CO 0.32 -1.25 0.35 2.89 1.55 0.00 0.00 175.35 179.20 1ie6 n ARG 23 N -3.14 0.50 -2.03 4.03 0.00 -1.26 0.28 116.66 115.03 1ie6 n ARG 23 Ca 0.07 -1.17 -0.38 0.00 -0.00 0.00 0.00 57.85 56.36 1ie6 n ARG 23 Cb 0.58 1.35 0.02 0.00 -0.00 0.00 0.00 32.46 34.41 1ie6 n ARG 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1ie6 n ARG 24 N -0.27 3.42 0.00 2.89 -4.01 -1.26 -4.84 116.66 112.60 1ie6 n ARG 24 Ca -0.03 -3.62 0.00 0.00 -1.04 0.00 0.00 57.85 53.16 1ie6 n ARG 24 Cb 0.29 -2.32 0.00 0.00 -3.04 0.00 0.00 32.46 27.39 1ie6 n ARG 24 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1ie6 n GLY 25 N -0.12 -1.21 2.67 2.89 0.00 -1.26 -5.05 105.19 103.12 1ie6 n GLY 25 Ca 0.52 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.76 1ie6 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ie6 s THR 26 N 0.00 1.39 0.17 2.61 -4.23 -1.26 -5.02 115.64 109.31 1ie6 s THR 26 Ca 0.00 -2.80 0.00 0.00 -1.18 0.00 0.00 61.69 57.71 1ie6 s THR 26 Cb 0.00 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1ie6 s THR 26 CO 0.00 -0.98 0.00 0.59 -0.54 0.00 0.00 174.62 173.69 1ie6 n ASN 27 N 3.20 -7.95 0.14 3.99 4.13 -1.26 -5.03 115.26 112.48 1ie6 n ASN 27 Ca 0.14 1.40 0.00 0.00 1.68 0.00 0.00 54.58 57.81 1ie6 n ASN 27 Cb 0.37 -4.71 0.00 0.00 -1.54 0.00 0.00 39.78 33.90 1ie6 n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ie6 n ALA 28 N 1.92 0.10 0.00 5.41 0.00 -1.26 -4.97 120.51 121.71 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 -3.07 0.00 0.00 0.00 0.28 -1.24 -3.84 120.64 112.77 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 -3.71 3.44 4.01 0.81 -4.43 118.16 118.27 1ie6 n LYS 30 Ca 0.00 0.06 -0.14 0.00 -0.51 0.00 0.00 58.31 57.72 1ie6 n LYS 30 Cb 0.00 -0.40 -0.09 0.00 -0.51 0.00 0.00 35.03 34.03 1ie6 n LYS 30 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1ie6 s ARG 31 N -0.61 0.58 -0.18 1.97 0.52 -0.98 -2.59 118.95 117.66 1ie6 s ARG 31 Ca 0.00 0.44 -0.33 0.00 -0.52 0.00 0.00 55.73 55.32 1ie6 s ARG 31 Cb 0.00 0.28 -0.11 0.00 0.52 0.00 0.00 34.95 35.64 1ie6 s ARG 31 CO 0.00 -0.10 2.02 0.00 0.02 0.00 0.00 175.30 177.24