#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 0.88 -0.34 1.61 3.08 -2.05 -0.29 114.38 117.26 1a92 h ARG 13 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1a92 h ARG 13 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1a92 h ARG 13 CO 0.00 0.58 0.20 1.49 -1.07 0.00 0.00 179.97 181.17 1a92 h GLU 14 N 0.91 0.48 -0.23 0.04 4.57 -2.05 0.12 114.58 118.41 1a92 h GLU 14 Ca 0.26 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1a92 h GLU 14 Cb -0.07 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1a92 h GLU 14 CO -0.06 0.38 0.10 0.22 -1.18 0.00 0.00 179.01 178.48 1a92 h ASP 15 N 0.44 0.31 -0.75 1.04 3.58 -1.76 -0.75 116.42 118.52 1a92 h ASP 15 Ca 0.12 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.46 1a92 h ASP 15 Cb 0.04 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 1a92 h ASP 15 CO -0.02 0.37 0.48 0.40 -2.88 0.00 0.00 179.24 177.59 1a92 h ILE 16 N 0.23 1.12 -0.64 2.25 1.08 -0.81 -1.20 117.51 119.54 1a92 h ILE 16 Ca 0.08 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1a92 h ILE 16 Cb 0.15 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 1a92 h ILE 16 CO -0.01 0.17 0.39 0.25 -0.69 0.00 0.00 178.15 178.26 1a92 h LEU 17 N 0.94 0.76 -0.45 1.44 5.85 -0.45 -0.74 115.31 122.66 1a92 h LEU 17 Ca 0.30 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1a92 h LEU 17 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1a92 h LEU 17 CO -0.11 0.60 0.29 -0.08 -0.34 0.00 0.00 178.44 178.80 1a92 h GLU 18 N 0.87 0.57 -0.26 1.25 4.22 -0.51 0.15 114.58 120.86 1a92 h GLU 18 Ca 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.63 1a92 h GLU 18 Cb -0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1a92 h GLU 18 CO -0.04 0.37 0.14 1.96 -2.18 0.00 0.00 179.01 179.26 1a92 h GLN 19 N 0.58 0.37 -0.02 1.92 4.20 -0.86 0.19 115.11 121.49 1a92 h GLN 19 Ca 0.17 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1a92 h GLN 19 Cb -0.04 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1a92 h GLN 19 CO -0.06 0.33 0.00 2.35 -0.67 0.00 0.00 178.83 180.79 1a92 h TRP 20 N 0.31 0.04 -0.52 2.96 7.01 -0.93 0.15 115.95 124.98 1a92 h TRP 20 Ca 0.09 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1a92 h TRP 20 Cb 0.07 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1a92 h TRP 20 CO -0.03 0.31 0.20 0.28 -2.79 0.00 0.00 178.44 176.40 1a92 h VAL 21 N -0.24 1.22 -0.61 2.65 2.07 -0.67 0.22 116.25 120.89 1a92 h VAL 21 Ca 0.01 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1a92 h VAL 21 Cb 0.29 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1a92 h VAL 21 CO 0.00 0.26 0.10 0.28 0.02 0.00 0.00 177.57 178.23 1a92 h SER 22 N 0.70 0.97 -0.56 0.57 0.02 -0.95 0.33 113.55 114.63 1a92 h SER 22 Ca 0.17 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1a92 h SER 22 Cb 0.21 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1a92 h SER 22 CO -0.01 0.99 0.04 1.23 -1.14 0.00 0.00 176.83 177.94 1a92 h GLY 23 N 0.92 1.07 1.27 -3.77 0.00 -0.33 0.24 103.07 102.48 1a92 h GLY 23 Ca 0.19 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1a92 h GLY 23 CO 0.01 0.68 -0.17 3.21 0.00 0.00 0.00 176.54 180.27 1a92 h ARG 24 N 0.92 0.84 -0.28 4.80 3.08 -0.24 0.26 114.38 123.76 1a92 h ARG 24 Ca 0.18 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1a92 h ARG 24 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1a92 h ARG 24 CO 0.02 0.95 0.01 -0.22 -1.07 0.00 0.00 179.97 179.66 1a92 h LYS 25 N 0.75 0.49 -0.38 0.04 3.64 -0.56 -1.65 116.57 118.90 1a92 h LYS 25 Ca 0.11 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1a92 h LYS 25 Cb 0.69 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1a92 h LYS 25 CO 0.05 0.64 0.21 -0.22 -2.27 0.00 0.00 179.45 177.86 1a92 h LYS 26 N 0.29 0.52 -0.60 1.90 1.63 -0.74 -2.35 116.57 117.21 1a92 h LYS 26 Ca 0.08 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 59.90 1a92 h LYS 26 Cb 0.41 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.88 1a92 h LYS 26 CO 0.01 0.42 0.28 1.25 -3.45 0.00 0.00 179.45 177.96 1a92 h LEU 27 N 0.48 0.35 -0.58 5.20 6.46 -0.35 -0.01 115.31 126.87 1a92 h LEU 27 Ca 0.13 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1a92 h LEU 27 Cb 0.05 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1a92 h LEU 27 CO -0.02 0.22 0.36 -0.33 -0.62 0.00 0.00 178.44 178.06 1a92 h GLU 28 N 0.51 0.78 -0.05 1.25 5.08 -1.01 -1.19 114.58 119.95 1a92 h GLU 28 Ca 0.29 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 1a92 h GLU 28 Cb 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1a92 h GLU 28 CO -0.23 0.54 -0.65 1.05 -1.00 0.00 0.00 179.01 178.72 1a92 h GLU 29 N 0.78 0.19 -0.65 2.33 4.11 -0.85 -1.63 114.58 118.86 1a92 h GLU 29 Ca 0.21 -0.14 -0.09 0.00 0.07 0.00 0.00 59.36 59.41 1a92 h GLU 29 Cb -0.05 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1a92 h GLU 29 CO -0.04 0.77 0.06 -0.07 0.07 0.00 0.00 179.01 179.80 1a92 h LEU 30 N 0.13 1.06 -0.67 3.06 3.38 -0.72 0.90 115.31 122.45 1a92 h LEU 30 Ca -0.01 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 1a92 h LEU 30 Cb 1.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1a92 h LEU 30 CO 0.10 1.08 -0.36 -0.33 0.09 0.00 0.00 178.44 179.02 1a92 h GLU 31 N 1.01 0.63 0.28 1.13 5.08 -1.12 0.10 114.58 121.69 1a92 h GLU 31 Ca 0.19 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1a92 h GLU 31 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1a92 h GLU 31 CO 0.02 0.90 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.70 1a92 h ARG 32 N 0.53 -0.36 -0.93 2.33 2.43 -0.98 0.09 114.38 117.49 1a92 h ARG 32 Ca 0.05 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1a92 h ARG 32 Cb 0.86 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.44 1a92 h ARG 32 CO 0.07 -0.10 0.60 -0.44 -1.51 0.00 0.00 179.97 178.59 1a92 h ASP 33 N -0.58 0.98 -0.61 -3.80 3.32 -0.74 -0.56 116.42 114.44 1a92 h ASP 33 Ca -0.04 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1a92 h ASP 33 Cb 0.42 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1a92 h ASP 33 CO 0.06 0.66 0.23 0.25 -1.72 0.00 0.00 179.24 178.72 1a92 h LEU 34 N 1.14 0.85 -0.38 1.55 5.85 -0.84 0.86 115.31 124.34 1a92 h LEU 34 Ca 0.38 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1a92 h LEU 34 Cb 0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1a92 h LEU 34 CO -0.14 0.80 0.15 0.03 -0.34 0.00 0.00 178.44 178.94 1a92 h ARG 35 N 0.85 0.57 -0.39 1.25 3.08 -0.04 -0.93 114.38 118.78 1a92 h ARG 35 Ca 0.20 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1a92 h ARG 35 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1a92 h ARG 35 CO -0.01 0.55 -0.00 0.87 -1.07 0.00 0.00 179.97 180.30 1a92 h LYS 36 N 0.47 0.69 -0.59 0.04 1.57 -0.88 -2.69 116.57 115.18 1a92 h LYS 36 Ca 0.13 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1a92 h LYS 36 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1a92 h LYS 36 CO -0.01 0.79 0.00 1.25 -0.57 0.00 0.00 179.45 180.91 1a92 h LEU 37 N 0.52 1.02 -1.01 2.94 5.85 -0.74 -1.21 115.31 122.67 1a92 h LEU 37 Ca 0.11 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1a92 h LEU 37 Cb 0.48 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1a92 h LEU 37 CO 0.02 1.07 0.47 0.11 -0.34 0.00 0.00 178.44 179.78 1a92 h LYS 38 N 0.93 1.16 -0.39 1.25 1.57 -1.15 0.23 116.57 120.17 1a92 h LYS 38 Ca 0.17 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1a92 h LYS 38 Cb 0.55 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1a92 h LYS 38 CO 0.03 0.84 0.06 0.87 -0.57 0.00 0.00 179.45 180.68 1a92 h LYS 39 N 1.17 0.65 -0.79 3.15 1.57 -1.12 -1.16 116.57 120.03 1a92 h LYS 39 Ca 0.30 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1a92 h LYS 39 Cb 0.01 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1a92 h LYS 39 CO -0.05 0.70 0.42 -0.22 -0.57 0.00 0.00 179.45 179.73 1a92 h LYS 40 N 0.50 1.11 -0.21 3.15 3.64 -0.52 -0.90 116.57 123.34 1a92 h LYS 40 Ca 0.12 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1a92 h LYS 40 Cb 0.37 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1a92 h LYS 40 CO 0.01 0.83 -0.26 0.82 -2.27 0.00 0.00 179.45 178.58 1a92 h ILE 41 N 1.10 1.33 -0.85 2.00 2.04 -0.86 -1.05 117.51 121.23 1a92 h ILE 41 Ca 0.28 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1a92 h ILE 41 Cb 0.05 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1a92 h ILE 41 CO -0.04 0.45 0.52 0.50 0.00 0.00 0.00 178.15 179.58 1a92 h LYS 42 N 0.23 1.14 -0.48 2.37 3.64 -1.05 -0.15 116.57 122.27 1a92 h LYS 42 Ca 0.03 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1a92 h LYS 42 Cb 0.83 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1a92 h LYS 42 CO 0.06 0.80 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.70 1a92 h LYS 43 N 1.16 0.88 -0.63 1.90 3.64 -1.11 -0.20 116.57 122.22 1a92 h LYS 43 Ca 0.31 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1a92 h LYS 43 Cb -0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1a92 h LYS 43 CO -0.06 0.95 0.33 1.25 -2.27 0.00 0.00 179.45 179.65 1a92 h LEU 44 N 0.79 0.81 -0.74 5.20 5.85 -0.54 0.16 115.31 126.83 1a92 h LEU 44 Ca 0.13 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1a92 h LEU 44 Cb 0.63 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1a92 h LEU 44 CO 0.04 0.69 -0.60 -0.33 -0.34 0.00 0.00 178.44 177.90 1a92 h GLU 45 N 0.86 0.10 -0.06 1.25 5.08 -0.77 -0.63 114.58 120.41 1a92 h GLU 45 Ca 0.22 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.26 1a92 h GLU 45 Cb 0.08 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1a92 h GLU 45 CO -0.03 0.67 -0.93 0.93 -1.00 0.00 0.00 179.01 178.65 1a92 h GLU 46 N 0.08 0.71 0.00 2.33 5.08 -0.63 -3.06 114.58 119.09 1a92 h GLU 46 Ca -0.01 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 1a92 h GLU 46 Cb 1.07 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1a92 h GLU 46 CO 0.08 1.28 0.00 -0.44 -1.00 0.00 0.00 179.01 178.93 1a92 h ASP 47 N 0.44 0.00 -2.32 1.42 3.32 -0.62 -3.37 116.42 115.29 1a92 h ASP 47 Ca -0.09 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.37 1a92 h ASP 47 Cb 1.57 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.73 1a92 h ASP 47 CO 0.18 0.00 -0.94 0.59 -1.72 0.00 0.00 179.24 177.35 1a92 n ASN 48 N -2.91 0.48 -0.07 6.45 3.02 -0.25 -4.99 115.26 116.98 1a92 n ASN 48 Ca 0.03 -2.66 0.25 0.00 -0.03 0.00 0.00 54.58 52.18 1a92 n ASN 48 Cb 0.45 -0.61 0.72 0.00 -0.61 0.00 0.00 39.78 39.73 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 4.97 0.00 0.00 3.52 0.11 -1.71 -1.49 132.00 137.40 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 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1a92 h PRO 49 CO 0.48 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.38 1a92 h TRP 50 N 0.00 0.00 0.00 0.65 5.08 -1.94 -1.84 115.95 117.90 1a92 h TRP 50 Ca 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.29 1a92 h TRP 50 Cb 1.52 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.68 1a92 h TRP 50 CO 0.00 0.00 -0.06 -0.07 -1.28 0.00 0.00 178.44 177.03 1a92 h LEU 51 N 0.00 0.00 -1.32 0.11 3.38 -1.59 -2.61 115.31 113.28 1a92 h LEU 51 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1a92 h LEU 51 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1a92 h LEU 51 CO 0.00 0.06 0.47 1.23 0.09 0.00 0.00 178.44 180.30 1a92 h GLY 52 N 1.05 1.00 1.25 0.83 0.00 -1.56 0.19 103.07 105.83 1a92 h GLY 52 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1a92 h GLY 52 CO 0.01 0.32 -0.34 3.43 0.00 0.00 0.00 176.54 179.96 1a92 h ASN 53 N 0.91 0.88 -0.34 0.19 2.35 -1.68 -0.02 115.58 117.87 1a92 h ASN 53 Ca 0.28 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 1a92 h ASN 53 Cb -0.00 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1a92 h ASN 53 CO -0.07 1.13 -0.02 0.40 -1.65 0.00 0.00 177.43 177.22 1a92 h ILE 54 N 0.70 1.26 -0.70 2.81 2.04 -1.34 -0.95 117.51 121.33 1a92 h ILE 54 Ca 0.07 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1a92 h ILE 54 Cb 0.90 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1a92 h ILE 54 CO 0.08 0.33 0.41 0.50 0.00 0.00 0.00 178.15 179.47 1a92 h LYS 55 N 0.41 0.74 -0.70 2.37 3.64 -0.51 -1.37 116.57 121.15 1a92 h LYS 55 Ca 0.09 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1a92 h LYS 55 Cb 0.48 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1a92 h LYS 55 CO 0.02 0.49 0.18 0.78 -2.27 0.00 0.00 179.45 178.65 1a92 h GLY 56 N 0.76 1.20 0.81 5.01 0.00 -0.67 -1.17 103.07 109.00 1a92 h GLY 56 Ca 0.31 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1a92 h GLY 56 CO -0.17 0.68 -0.09 -2.22 0.00 0.00 0.00 176.54 174.74 1a92 h ILE 57 N 1.06 0.89 0.00 2.60 2.04 -0.43 -2.97 117.51 120.70 1a92 h ILE 57 Ca 0.22 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1a92 h ILE 57 Cb 0.35 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1a92 h ILE 57 CO -0.00 0.09 0.00 0.16 0.00 0.00 0.00 178.15 178.40 1a92 h ILE 58 N -0.45 0.00 -0.01 -0.67 3.07 -1.28 -3.05 117.51 115.13 1a92 h ILE 58 Ca -0.03 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1a92 h ILE 58 Cb 0.34 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 1a92 h ILE 58 CO 0.04 0.00 -0.03 0.61 -1.05 0.00 0.00 178.15 177.72 1a92 n GLY 59 N 0.48 -0.63 0.34 0.16 0.00 -0.45 -4.42 105.19 100.68 1a92 n GLY 59 Ca 0.02 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1a92 n GLY 59 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a92 h LYS 60 N 1.00 0.01 -0.01 1.61 3.64 -1.41 -3.50 116.57 117.91 1a92 h LYS 60 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a92 h LYS 60 Cb 0.28 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1a92 h LYS 60 CO 0.00 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.85