#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 1.23 -0.21 1.61 1.11 -1.26 -5.13 116.67 114.02 1ie6 s ASP 2 Ca 0.00 -0.01 -0.35 0.00 0.18 0.00 0.00 52.55 52.37 1ie6 s ASP 2 Cb 0.00 -0.28 0.15 0.00 1.07 0.00 0.00 42.92 43.85 1ie6 s ASP 2 CO 0.00 -0.20 1.24 0.00 1.18 0.00 0.00 175.17 177.38 1ie6 s LEU 4 N -2.03 3.62 0.00 0.00 1.43 0.85 -4.65 118.68 117.90 1ie6 s LEU 4 Ca 0.09 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.46 1ie6 s LEU 4 Cb -0.01 -3.34 0.30 0.00 0.03 0.00 0.00 46.19 43.17 1ie6 s LEU 4 CO -0.04 -0.69 0.91 -0.81 0.23 0.00 0.00 176.35 175.94 1ie6 n PRO 5 N -2.15 -3.50 -0.65 1.29 -0.04 -1.26 0.87 135.00 129.57 1ie6 n PRO 5 Ca 0.01 -1.48 -0.11 0.00 -0.04 0.00 0.00 63.50 61.88 1ie6 n PRO 5 Cb 0.57 -1.55 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 1ie6 n PRO 5 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1ie6 n HIS 6 N -4.94 1.60 -1.37 0.54 -0.00 -1.26 -4.09 115.22 105.70 1ie6 n HIS 6 Ca 0.13 -1.11 0.00 0.00 -0.00 0.00 0.00 57.72 56.74 1ie6 n HIS 6 Cb 0.53 -0.59 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 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 -0.29 0.00 -4.91 0.27 4.77 -0.84 -4.14 117.00 111.86 1ie6 n LEU 7 Ca 0.30 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 56.00 1ie6 n LEU 7 Cb 1.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.15 1ie6 n LEU 7 CO 0.31 0.12 0.25 -0.75 -1.33 0.00 0.00 177.39 175.99 1ie6 s LYS 8 N 0.00 3.62 0.54 3.23 2.47 -1.26 -4.42 119.74 123.93 1ie6 s LYS 8 Ca 0.00 0.03 -0.20 0.00 -1.56 0.00 0.00 55.97 54.24 1ie6 s LYS 8 Cb 0.00 -2.60 -0.07 0.00 -1.46 0.00 0.00 37.83 33.70 1ie6 s LYS 8 CO 0.00 0.14 0.89 -2.13 0.16 0.00 0.00 175.35 174.41 1ie6 n ARG 9 N -1.19 0.96 -4.86 4.03 3.00 -1.26 -1.14 116.66 116.21 1ie6 n ARG 9 Ca -0.01 0.36 -0.26 0.00 -0.00 0.00 0.00 57.85 57.94 1ie6 n ARG 9 Cb 0.54 -2.03 -0.16 0.00 0.00 0.00 0.00 32.46 30.82 1ie6 n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ie6 h LYS 11 N 5.96 0.00 -3.32 0.00 1.63 -1.94 -3.39 116.57 115.52 1ie6 h LYS 11 Ca -0.35 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.28 1ie6 h LYS 11 Cb 1.16 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.54 1ie6 h LYS 11 CO 0.48 0.00 -0.48 0.00 -3.45 0.00 0.00 179.45 176.00 1ie6 s ALA 12 N -3.22 -0.45 0.38 5.00 0.00 -1.26 -4.99 121.76 117.21 1ie6 s ALA 12 Ca 0.06 0.37 0.19 0.00 0.00 0.00 0.00 51.96 52.58 1ie6 s ALA 12 Cb 0.08 -0.19 1.15 0.00 0.00 0.00 0.00 23.12 24.15 1ie6 s ALA 12 CO 0.69 -0.13 1.70 -0.44 0.00 0.00 0.00 175.76 177.58 1ie6 h ASP 13 N 5.37 0.45 1.14 0.00 3.32 -1.88 0.33 116.42 125.15 1ie6 h ASP 13 Ca -0.27 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1ie6 h ASP 13 Cb 1.20 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1ie6 h ASP 13 CO 0.39 -0.05 -0.88 -0.55 -1.72 0.00 0.00 179.24 176.43 1ie6 h ASN 14 N 0.32 0.00 -1.64 6.45 7.08 -1.96 -3.01 115.58 122.82 1ie6 h ASN 14 Ca 0.70 0.00 0.48 0.00 -3.08 0.00 0.00 56.30 54.40 1ie6 h ASN 14 Cb 1.79 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 37.94 1ie6 h ASN 14 CO -0.45 0.15 1.16 -0.78 -2.08 0.00 0.00 177.43 175.43 1ie6 h ASP 15 N 0.00 0.05 -4.36 6.14 3.58 -0.72 -3.40 116.42 117.71 1ie6 h ASP 15 Ca -0.03 0.03 -0.50 0.00 0.42 0.00 0.00 57.03 56.94 1ie6 h ASP 15 Cb 1.14 0.02 0.08 0.00 1.72 0.00 0.00 39.33 42.30 1ie6 h ASP 15 CO 0.01 -0.03 0.39 0.00 -2.88 0.00 0.00 179.24 176.73 1ie6 n GLY 18 N 1.22 -1.31 2.65 0.00 0.00 -1.26 -4.88 105.19 101.61 1ie6 n GLY 18 Ca 0.05 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.43 -1.62 -3.31 1.61 5.02 -0.98 -4.86 118.16 112.59 1ie6 n LYS 19 Ca 0.07 0.94 -0.21 0.00 -2.02 0.00 0.00 58.31 57.09 1ie6 n LYS 19 Cb 0.33 -5.31 -0.08 0.00 -0.02 0.00 0.00 35.03 29.95 1ie6 n LYS 19 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ie6 s LYS 20 N -3.09 0.80 0.97 1.97 2.20 -1.18 -4.53 119.74 116.89 1ie6 s LYS 20 Ca 0.00 -1.50 -0.16 0.00 -0.36 0.00 0.00 55.97 53.95 1ie6 s LYS 20 Cb 0.00 -1.01 0.20 0.00 -1.51 0.00 0.00 37.83 35.51 1ie6 s LYS 20 CO 0.00 -1.30 1.31 0.00 -0.36 0.00 0.00 175.35 175.00 1ie6 s LYS 22 N -5.86 0.14 0.85 0.00 2.20 -0.68 -4.47 119.74 111.91 1ie6 s LYS 22 Ca 0.74 0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 56.77 1ie6 s LYS 22 Cb -0.04 -0.44 0.10 0.00 -1.51 0.00 0.00 37.83 35.94 1ie6 s LYS 22 CO 0.53 -0.41 1.13 0.50 -0.36 0.00 0.00 175.35 176.75 1ie6 s ARG 23 N 2.37 1.65 -0.64 4.03 3.52 -1.26 -2.66 118.95 125.95 1ie6 s ARG 23 Ca 0.04 0.34 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 1ie6 s ARG 23 Cb -0.13 -1.89 -0.11 0.00 -1.56 0.00 0.00 34.95 31.26 1ie6 s ARG 23 CO -0.09 -1.85 3.13 -2.13 -0.81 0.00 0.00 175.30 173.55 1ie6 n ARG 24 N -3.54 2.81 0.00 5.12 3.00 -1.26 -3.99 116.66 118.80 1ie6 n ARG 24 Ca 0.07 -1.88 0.00 0.00 -0.00 0.00 0.00 57.85 56.04 1ie6 n ARG 24 Cb 0.59 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.75 1ie6 n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ie6 n GLY 25 N 2.30 -2.04 2.61 5.14 0.00 -1.26 -5.02 105.19 106.91 1ie6 n GLY 25 Ca 0.55 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 47.09 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 -1.37 0.62 -1.97 2.61 5.66 -1.26 -5.10 114.28 113.47 1ie6 n THR 26 Ca 0.00 -2.93 0.00 0.00 -3.05 0.00 0.00 64.05 58.07 1ie6 n THR 26 Cb 0.00 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 -0.09 -9.68 0.00 1.09 5.15 -1.26 -4.86 115.26 105.61 1ie6 n ASN 27 Ca 0.09 1.41 0.00 0.00 -0.60 0.00 0.00 54.58 55.48 1ie6 n ASN 27 Cb 0.80 -5.30 0.00 0.00 -0.53 0.00 0.00 39.78 34.75 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 0.76 0.00 0.00 5.20 0.00 -1.26 -4.59 120.51 120.62 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 0.39 0.00 0.00 0.00 177.50 177.89 1ie6 n GLU 29 N 0.00 0.00 0.00 0.00 1.02 -1.26 -4.55 120.64 115.85 1ie6 n GLU 29 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ie6 n GLU 29 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ie6 n GLU 29 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ie6 n LYS 30 N 0.00 0.00 -5.23 3.49 4.76 -1.23 -4.54 118.16 115.41 1ie6 n LYS 30 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1ie6 n LYS 30 Cb 0.00 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.03 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 2.23 0.09 1.97 6.06 -1.09 -0.93 118.95 127.28 1ie6 s ARG 31 Ca 0.00 -0.88 -0.33 0.00 -2.50 0.00 0.00 55.73 52.01 1ie6 s ARG 31 Cb 0.00 -2.02 -0.13 0.00 0.06 0.00 0.00 34.95 32.86 1ie6 s ARG 31 CO 0.00 0.45 1.71 0.00 -2.50 0.00 0.00 175.30 174.96