#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 4.32 -0.20 0.00 0.52 -1.26 -3.01 118.95 119.32 1f62 s ARG 2 Ca 0.00 2.03 -0.16 0.00 -0.52 0.00 0.00 55.73 57.08 1f62 s ARG 2 Cb 0.00 -3.36 0.05 0.00 0.52 0.00 0.00 34.95 32.17 1f62 s ARG 2 CO 0.00 -0.47 0.51 0.00 0.02 0.00 0.00 175.30 175.36 1f62 h LYS 4 N 5.83 -0.18 0.00 0.00 3.11 -1.51 -2.37 116.57 121.46 1f62 h LYS 4 Ca -0.30 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1f62 h LYS 4 Cb 1.18 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1f62 h LYS 4 CO 0.20 -0.12 -0.00 0.28 -2.81 0.00 0.00 179.45 177.00 1f62 h VAL 5 N -0.18 0.00 0.04 2.00 2.07 -1.97 -3.41 116.25 114.80 1f62 h VAL 5 Ca 0.11 -0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.25 1f62 h VAL 5 Cb 0.35 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1f62 h VAL 5 CO -0.28 0.00 -2.26 0.00 0.02 0.00 0.00 177.57 175.05 1f62 n ARG 7 N -3.29 -2.04 -3.90 0.00 0.63 -0.89 -4.97 116.66 102.19 1f62 n ARG 7 Ca -0.39 0.53 -0.35 0.00 -0.92 0.00 0.00 57.85 56.72 1f62 n ARG 7 Cb 1.03 -4.55 -0.14 0.00 0.45 0.00 0.00 32.46 29.25 1f62 n ARG 7 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1f62 s LYS 8 N -5.80 3.04 -0.19 -0.14 1.02 -1.16 -4.87 119.74 111.64 1f62 s LYS 8 Ca 0.37 -0.85 -0.27 0.00 0.02 0.00 0.00 55.97 55.23 1f62 s LYS 8 Cb -0.12 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1f62 s LYS 8 CO 0.84 -0.36 0.95 0.21 -0.92 0.00 0.00 175.35 176.07 1f62 s LYS 9 N 1.41 4.29 0.00 1.68 2.20 -1.26 -0.68 119.74 127.38 1f62 s LYS 9 Ca 0.02 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1f62 s LYS 9 Cb -0.16 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1f62 s LYS 9 CO -0.03 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1f62 n GLY 10 N 3.39 0.35 2.35 5.54 0.00 -1.26 -4.86 105.19 110.69 1f62 n GLY 10 Ca 0.08 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1f62 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f62 n GLU 11 N 0.00 3.36 -1.60 1.61 4.71 -1.26 -4.76 120.64 122.70 1f62 n GLU 11 Ca 0.00 -2.02 -0.36 0.00 -0.01 0.00 0.00 57.16 54.78 1f62 n GLU 11 Cb 0.00 -2.70 -0.04 0.00 -1.01 0.00 0.00 31.44 27.69 1f62 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1f62 n ASP 12 N 3.64 7.89 0.00 1.62 8.00 -1.26 -3.63 116.55 132.81 1f62 n ASP 12 Ca 0.71 -2.88 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1f62 n ASP 12 Cb 0.24 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 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 2.38 0.00 -2.84 -2.24 2.03 -1.26 -4.94 116.55 109.69 1f62 n ASP 13 Ca 0.65 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.86 1f62 n ASP 13 Cb 0.34 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.75 1f62 n ASP 13 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1f62 n LYS 14 N -0.71 0.69 -1.59 -0.67 2.85 -1.26 -5.16 118.16 112.31 1f62 n LYS 14 Ca 0.00 -2.06 -0.32 0.00 -1.05 0.00 0.00 58.31 54.88 1f62 n LYS 14 Cb 0.00 -1.45 0.06 0.00 -0.65 0.00 0.00 35.03 33.00 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1f62 s LEU 15 N -0.39 3.27 -0.15 -5.58 1.02 -1.26 -4.74 118.68 110.84 1f62 s LEU 15 Ca 0.32 1.94 0.01 0.00 0.02 0.00 0.00 54.13 56.42 1f62 s LEU 15 Cb 0.16 -4.54 -0.00 0.00 0.02 0.00 0.00 46.19 41.83 1f62 s LEU 15 CO -0.19 -1.77 -0.16 -0.51 0.02 0.00 0.00 176.35 173.74 1f62 s ILE 16 N -2.53 2.59 -0.12 -0.59 2.07 -0.19 -4.99 121.20 117.45 1f62 s ILE 16 Ca 0.65 -0.80 -0.09 0.00 -1.41 0.00 0.00 60.65 59.00 1f62 s ILE 16 Cb -0.19 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.27 1f62 s ILE 16 CO 0.46 0.52 0.20 -0.76 -1.91 0.00 0.00 174.94 173.45 1f62 s LEU 17 N 0.78 4.36 0.31 8.50 1.02 -1.26 -1.02 118.68 131.38 1f62 s LEU 17 Ca -0.06 0.52 -0.29 0.00 0.02 0.00 0.00 54.13 54.32 1f62 s LEU 17 Cb -0.15 -2.19 -0.10 0.00 0.02 0.00 0.00 46.19 43.77 1f62 s LEU 17 CO 0.00 0.33 1.24 0.00 0.02 0.00 0.00 176.35 177.94 1f62 h ASP 19 N 3.59 0.71 0.20 0.00 2.03 -1.93 -0.29 116.42 120.74 1f62 h ASP 19 Ca -0.48 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 55.80 1f62 h ASP 19 Cb 1.22 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1f62 h ASP 19 CO 0.66 0.51 -0.10 -0.08 -1.03 0.00 0.00 179.24 179.20 1f62 h GLU 20 N 0.85 -0.26 -0.02 4.15 4.81 -1.91 -3.40 114.58 118.79 1f62 h GLU 20 Ca 0.25 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1f62 h GLU 20 Cb -0.05 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1f62 h GLU 20 CO -0.07 -0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.13 1f62 n ASN 22 N -0.51 -3.52 -4.73 0.00 5.15 -0.12 -4.90 115.26 106.64 1f62 n ASN 22 Ca 0.02 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.58 1f62 n ASN 22 Cb 0.28 -2.22 -0.03 0.00 -0.53 0.00 0.00 39.78 37.28 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1f62 s LYS 23 N -1.12 4.34 0.27 1.20 1.02 -1.26 -4.22 119.74 119.98 1f62 s LYS 23 Ca 0.00 2.09 -0.22 0.00 0.02 0.00 0.00 55.97 57.85 1f62 s LYS 23 Cb 0.00 -3.22 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 1f62 s LYS 23 CO 0.00 -0.36 0.83 0.00 -0.92 0.00 0.00 175.35 174.89 1f62 s ALA 24 N 0.63 3.31 0.08 5.17 0.00 -1.26 -1.34 121.76 128.35 1f62 s ALA 24 Ca 0.61 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.64 1f62 s ALA 24 Cb -0.37 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1f62 s ALA 24 CO 0.34 0.25 0.64 -0.06 0.00 0.00 0.00 175.76 176.94 1f62 s PHE 25 N -1.59 -0.57 0.13 0.00 0.08 -0.19 -1.13 117.98 114.71 1f62 s PHE 25 Ca 0.47 0.60 -0.05 0.00 0.12 0.00 0.00 56.93 58.07 1f62 s PHE 25 Cb -0.17 0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 42.73 1f62 s PHE 25 CO 0.22 -0.76 0.37 -1.01 -0.10 0.00 0.00 175.22 173.94 1f62 s HIS 26 N -2.84 3.49 0.22 0.36 3.76 -1.26 -1.02 115.29 117.99 1f62 s HIS 26 Ca -0.03 0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 55.36 1f62 s HIS 26 Cb -0.01 -2.01 0.28 0.00 1.11 0.00 0.00 32.58 31.95 1f62 s HIS 26 CO -0.05 0.45 1.81 -0.07 -0.85 0.00 0.00 174.74 176.03 1f62 h LEU 27 N 2.94 0.57 -0.08 0.89 -0.00 -1.85 -2.18 115.31 115.60 1f62 h LEU 27 Ca -0.46 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.49 1f62 h LEU 27 Cb 1.17 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.69 1f62 h LEU 27 CO 0.72 0.36 -0.37 -0.26 -0.00 0.00 0.00 178.44 178.89 1f62 h PHE 28 N 0.70 -1.03 0.00 1.13 0.04 -1.66 -0.81 116.94 115.31 1f62 h PHE 28 Ca 0.32 0.04 -0.10 0.00 2.80 0.00 0.00 57.97 61.03 1f62 h PHE 28 Cb 0.23 0.46 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1f62 h PHE 28 CO -0.08 -0.44 -0.49 0.00 -0.60 0.00 0.00 178.31 176.70 1f62 n LEU 30 N -3.92 0.15 -3.88 0.00 4.77 -0.84 -4.86 117.00 108.42 1f62 n LEU 30 Ca -0.01 0.75 -0.26 0.00 -0.03 0.00 0.00 56.01 56.45 1f62 n LEU 30 Cb 0.51 -0.43 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 1f62 n LEU 30 CO 0.40 -0.43 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.47 1f62 s ARG 31 N -2.03 1.36 0.30 3.23 3.00 -0.32 -5.05 118.95 119.43 1f62 s ARG 31 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 55.73 55.50 1f62 s ARG 31 Cb 0.00 -1.53 0.45 0.00 0.00 0.00 0.00 34.95 33.87 1f62 s ARG 31 CO 0.00 -0.29 1.95 -1.00 0.00 0.00 0.00 175.30 175.96 1f62 h PRO 32 N 8.20 1.08 0.00 3.54 0.13 -1.67 -1.05 132.00 142.23 1f62 h PRO 32 Ca -0.28 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1f62 h PRO 32 Cb 1.13 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1f62 h PRO 32 CO 0.38 0.72 -0.24 0.00 -0.23 0.00 0.00 178.00 178.63 1f62 h ALA 33 N 1.48 1.29 -1.92 -0.56 0.00 -1.89 -3.40 119.26 114.26 1f62 h ALA 33 Ca 0.33 -0.22 -0.57 0.00 0.00 0.00 0.00 54.91 54.45 1f62 h ALA 33 Cb -0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1f62 h ALA 33 CO -0.09 0.30 0.95 -0.51 0.00 0.00 0.00 179.25 179.90 1f62 s LEU 34 N -7.58 3.84 -0.17 0.00 2.01 -0.40 -4.83 118.68 111.55 1f62 s LEU 34 Ca -0.02 1.06 -0.10 0.00 0.01 0.00 0.00 54.13 55.09 1f62 s LEU 34 Cb 0.13 -3.54 -0.07 0.00 0.01 0.00 0.00 46.19 42.71 1f62 s LEU 34 CO 0.65 -1.09 -0.24 -1.22 1.01 0.00 0.00 176.35 175.47 1f62 n TYR 35 N 7.59 0.00 -1.99 0.29 4.01 -1.26 -2.81 117.16 122.99 1f62 n TYR 35 Ca 0.14 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.59 1f62 n TYR 35 Cb 0.47 -0.62 0.06 0.00 -0.31 0.00 0.00 39.34 38.94 1f62 n TYR 35 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1f62 s GLU 36 N -2.37 2.44 0.71 -0.72 0.41 -1.26 -4.75 118.70 113.15 1f62 s GLU 36 Ca -0.25 0.18 -0.14 0.00 -0.41 0.00 0.00 54.97 54.35 1f62 s GLU 36 Cb 0.09 -2.04 0.03 0.00 -1.78 0.00 0.00 34.13 30.42 1f62 s GLU 36 CO 0.32 -1.24 1.12 0.14 -0.49 0.00 0.00 175.26 175.11 1f62 s VAL 37 N -3.39 3.05 0.71 2.63 -7.23 -1.26 -4.98 120.40 109.93 1f62 s VAL 37 Ca 0.59 0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 61.10 1f62 s VAL 37 Cb -0.11 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.90 1f62 s VAL 37 CO 0.49 -0.34 1.08 -2.16 -0.31 0.00 0.00 175.10 173.86 1f62 s PRO 38 N -4.27 2.84 -0.18 4.82 0.04 -1.26 -4.96 135.00 132.04 1f62 s PRO 38 Ca 0.67 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 1f62 s PRO 38 Cb -0.21 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 1f62 s PRO 38 CO 0.46 -1.07 3.22 -0.40 0.04 0.00 0.00 177.00 179.24 1f62 n ASP 39 N -3.06 5.74 0.00 6.66 5.75 -1.26 -4.80 116.55 125.59 1f62 n ASP 39 Ca 0.07 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 1f62 n ASP 39 Cb 0.56 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.32 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f62 n GLY 40 N 1.80 -2.04 3.71 6.12 0.00 -1.26 -5.14 105.19 108.38 1f62 n GLY 40 Ca 0.44 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1f62 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f62 s GLU 41 N -1.85 1.59 -0.17 1.61 8.01 -1.26 -5.07 118.70 121.55 1f62 s GLU 41 Ca 0.00 1.46 -0.04 0.00 0.01 0.00 0.00 54.97 56.40 1f62 s GLU 41 Cb 0.00 -1.80 0.08 0.00 -4.31 0.00 0.00 34.13 28.10 1f62 s GLU 41 CO 0.00 -2.19 0.21 -0.46 0.01 0.00 0.00 175.26 172.83 1f62 s TRP 42 N -2.63 -0.27 0.17 1.61 -0.11 -1.26 -5.02 118.94 111.42 1f62 s TRP 42 Ca 0.66 0.39 -0.30 0.00 1.22 0.00 0.00 56.10 58.07 1f62 s TRP 42 Cb -0.22 -0.30 -0.08 0.00 -1.50 0.00 0.00 33.47 31.37 1f62 s TRP 42 CO 0.55 -0.50 1.32 -0.65 -4.62 0.00 0.00 176.95 173.04 1f62 s GLN 43 N 2.33 4.38 0.71 5.86 -0.21 -1.26 -4.18 119.66 127.30 1f62 s GLN 43 Ca 0.05 2.03 -0.11 0.00 0.02 0.00 0.00 55.36 57.35 1f62 s GLN 43 Cb -0.14 -3.22 0.02 0.00 1.00 0.00 0.00 33.01 30.66 1f62 s GLN 43 CO -0.10 -0.29 1.07 0.00 -2.12 0.00 0.00 175.29 173.85 1f62 n PRO 45 N -3.09 0.27 0.07 0.00 -0.04 -1.26 -1.04 135.00 129.90 1f62 n PRO 45 Ca 0.07 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.47 1f62 n PRO 45 Cb 0.55 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 1f62 n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f62 h ALA 46 N 2.67 0.25 0.30 0.55 0.00 -1.99 -3.35 119.26 117.69 1f62 h ALA 46 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1f62 h ALA 46 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1f62 h ALA 46 CO 0.00 0.78 -0.14 0.00 0.00 0.00 0.00 179.25 179.89 1f62 s GLN 48 N -3.31 2.85 -0.33 0.00 -1.52 -0.59 -4.95 119.66 111.81 1f62 s GLN 48 Ca -0.09 0.73 -0.28 0.00 -1.95 0.00 0.00 55.36 53.77 1f62 s GLN 48 Cb 0.01 -2.00 -0.05 0.00 -0.22 0.00 0.00 33.01 30.75 1f62 s GLN 48 CO 0.32 -1.10 2.17 -2.14 -0.25 0.00 0.00 175.29 174.29 1f62 s PRO 49 N -5.17 2.88 -1.17 2.91 0.02 -1.26 -4.72 135.00 128.50 1f62 s PRO 49 Ca 0.58 1.69 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 1f62 s PRO 49 Cb -0.13 -4.40 -0.05 0.00 0.02 0.00 0.00 34.50 29.95 1f62 s PRO 49 CO 0.54 -2.39 2.14 0.00 -0.33 0.00 0.00 177.00 176.97 1f62 n ALA 50 N 12.54 4.74 -0.94 -1.55 0.00 -1.26 -5.05 120.51 129.00 1f62 n ALA 50 Ca 0.30 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1f62 n ALA 50 Cb 0.48 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.38 1f62 n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75