#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f62 s ARG 2 N 0.00 3.10 0.43 0.00 0.52 -1.26 -4.21 118.95 117.53 1f62 s ARG 2 Ca 0.00 0.50 -0.24 0.00 -0.52 0.00 0.00 55.73 55.47 1f62 s ARG 2 Cb 0.00 -4.21 -0.08 0.00 0.52 0.00 0.00 34.95 31.18 1f62 s ARG 2 CO 0.00 -2.18 1.19 0.00 0.02 0.00 0.00 175.30 174.33 1f62 h LYS 4 N 2.33 0.86 0.41 0.00 1.79 -1.58 0.16 116.57 120.54 1f62 h LYS 4 Ca -0.49 -0.40 -0.02 0.00 -2.18 0.00 0.00 60.65 57.56 1f62 h LYS 4 Cb 1.24 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1f62 h LYS 4 CO 0.61 1.04 -0.20 0.28 -1.08 0.00 0.00 179.45 180.11 1f62 h VAL 5 N 0.73 0.00 0.00 0.50 2.07 -1.94 -3.14 116.25 114.48 1f62 h VAL 5 Ca 0.08 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1f62 h VAL 5 Cb 0.85 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1f62 h VAL 5 CO 0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1f62 n ARG 7 N -1.38 -2.05 -3.58 0.00 1.85 0.54 -4.90 116.66 107.14 1f62 n ARG 7 Ca 0.10 0.25 -0.10 0.00 -1.00 0.00 0.00 57.85 57.10 1f62 n ARG 7 Cb 0.26 -4.32 -0.05 0.00 -1.05 0.00 0.00 32.46 27.29 1f62 n ARG 7 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1f62 s LYS 8 N -7.03 0.55 0.15 2.89 2.20 -1.23 -4.96 119.74 112.32 1f62 s LYS 8 Ca 0.26 0.14 -0.31 0.00 -0.36 0.00 0.00 55.97 55.71 1f62 s LYS 8 Cb -0.15 0.26 -0.08 0.00 -1.51 0.00 0.00 37.83 36.35 1f62 s LYS 8 CO 0.96 -0.17 1.35 0.21 -0.36 0.00 0.00 175.35 177.33 1f62 s LYS 9 N -1.09 4.35 0.00 4.03 2.36 -1.26 -3.41 119.74 124.72 1f62 s LYS 9 Ca -0.01 2.06 0.00 0.00 -2.55 0.00 0.00 55.97 55.47 1f62 s LYS 9 Cb -0.01 -3.23 0.00 0.00 -1.05 0.00 0.00 37.83 33.55 1f62 s LYS 9 CO 0.01 -0.35 0.00 0.41 1.55 0.00 0.00 175.35 176.97 1f62 n GLY 10 N 2.97 5.37 3.56 5.54 0.00 -1.26 -5.02 105.19 116.35 1f62 n GLY 10 Ca 0.09 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1f62 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f62 s GLU 11 N 2.18 2.99 -1.48 1.61 0.41 -1.26 -4.89 118.70 118.26 1f62 s GLU 11 Ca 0.00 -0.75 -0.11 0.00 -0.41 0.00 0.00 54.97 53.70 1f62 s GLU 11 Cb 0.00 -5.21 0.02 0.00 -1.78 0.00 0.00 34.13 27.16 1f62 s GLU 11 CO 0.00 -2.96 2.47 -0.25 -0.49 0.00 0.00 175.26 174.03 1f62 n ASP 12 N 11.93 6.34 0.00 -0.19 8.00 -1.26 -4.65 116.55 136.71 1f62 n ASP 12 Ca 0.39 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 53.07 1f62 n ASP 12 Cb 0.48 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1f62 n ASP 13 N 4.33 0.00 -3.35 -2.24 2.03 -1.26 -4.81 116.55 111.24 1f62 n ASP 13 Ca 0.61 0.85 -0.15 0.00 0.52 0.00 0.00 54.79 56.62 1f62 n ASP 13 Cb 0.31 -0.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.18 1f62 n ASP 13 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1f62 s LYS 14 N -2.42 0.60 -1.01 -0.67 1.02 -1.26 -5.07 119.74 110.93 1f62 s LYS 14 Ca 0.00 -0.69 -0.24 0.00 0.02 0.00 0.00 55.97 55.06 1f62 s LYS 14 Cb 0.00 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 1f62 s LYS 14 CO 0.00 -1.17 1.87 -0.51 -0.92 0.00 0.00 175.35 174.63 1f62 s LEU 15 N 1.62 3.21 -0.09 3.17 1.02 -1.26 -2.69 118.68 123.66 1f62 s LEU 15 Ca 0.16 -1.12 -0.30 0.00 0.02 0.00 0.00 54.13 52.89 1f62 s LEU 15 Cb -0.14 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 1f62 s LEU 15 CO -0.08 -2.61 1.53 -0.51 0.02 0.00 0.00 176.35 174.70 1f62 s ILE 16 N 9.43 3.80 0.02 -0.59 2.07 0.26 -4.71 121.20 131.48 1f62 s ILE 16 Ca 0.66 0.97 -0.29 0.00 -1.41 0.00 0.00 60.65 60.58 1f62 s ILE 16 Cb -0.04 -3.63 -0.04 0.00 0.13 0.00 0.00 42.46 38.89 1f62 s ILE 16 CO 0.02 -0.09 0.92 -0.76 -1.91 0.00 0.00 174.94 173.13 1f62 s LEU 17 N 3.90 4.40 0.08 8.50 1.02 -1.26 -1.11 118.68 134.21 1f62 s LEU 17 Ca 0.68 1.61 -0.31 0.00 0.02 0.00 0.00 54.13 56.13 1f62 s LEU 17 Cb -0.30 -3.48 -0.08 0.00 0.02 0.00 0.00 46.19 42.35 1f62 s LEU 17 CO 0.25 -0.17 1.51 0.00 0.02 0.00 0.00 176.35 177.95 1f62 h ASP 19 N 7.55 0.36 0.56 0.00 3.58 -1.87 0.42 116.42 127.02 1f62 h ASP 19 Ca -0.41 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.03 1f62 h ASP 19 Cb 1.20 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 42.21 1f62 h ASP 19 CO 0.90 0.25 -0.27 -0.08 -2.88 0.00 0.00 179.24 177.17 1f62 h GLU 20 N 0.49 -0.73 -0.01 0.28 4.81 -1.91 -3.36 114.58 114.15 1f62 h GLU 20 Ca 0.21 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1f62 h GLU 20 Cb 0.10 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1f62 h GLU 20 CO -0.14 -0.48 -0.62 0.00 -0.73 0.00 0.00 179.01 177.04 1f62 n ASN 22 N -0.63 -6.84 -3.85 0.00 2.85 0.14 -5.01 115.26 101.92 1f62 n ASN 22 Ca 0.06 -0.28 -0.18 0.00 -0.11 0.00 0.00 54.58 54.08 1f62 n ASN 22 Cb 0.37 -4.83 -0.16 0.00 1.24 0.00 0.00 39.78 36.40 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1f62 s LYS 23 N -3.46 0.52 -0.07 1.20 -0.14 -1.25 -4.89 119.74 111.64 1f62 s LYS 23 Ca 0.15 -0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.46 1f62 s LYS 23 Cb -0.02 -0.62 -0.02 0.00 -1.68 0.00 0.00 37.83 35.49 1f62 s LYS 23 CO 0.67 -0.10 1.05 0.00 -0.76 0.00 0.00 175.35 176.21 1f62 s ALA 24 N 0.92 3.38 -0.04 5.17 0.00 -1.26 -1.58 121.76 128.35 1f62 s ALA 24 Ca -0.11 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1f62 s ALA 24 Cb -0.14 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.58 1f62 s ALA 24 CO -0.01 -0.56 0.04 -0.06 0.00 0.00 0.00 175.76 175.18 1f62 s PHE 25 N 1.81 0.13 0.51 0.00 0.40 -0.27 -1.36 117.98 119.21 1f62 s PHE 25 Ca 0.51 0.17 -0.22 0.00 -0.60 0.00 0.00 56.93 56.79 1f62 s PHE 25 Cb -0.21 -0.45 -0.06 0.00 0.51 0.00 0.00 43.02 42.81 1f62 s PHE 25 CO 0.21 -0.18 1.24 -1.01 0.70 0.00 0.00 175.22 176.19 1f62 s HIS 26 N 1.80 2.59 0.39 0.36 3.76 -1.26 -0.57 115.29 122.36 1f62 s HIS 26 Ca 0.01 1.47 0.09 0.00 -0.15 0.00 0.00 55.06 56.48 1f62 s HIS 26 Cb -0.12 -3.55 0.86 0.00 1.11 0.00 0.00 32.58 30.87 1f62 s HIS 26 CO -0.03 -2.13 1.97 -0.07 -0.85 0.00 0.00 174.74 173.63 1f62 h LEU 27 N 1.67 0.54 -0.31 0.89 3.38 -1.84 0.33 115.31 119.97 1f62 h LEU 27 Ca -0.50 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.54 1f62 h LEU 27 Cb 1.27 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1f62 h LEU 27 CO 0.58 0.34 -0.15 -0.26 0.09 0.00 0.00 178.44 179.04 1f62 h PHE 28 N 0.61 -0.37 -0.44 1.13 0.04 -1.88 0.78 116.94 116.81 1f62 h PHE 28 Ca 0.29 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 61.00 1f62 h PHE 28 Cb 0.36 0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1f62 h PHE 28 CO -0.00 -0.23 -0.11 0.00 -0.60 0.00 0.00 178.31 177.37 1f62 n LEU 30 N -4.16 0.73 -3.31 0.00 0.00 0.01 -4.91 117.00 105.35 1f62 n LEU 30 Ca 0.01 0.40 -0.10 0.00 0.00 0.00 0.00 56.01 56.32 1f62 n LEU 30 Cb 0.37 -0.37 -0.06 0.00 0.00 0.00 0.00 43.42 43.35 1f62 n LEU 30 CO 0.43 -0.37 -0.08 -0.13 0.00 0.00 0.00 177.39 177.24 1f62 s ARG 31 N -0.83 0.49 0.35 1.96 0.52 0.24 -4.85 118.95 116.82 1f62 s ARG 31 Ca 0.00 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 1f62 s ARG 31 Cb 0.00 -0.38 0.65 0.00 0.52 0.00 0.00 34.95 35.74 1f62 s ARG 31 CO 0.00 -1.08 1.93 -1.00 0.02 0.00 0.00 175.30 175.16 1f62 h PRO 32 N 7.85 0.57 -0.99 3.54 0.13 -1.61 -1.08 132.00 140.40 1f62 h PRO 32 Ca -0.05 -0.09 0.22 0.00 -0.87 0.00 0.00 66.00 65.20 1f62 h PRO 32 Cb 1.11 -0.10 -0.10 0.00 0.13 0.00 0.00 31.00 32.04 1f62 h PRO 32 CO 0.24 0.52 0.62 0.00 -0.23 0.00 0.00 178.00 179.15 1f62 h ALA 33 N 1.56 1.91 -0.94 -0.56 0.00 -1.94 -3.06 119.26 116.22 1f62 h ALA 33 Ca 0.13 0.07 -0.66 0.00 0.00 0.00 0.00 54.91 54.45 1f62 h ALA 33 Cb 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1f62 h ALA 33 CO -0.00 -0.28 2.03 -0.51 0.00 0.00 0.00 179.25 180.48 1f62 s LEU 34 N -10.00 3.79 0.49 0.00 2.01 -0.41 -4.80 118.68 109.77 1f62 s LEU 34 Ca -0.10 -2.23 0.28 0.00 0.01 0.00 0.00 54.13 52.09 1f62 s LEU 34 Cb 0.25 -2.57 1.17 0.00 0.01 0.00 0.00 46.19 45.05 1f62 s LEU 34 CO 0.80 -1.24 1.92 1.88 1.01 0.00 0.00 176.35 180.72 1f62 h TYR 35 N 8.07 0.00 -1.72 0.29 0.05 -1.76 -3.44 116.97 118.46 1f62 h TYR 35 Ca 0.39 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.55 1f62 h TYR 35 Cb 0.90 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.52 1f62 h TYR 35 CO 1.39 0.13 -0.61 -1.21 -1.05 0.00 0.00 178.16 176.81 1f62 s GLU 36 N -3.74 1.96 0.17 4.88 2.02 -1.26 -4.98 118.70 117.75 1f62 s GLU 36 Ca 0.00 -2.03 -0.31 0.00 0.02 0.00 0.00 54.97 52.65 1f62 s GLU 36 Cb 0.10 -1.70 -0.09 0.00 0.10 0.00 0.00 34.13 32.54 1f62 s GLU 36 CO 0.59 -0.01 1.44 0.08 0.02 0.00 0.00 175.26 177.39 1f62 s VAL 37 N -2.67 2.97 -0.77 2.63 1.01 -1.26 -4.95 120.40 117.35 1f62 s VAL 37 Ca 0.35 0.72 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 1f62 s VAL 37 Cb 0.07 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1f62 s VAL 37 CO 0.18 0.07 1.27 -2.16 0.00 0.00 0.00 175.10 174.47 1f62 s PRO 38 N 0.68 3.24 -1.20 2.72 0.04 -1.26 -4.92 135.00 134.31 1f62 s PRO 38 Ca 0.64 -0.43 -0.15 0.00 0.04 0.00 0.00 61.00 61.10 1f62 s PRO 38 Cb -0.40 -4.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.74 1f62 s PRO 38 CO 0.34 -2.13 2.20 -3.47 0.04 0.00 0.00 177.00 173.98 1f62 n ASP 39 N 9.14 4.07 0.00 6.66 2.03 -1.26 -3.46 116.55 133.73 1f62 n ASP 39 Ca 0.07 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.67 1f62 n ASP 39 Cb 0.49 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f62 n GLY 40 N 4.15 -1.77 2.31 0.27 0.00 -1.26 -4.98 105.19 103.90 1f62 n GLY 40 Ca 0.54 0.61 -0.28 0.00 0.00 0.00 0.00 46.02 46.89 1f62 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f62 n GLU 41 N 0.00 3.03 -1.79 1.61 4.71 -1.22 -4.83 120.64 122.15 1f62 n GLU 41 Ca 0.00 -2.16 -0.40 0.00 -0.01 0.00 0.00 57.16 54.59 1f62 n GLU 41 Cb 0.00 -2.34 -0.01 0.00 -1.01 0.00 0.00 31.44 28.08 1f62 n GLU 41 CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 1f62 n TRP 42 N 2.10 2.70 -3.80 -0.32 -0.00 -1.24 -4.83 117.44 112.06 1f62 n TRP 42 Ca 0.56 -2.93 -0.13 0.00 -0.00 0.00 0.00 57.50 55.01 1f62 n TRP 42 Cb 0.53 -2.16 -0.13 0.00 -0.00 0.00 0.00 31.31 29.55 1f62 n TRP 42 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1f62 s GLN 43 N 0.73 0.16 0.72 5.87 -0.21 -1.26 -2.64 119.66 123.03 1f62 s GLN 43 Ca 0.56 0.27 -0.12 0.00 0.02 0.00 0.00 55.36 56.10 1f62 s GLN 43 Cb 0.16 0.01 0.03 0.00 1.00 0.00 0.00 33.01 34.21 1f62 s GLN 43 CO -0.07 -0.06 1.08 0.00 -2.12 0.00 0.00 175.29 174.12 1f62 h PRO 45 N -0.66 0.12 -0.17 0.00 0.11 -1.90 0.11 132.00 129.61 1f62 h PRO 45 Ca -0.45 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1f62 h PRO 45 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1f62 h PRO 45 CO 0.54 0.08 -0.50 0.00 -0.21 0.00 0.00 178.00 177.91 1f62 h ALA 46 N 1.91 0.29 -0.22 -0.75 0.00 -2.01 -3.03 119.26 115.45 1f62 h ALA 46 Ca 0.69 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1f62 h ALA 46 Cb 1.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1f62 h ALA 46 CO -0.74 0.46 -0.38 0.00 0.00 0.00 0.00 179.25 178.60 1f62 s GLN 48 N -4.27 4.37 0.19 0.00 2.00 0.25 -4.94 119.66 117.26 1f62 s GLN 48 Ca -0.07 2.06 -0.32 0.00 -2.00 0.00 0.00 55.36 55.03 1f62 s GLN 48 Cb 0.13 -3.20 -0.12 0.00 0.80 0.00 0.00 33.01 30.61 1f62 s GLN 48 CO 0.81 -0.30 1.72 -2.30 -0.50 0.00 0.00 175.29 174.72 1f62 n PRO 49 N 2.90 2.70 -3.71 1.67 -0.02 -1.26 -4.91 135.00 132.37 1f62 n PRO 49 Ca 0.07 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.40 1f62 n PRO 49 Cb 0.43 -2.82 -0.07 0.00 -0.02 0.00 0.00 33.50 31.02 1f62 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f62 s ALA 50 N 1.36 -0.86 0.00 3.55 0.00 -1.26 -5.15 121.76 119.40 1f62 s ALA 50 Ca 0.77 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1f62 s ALA 50 Cb -0.53 0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1f62 s ALA 50 CO 0.34 -0.41 0.00 2.41 0.00 0.00 0.00 175.76 178.10