#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a92 h ARG 13 N 0.00 0.65 -0.22 1.61 3.08 -2.05 0.87 114.38 118.32 1a92 h ARG 13 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1a92 h ARG 13 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1a92 h ARG 13 CO 0.00 0.43 -0.24 1.49 -1.07 0.00 0.00 179.97 180.58 1a92 h GLU 14 N 0.67 0.40 0.05 0.04 4.81 -2.05 0.58 114.58 119.07 1a92 h GLU 14 Ca 0.27 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1a92 h GLU 14 Cb 0.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1a92 h GLU 14 CO -0.08 0.62 -0.02 0.22 -0.73 0.00 0.00 179.01 179.01 1a92 h ASP 15 N 0.36 -0.06 -0.83 1.04 3.58 -1.35 -2.22 116.42 116.94 1a92 h ASP 15 Ca 0.06 -0.36 0.07 0.00 0.42 0.00 0.00 57.03 57.22 1a92 h ASP 15 Cb 0.61 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1a92 h ASP 15 CO 0.04 0.34 0.54 0.40 -2.88 0.00 0.00 179.24 177.68 1a92 h ILE 16 N -0.46 1.03 -0.44 2.25 1.08 -0.94 -1.23 117.51 118.80 1a92 h ILE 16 Ca -0.01 -0.30 -0.10 0.00 -0.39 0.00 0.00 64.86 64.06 1a92 h ILE 16 Cb 0.42 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1a92 h ILE 16 CO 0.01 0.16 -0.12 0.25 -0.69 0.00 0.00 178.15 177.77 1a92 h LEU 17 N 0.89 0.79 -0.45 1.44 5.85 -0.80 -0.56 115.31 122.48 1a92 h LEU 17 Ca 0.36 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1a92 h LEU 17 Cb 0.27 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1a92 h LEU 17 CO -0.13 0.93 0.16 -0.33 -0.34 0.00 0.00 178.44 178.73 1a92 h GLU 18 N 0.72 0.68 -0.44 1.25 5.08 -0.62 0.16 114.58 121.41 1a92 h GLU 18 Ca 0.12 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a92 h GLU 18 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1a92 h GLU 18 CO 0.04 0.64 0.26 1.96 -1.00 0.00 0.00 179.01 180.90 1a92 h GLN 19 N 0.58 0.60 -0.15 2.33 4.20 -1.11 0.73 115.11 122.29 1a92 h GLN 19 Ca 0.15 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1a92 h GLN 19 Cb 0.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1a92 h GLN 19 CO -0.01 0.45 -0.01 2.35 -0.67 0.00 0.00 178.83 180.94 1a92 h TRP 20 N 0.58 0.31 -0.40 2.96 7.01 -0.85 -0.37 115.95 125.18 1a92 h TRP 20 Ca 0.16 -0.06 -0.12 0.00 2.11 0.00 0.00 58.89 60.98 1a92 h TRP 20 Cb 0.01 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1a92 h TRP 20 CO -0.03 0.51 -0.23 0.28 -2.79 0.00 0.00 178.44 176.19 1a92 h VAL 21 N 0.01 1.27 -0.42 2.65 2.07 -0.60 -0.71 116.25 120.52 1a92 h VAL 21 Ca 0.04 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.10 1a92 h VAL 21 Cb 0.40 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1a92 h VAL 21 CO 0.01 0.45 -0.21 0.28 0.02 0.00 0.00 177.57 178.12 1a92 h SER 22 N 0.69 0.85 -0.44 0.57 0.02 -0.84 -0.93 113.55 113.47 1a92 h SER 22 Ca 0.09 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.67 1a92 h SER 22 Cb 0.74 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1a92 h SER 22 CO 0.06 1.04 0.03 1.23 -1.14 0.00 0.00 176.83 178.05 1a92 h GLY 23 N 0.94 0.81 1.05 -3.77 0.00 -0.80 -0.85 103.07 100.45 1a92 h GLY 23 Ca 0.10 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1a92 h GLY 23 CO 0.06 0.53 0.15 3.21 0.00 0.00 0.00 176.54 180.49 1a92 h ARG 24 N 0.60 1.06 0.06 4.80 2.47 -0.97 0.23 114.38 122.63 1a92 h ARG 24 Ca 0.13 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1a92 h ARG 24 Cb 0.44 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1a92 h ARG 24 CO 0.02 0.96 -0.03 -0.22 0.56 0.00 0.00 179.97 181.25 1a92 h LYS 25 N 0.99 -0.07 -0.66 0.04 3.64 -1.03 -0.48 116.57 119.00 1a92 h LYS 25 Ca 0.21 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1a92 h LYS 25 Cb 0.38 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1a92 h LYS 25 CO 0.00 -0.01 0.42 -0.22 -2.27 0.00 0.00 179.45 177.38 1a92 h LYS 26 N -0.12 0.83 -0.66 1.90 1.63 -0.90 -2.21 116.57 117.04 1a92 h LYS 26 Ca -0.01 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1a92 h LYS 26 Cb 0.10 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 1a92 h LYS 26 CO 0.01 0.55 0.40 1.25 -3.45 0.00 0.00 179.45 178.21 1a92 h LEU 27 N 0.85 0.63 -1.14 5.20 5.85 -0.16 0.78 115.31 127.33 1a92 h LEU 27 Ca 0.25 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1a92 h LEU 27 Cb -0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1a92 h LEU 27 CO -0.07 0.43 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.06 1a92 h GLU 28 N 0.76 0.53 -0.21 1.25 5.08 -0.67 -0.13 114.58 121.19 1a92 h GLU 28 Ca 0.27 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1a92 h GLU 28 Cb 0.07 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1a92 h GLU 28 CO -0.13 0.60 -0.41 0.93 -1.00 0.00 0.00 179.01 179.01 1a92 h GLU 29 N 0.50 0.65 -0.86 2.33 5.08 -0.73 -1.24 114.58 120.31 1a92 h GLU 29 Ca 0.10 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1a92 h GLU 29 Cb 0.42 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1a92 h GLU 29 CO 0.02 1.03 0.45 -0.07 -1.00 0.00 0.00 179.01 179.44 1a92 h LEU 30 N 0.34 1.09 -0.52 1.33 3.38 -0.59 0.70 115.31 121.04 1a92 h LEU 30 Ca 0.01 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1a92 h LEU 30 Cb 1.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1a92 h LEU 30 CO 0.09 0.89 -0.22 -0.33 0.09 0.00 0.00 178.44 178.96 1a92 h GLU 31 N 1.20 0.97 -0.14 1.13 5.08 -0.94 0.36 114.58 122.24 1a92 h GLU 31 Ca 0.30 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1a92 h GLU 31 Cb 0.06 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1a92 h GLU 31 CO -0.04 1.08 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.91 1a92 h ARG 32 N 0.83 0.28 -0.24 2.33 2.43 -0.88 -0.92 114.38 118.21 1a92 h ARG 32 Ca 0.11 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1a92 h ARG 32 Cb 0.79 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1a92 h ARG 32 CO 0.07 0.59 0.01 -0.44 -1.51 0.00 0.00 179.97 178.69 1a92 h ASP 33 N -0.04 -0.07 -0.21 -3.80 5.19 -0.76 -0.24 116.42 116.49 1a92 h ASP 33 Ca 0.03 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1a92 h ASP 33 Cb 0.49 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.06 1a92 h ASP 33 CO 0.02 -0.00 0.01 0.25 -3.12 0.00 0.00 179.24 176.40 1a92 h LEU 34 N 0.09 -0.05 -0.43 1.55 5.85 -0.87 0.21 115.31 121.65 1a92 h LEU 34 Ca 0.11 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1a92 h LEU 34 Cb 0.14 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1a92 h LEU 34 CO -0.18 0.00 0.05 -0.09 -0.34 0.00 0.00 178.44 177.88 1a92 h ARG 35 N 0.08 0.17 0.07 1.25 2.43 -0.68 0.12 114.38 117.82 1a92 h ARG 35 Ca 0.10 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1a92 h ARG 35 Cb 0.11 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1a92 h ARG 35 CO -0.15 0.11 -0.04 0.87 -1.51 0.00 0.00 179.97 179.25 1a92 h LYS 36 N 0.17 -0.10 -0.57 0.20 1.57 -0.57 -2.95 116.57 114.32 1a92 h LYS 36 Ca 0.21 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1a92 h LYS 36 Cb 0.29 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1a92 h LYS 36 CO -0.31 0.10 0.26 1.25 -0.57 0.00 0.00 179.45 180.18 1a92 h LEU 37 N -0.28 0.73 -0.97 2.94 5.85 -0.69 -1.28 115.31 121.60 1a92 h LEU 37 Ca -0.01 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1a92 h LEU 37 Cb 0.24 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1a92 h LEU 37 CO 0.02 0.63 0.15 0.11 -0.34 0.00 0.00 178.44 179.01 1a92 h LYS 38 N 0.80 0.90 -0.37 1.25 1.57 -0.96 -0.28 116.57 119.48 1a92 h LYS 38 Ca 0.20 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1a92 h LYS 38 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1a92 h LYS 38 CO -0.02 0.80 -0.40 0.87 -0.57 0.00 0.00 179.45 180.13 1a92 h LYS 39 N 0.87 0.91 -0.67 3.15 1.57 -1.21 -1.18 116.57 120.01 1a92 h LYS 39 Ca 0.19 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1a92 h LYS 39 Cb 0.29 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1a92 h LYS 39 CO -0.00 1.14 0.28 -0.22 -0.57 0.00 0.00 179.45 180.08 1a92 h LYS 40 N 0.74 0.99 -0.31 3.15 3.64 -0.78 -0.73 116.57 123.27 1a92 h LYS 40 Ca 0.06 -0.17 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 1a92 h LYS 40 Cb 0.99 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1a92 h LYS 40 CO 0.10 0.81 -0.50 0.82 -2.27 0.00 0.00 179.45 178.41 1a92 h ILE 41 N 0.94 1.27 -0.73 2.00 1.08 -1.03 -1.05 117.51 120.00 1a92 h ILE 41 Ca 0.23 -1.68 -0.02 0.00 -0.39 0.00 0.00 64.86 62.99 1a92 h ILE 41 Cb 0.18 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.48 1a92 h ILE 41 CO -0.02 0.55 0.38 0.50 -0.69 0.00 0.00 178.15 178.88 1a92 h LYS 42 N 0.68 1.02 -0.28 2.37 3.64 -1.02 -0.98 116.57 122.00 1a92 h LYS 42 Ca 0.02 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1a92 h LYS 42 Cb 1.11 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1a92 h LYS 42 CO 0.12 0.77 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.82 1a92 h LYS 43 N 1.00 0.52 -0.66 1.90 3.64 -1.06 -0.79 116.57 121.13 1a92 h LYS 43 Ca 0.25 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1a92 h LYS 43 Cb 0.06 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1a92 h LYS 43 CO -0.04 0.69 0.32 1.25 -2.27 0.00 0.00 179.45 179.41 1a92 h LEU 44 N 0.29 0.43 -0.70 5.20 5.85 -0.85 0.67 115.31 126.21 1a92 h LEU 44 Ca 0.08 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1a92 h LEU 44 Cb 0.48 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1a92 h LEU 44 CO 0.02 0.26 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.74 1a92 h GLU 45 N 0.58 0.65 -0.37 1.25 5.08 -0.97 -0.06 114.58 120.74 1a92 h GLU 45 Ca 0.31 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1a92 h GLU 45 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1a92 h GLU 45 CO -0.24 0.89 -0.18 0.93 -1.00 0.00 0.00 179.01 179.40 1a92 h GLU 46 N 0.56 0.78 0.00 2.33 5.08 -0.40 -3.14 114.58 119.79 1a92 h GLU 46 Ca 0.06 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1a92 h GLU 46 Cb 0.82 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1a92 h GLU 46 CO 0.07 0.97 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.57 1a92 h ASP 47 N 0.58 0.00 -2.48 1.42 3.32 -0.81 -3.37 116.42 115.08 1a92 h ASP 47 Ca 0.08 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.54 1a92 h ASP 47 Cb 0.73 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.89 1a92 h ASP 47 CO 0.06 0.03 -0.83 0.59 -1.72 0.00 0.00 179.24 177.36 1a92 n ASN 48 N -3.11 1.22 0.15 6.45 3.02 -0.04 -4.97 115.26 117.97 1a92 n ASN 48 Ca 0.03 -2.82 0.19 0.00 -0.03 0.00 0.00 54.58 51.95 1a92 n ASN 48 Cb 0.49 -0.64 0.77 0.00 -0.61 0.00 0.00 39.78 39.79 1a92 n ASN 48 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1a92 h PRO 49 N 5.06 0.00 0.00 3.52 0.11 -1.72 -0.54 132.00 138.43 1a92 h PRO 49 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1a92 h PRO 49 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1a92 h PRO 49 CO 0.55 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.67 1a92 n TRP 50 N -3.57 0.71 0.31 0.65 4.27 -1.26 -1.07 117.44 117.48 1a92 n TRP 50 Ca 0.05 0.33 0.16 0.00 -3.89 0.00 0.00 57.50 54.16 1a92 n TRP 50 Cb 0.55 -1.03 0.74 0.00 -1.36 0.00 0.00 31.31 30.20 1a92 n TRP 50 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1a92 h LEU 51 N 0.00 0.00 -0.66 5.67 3.38 -1.41 -1.58 115.31 120.71 1a92 h LEU 51 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1a92 h LEU 51 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1a92 h LEU 51 CO 0.00 0.00 -0.17 1.23 0.09 0.00 0.00 178.44 179.59 1a92 h GLY 52 N 1.47 0.94 1.13 0.83 0.00 -1.32 -0.74 103.07 105.37 1a92 h GLY 52 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.44 1a92 h GLY 52 CO 0.00 0.71 -0.11 3.43 0.00 0.00 0.00 176.54 180.57 1a92 h ASN 53 N 0.76 1.02 -0.59 0.19 2.35 -1.46 -1.29 115.58 116.56 1a92 h ASN 53 Ca 0.11 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 1a92 h ASN 53 Cb 0.70 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 1a92 h ASN 53 CO 0.05 1.13 0.30 0.40 -1.65 0.00 0.00 177.43 177.67 1a92 h ILE 54 N 0.90 1.20 -0.87 2.81 1.08 -1.30 -1.23 117.51 120.10 1a92 h ILE 54 Ca 0.14 -0.54 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1a92 h ILE 54 Cb 0.68 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 1a92 h ILE 54 CO 0.05 0.22 0.52 0.11 -0.69 0.00 0.00 178.15 178.36 1a92 h LYS 55 N 0.80 1.19 -0.81 2.37 1.57 -0.86 -0.57 116.57 120.27 1a92 h LYS 55 Ca 0.21 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1a92 h LYS 55 Cb 0.08 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 1a92 h LYS 55 CO -0.03 0.84 0.37 0.78 -0.57 0.00 0.00 179.45 180.85 1a92 h GLY 56 N 1.20 1.25 0.86 3.86 0.00 -0.70 0.03 103.07 109.58 1a92 h GLY 56 Ca 0.31 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1a92 h GLY 56 CO -0.06 0.60 -0.08 -2.22 0.00 0.00 0.00 176.54 174.78 1a92 h ILE 57 N 1.16 1.29 -0.67 2.60 2.04 -0.63 0.11 117.51 123.40 1a92 h ILE 57 Ca 0.28 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1a92 h ILE 57 Cb 0.13 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1a92 h ILE 57 CO -0.03 0.35 0.38 0.40 0.00 0.00 0.00 178.15 179.24 1a92 h ILE 58 N 0.25 1.21 -0.20 -0.67 2.04 -0.94 -2.71 117.51 116.49 1a92 h ILE 58 Ca 0.06 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1a92 h ILE 58 Cb 0.56 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1a92 h ILE 58 CO 0.03 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.01 1a92 n GLY 59 N -1.09 0.42 3.72 5.37 0.00 -0.02 -4.96 105.19 108.63 1a92 n GLY 59 Ca 0.05 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1a92 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a92 n LYS 60 N 0.42 -5.76 0.00 1.61 5.02 0.02 -5.02 118.16 114.45 1a92 n LYS 60 Ca 0.16 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1a92 n LYS 60 Cb 0.35 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 1a92 n LYS 60 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36