#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 0.32 0.21 0.00 6.06 -1.26 -5.08 118.95 119.20 1f62 s ARG 2 Ca 0.00 0.76 -0.30 0.00 -2.50 0.00 0.00 55.73 53.69 1f62 s ARG 2 Cb 0.00 -0.00 -0.09 0.00 0.06 0.00 0.00 34.95 34.92 1f62 s ARG 2 CO 0.00 -0.18 1.29 0.00 -2.50 0.00 0.00 175.30 173.91 1f62 h LYS 4 N 5.13 -0.15 0.56 0.00 3.11 -1.46 -1.06 116.57 122.70 1f62 h LYS 4 Ca -0.45 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.37 1f62 h LYS 4 Cb 1.22 0.04 0.01 0.00 -1.00 0.00 0.00 32.23 32.49 1f62 h LYS 4 CO 0.76 -0.10 -0.27 0.28 -2.81 0.00 0.00 179.45 177.30 1f62 h VAL 5 N -0.16 0.29 0.04 2.00 2.07 -1.93 -3.37 116.25 115.20 1f62 h VAL 5 Ca 0.09 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1f62 h VAL 5 Cb 0.30 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1f62 h VAL 5 CO -0.24 0.04 -0.02 0.00 0.02 0.00 0.00 177.57 177.38 1f62 n ARG 7 N -4.74 -2.52 -4.43 0.00 1.74 -0.40 -5.01 116.66 101.29 1f62 n ARG 7 Ca -0.08 0.99 -0.33 0.00 -0.77 0.00 0.00 57.85 57.66 1f62 n ARG 7 Cb 0.32 -5.71 -0.10 0.00 -1.02 0.00 0.00 32.46 25.95 1f62 n ARG 7 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1f62 s LYS 8 N -5.22 2.77 -0.29 5.56 1.02 -1.26 -5.00 119.74 117.32 1f62 s LYS 8 Ca 0.08 -0.57 -0.11 0.00 0.02 0.00 0.00 55.97 55.39 1f62 s LYS 8 Cb -0.03 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1f62 s LYS 8 CO 0.10 0.65 0.18 0.21 -0.92 0.00 0.00 175.35 175.57 1f62 s LYS 9 N -1.19 3.74 0.00 1.68 2.20 -1.26 -4.65 119.74 120.26 1f62 s LYS 9 Ca 0.16 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1f62 s LYS 9 Cb -0.11 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1f62 s LYS 9 CO 0.06 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1f62 n GLY 10 N 5.05 -0.66 2.16 5.54 0.00 -1.26 -4.99 105.19 111.02 1f62 n GLY 10 Ca -0.14 0.36 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1f62 n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f62 n GLU 11 N 0.00 2.77 -1.33 1.61 0.00 -1.26 -4.75 120.64 117.68 1f62 n GLU 11 Ca 0.00 -1.61 -0.23 0.00 0.00 0.00 0.00 57.16 55.32 1f62 n GLU 11 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 31.44 29.01 1f62 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f62 n ASP 12 N 2.81 6.22 0.00 -1.84 9.92 -1.26 -4.36 116.55 128.03 1f62 n ASP 12 Ca 0.58 -2.91 0.00 0.00 -0.53 0.00 0.00 54.79 51.93 1f62 n ASP 12 Cb 0.61 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1f62 n ASP 13 N 1.65 0.00 -3.63 -2.24 2.03 -1.26 -4.93 116.55 108.17 1f62 n ASP 13 Ca 0.49 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.39 1f62 n ASP 13 Cb 0.65 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.07 1f62 n ASP 13 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1f62 n LYS 14 N -0.94 5.17 -1.74 -0.67 4.76 -1.26 -4.98 118.16 118.49 1f62 n LYS 14 Ca 0.00 -4.35 -0.32 0.00 -2.87 0.00 0.00 58.31 50.77 1f62 n LYS 14 Cb 0.00 -2.52 0.04 0.00 -1.84 0.00 0.00 35.03 30.71 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1f62 s LEU 15 N -3.65 3.28 -0.25 -0.35 2.01 -1.26 -2.60 118.68 115.87 1f62 s LEU 15 Ca 0.42 1.73 -0.05 0.00 0.01 0.00 0.00 54.13 56.25 1f62 s LEU 15 Cb 0.18 -4.51 0.13 0.00 0.01 0.00 0.00 46.19 41.99 1f62 s LEU 15 CO -0.11 -1.39 0.46 -0.51 1.01 0.00 0.00 176.35 175.82 1f62 s ILE 16 N -2.76 -0.74 0.20 -0.59 2.07 0.41 -4.85 121.20 114.94 1f62 s ILE 16 Ca 0.61 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.75 1f62 s ILE 16 Cb -0.15 -0.82 -0.07 0.00 0.13 0.00 0.00 42.46 41.54 1f62 s ILE 16 CO 0.47 -0.02 0.57 -0.76 -1.91 0.00 0.00 174.94 173.29 1f62 s LEU 17 N 2.67 4.23 0.18 8.50 1.02 -1.26 -1.05 118.68 132.97 1f62 s LEU 17 Ca 0.08 1.03 -0.30 0.00 0.02 0.00 0.00 54.13 54.95 1f62 s LEU 17 Cb -0.14 -3.54 -0.09 0.00 0.02 0.00 0.00 46.19 42.44 1f62 s LEU 17 CO -0.16 -0.01 1.32 0.00 0.02 0.00 0.00 176.35 177.52 1f62 h ASP 19 N 5.62 -0.14 0.80 0.00 3.58 -1.58 -0.67 116.42 124.02 1f62 h ASP 19 Ca -0.44 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.01 1f62 h ASP 19 Cb 1.21 0.09 0.01 0.00 1.72 0.00 0.00 39.33 42.36 1f62 h ASP 19 CO 0.79 -0.05 -0.38 -0.08 -2.88 0.00 0.00 179.24 176.63 1f62 h GLU 20 N -0.01 -1.03 -0.00 0.28 4.81 -1.93 -3.38 114.58 113.31 1f62 h GLU 20 Ca 0.07 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1f62 h GLU 20 Cb 0.11 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1f62 h GLU 20 CO -0.15 -0.68 0.00 0.00 -0.73 0.00 0.00 179.01 177.45 1f62 n ASN 22 N 0.02 -5.89 -4.71 0.00 5.03 -0.26 -4.97 115.26 104.48 1f62 n ASN 22 Ca 0.01 -0.22 -0.42 0.00 0.87 0.00 0.00 54.58 54.82 1f62 n ASN 22 Cb 0.05 -4.75 -0.03 0.00 -1.02 0.00 0.00 39.78 34.03 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1f62 s LYS 23 N -5.50 4.53 -0.07 3.52 1.02 -1.26 -4.74 119.74 117.24 1f62 s LYS 23 Ca 0.22 1.34 -0.22 0.00 0.02 0.00 0.00 55.97 57.34 1f62 s LYS 23 Cb -0.10 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 1f62 s LYS 23 CO 0.28 -0.06 0.63 0.00 -0.92 0.00 0.00 175.35 175.27 1f62 s ALA 24 N 1.09 3.39 0.37 5.17 0.00 -1.26 -1.68 121.76 128.84 1f62 s ALA 24 Ca 0.50 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1f62 s ALA 24 Cb -0.20 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1f62 s ALA 24 CO 0.26 -0.04 0.06 -0.06 0.00 0.00 0.00 175.76 175.98 1f62 s PHE 25 N 0.61 1.99 0.39 0.00 0.40 -0.21 -1.02 117.98 120.13 1f62 s PHE 25 Ca 0.34 -0.99 0.08 0.00 -0.60 0.00 0.00 56.93 55.75 1f62 s PHE 25 Cb -0.17 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1f62 s PHE 25 CO 0.16 0.02 0.22 -1.01 0.70 0.00 0.00 175.22 175.31 1f62 s HIS 26 N -3.16 2.67 0.30 0.36 3.76 -1.26 -0.45 115.29 117.52 1f62 s HIS 26 Ca 0.30 -0.49 -0.02 0.00 -0.15 0.00 0.00 55.06 54.70 1f62 s HIS 26 Cb 0.07 -1.92 0.46 0.00 1.11 0.00 0.00 32.58 32.31 1f62 s HIS 26 CO 0.14 0.15 1.97 -0.07 -0.85 0.00 0.00 174.74 176.09 1f62 h LEU 27 N 1.36 0.92 -0.47 0.89 3.38 -1.83 -0.08 115.31 119.48 1f62 h LEU 27 Ca -0.43 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.61 1f62 h LEU 27 Cb 1.26 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 1f62 h LEU 27 CO 0.64 0.67 -0.20 -0.26 0.09 0.00 0.00 178.44 179.39 1f62 h PHE 28 N 1.08 -0.48 0.23 1.13 0.04 -1.81 0.11 116.94 117.24 1f62 h PHE 28 Ca 0.29 0.05 -0.33 0.00 2.80 0.00 0.00 57.97 60.78 1f62 h PHE 28 Cb -0.11 0.28 0.04 0.00 2.20 0.00 0.00 35.95 38.36 1f62 h PHE 28 CO 0.00 -0.28 -1.44 0.00 -0.60 0.00 0.00 178.31 175.99 1f62 h LEU 30 N 0.15 -0.28 -6.00 0.00 6.46 -0.97 -3.46 115.31 111.20 1f62 h LEU 30 Ca -0.24 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 57.70 1f62 h LEU 30 Cb 2.14 0.08 -0.21 0.00 -0.73 0.00 0.00 40.66 41.94 1f62 h LEU 30 CO 0.27 -0.19 -0.07 -0.60 -0.62 0.00 0.00 178.44 177.22 1f62 s ARG 31 N -3.70 0.34 0.34 1.25 3.52 0.01 -5.07 118.95 115.64 1f62 s ARG 31 Ca -0.05 0.52 0.24 0.00 -0.13 0.00 0.00 55.73 56.31 1f62 s ARG 31 Cb 0.01 0.28 1.24 0.00 -1.56 0.00 0.00 34.95 34.92 1f62 s ARG 31 CO 0.14 -0.44 1.74 -1.00 -0.81 0.00 0.00 175.30 174.93 1f62 h PRO 32 N 7.88 0.00 -0.79 5.12 0.13 -1.49 -1.13 132.00 141.72 1f62 h PRO 32 Ca -0.14 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.15 1f62 h PRO 32 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1f62 h PRO 32 CO 0.04 0.00 0.53 0.00 -0.23 0.00 0.00 178.00 178.33 1f62 h ALA 33 N 2.06 2.12 -2.67 -0.56 0.00 -1.92 -3.41 119.26 114.88 1f62 h ALA 33 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.40 1f62 h ALA 33 Cb 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1f62 h ALA 33 CO 0.00 -0.34 0.52 -0.51 0.00 0.00 0.00 179.25 178.92 1f62 s LEU 34 N -9.39 4.47 0.00 0.00 2.01 -0.43 -4.91 118.68 110.43 1f62 s LEU 34 Ca -0.08 2.19 0.00 0.00 0.01 0.00 0.00 54.13 56.25 1f62 s LEU 34 Cb 0.21 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.81 1f62 s LEU 34 CO 0.77 -0.30 0.00 -1.22 1.01 0.00 0.00 176.35 176.61 1f62 n TYR 35 N 2.36 0.00 -2.67 0.29 4.01 -1.26 -4.61 117.16 115.27 1f62 n TYR 35 Ca 0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.43 1f62 n TYR 35 Cb 0.45 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.43 1f62 n TYR 35 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1f62 s GLU 36 N -1.70 4.08 0.03 -0.72 -1.05 -1.26 -5.04 118.70 113.04 1f62 s GLU 36 Ca 0.00 1.29 -0.30 0.00 -0.15 0.00 0.00 54.97 55.81 1f62 s GLU 36 Cb 0.00 -2.25 -0.04 0.00 -0.44 0.00 0.00 34.13 31.41 1f62 s GLU 36 CO 0.00 -0.18 0.98 0.08 0.95 0.00 0.00 175.26 177.09 1f62 s VAL 37 N -1.98 4.77 -0.96 1.83 1.01 -1.26 -5.00 120.40 118.81 1f62 s VAL 37 Ca 0.63 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 64.46 1f62 s VAL 37 Cb -0.14 -4.32 0.10 0.00 0.00 0.00 0.00 36.38 32.02 1f62 s VAL 37 CO 0.19 0.20 1.25 -2.16 0.00 0.00 0.00 175.10 174.57 1f62 s PRO 38 N 0.76 3.60 -1.34 2.72 0.04 -1.26 -4.92 135.00 134.59 1f62 s PRO 38 Ca 0.51 -1.52 -0.12 0.00 0.04 0.00 0.00 61.00 59.90 1f62 s PRO 38 Cb -0.22 -5.08 -0.05 0.00 0.04 0.00 0.00 34.50 29.19 1f62 s PRO 38 CO 0.28 -1.94 2.45 -0.25 0.04 0.00 0.00 177.00 177.59 1f62 n ASP 39 N 7.42 5.71 -0.45 6.66 8.00 -1.26 -4.77 116.55 137.86 1f62 n ASP 39 Ca 0.27 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 53.14 1f62 n ASP 39 Cb 0.50 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f62 n GLY 40 N 3.91 4.24 3.71 0.44 0.00 -1.26 -5.13 105.19 111.10 1f62 n GLY 40 Ca 0.61 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1f62 n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f62 s GLU 41 N -0.34 4.19 -0.03 1.61 2.12 -1.26 -5.02 118.70 119.97 1f62 s GLU 41 Ca 0.00 2.41 -0.18 0.00 0.36 0.00 0.00 54.97 57.57 1f62 s GLU 41 Cb 0.00 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 31.19 1f62 s GLU 41 CO 0.00 -0.67 0.39 -0.46 -0.54 0.00 0.00 175.26 173.98 1f62 s TRP 42 N 1.47 -0.29 0.10 5.30 -0.00 -1.26 -5.09 118.94 119.17 1f62 s TRP 42 Ca 0.72 0.49 0.02 0.00 -0.00 0.00 0.00 56.10 57.32 1f62 s TRP 42 Cb -0.44 0.16 -0.04 0.00 -0.00 0.00 0.00 33.47 33.14 1f62 s TRP 42 CO 0.32 -0.42 -0.06 1.14 -0.00 0.00 0.00 176.95 177.93 1f62 s GLN 43 N -1.19 0.84 0.41 5.86 1.03 -1.26 -1.34 119.66 124.01 1f62 s GLN 43 Ca -0.12 -1.34 -0.05 0.00 0.04 0.00 0.00 55.36 53.90 1f62 s GLN 43 Cb -0.04 -0.20 -0.04 0.00 0.03 0.00 0.00 33.01 32.76 1f62 s GLN 43 CO 0.05 -0.02 0.70 0.00 -2.54 0.00 0.00 175.29 173.48 1f62 n PRO 45 N -1.83 0.00 0.05 0.00 -0.02 -1.26 -1.48 135.00 130.46 1f62 n PRO 45 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.31 1f62 n PRO 45 Cb 0.55 -1.29 -0.14 0.00 -0.02 0.00 0.00 33.50 32.60 1f62 n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f62 h ALA 46 N 1.53 0.33 -0.03 3.55 0.00 -1.93 -3.39 119.26 119.31 1f62 h ALA 46 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1f62 h ALA 46 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f62 h ALA 46 CO 0.00 1.19 0.00 0.00 0.00 0.00 0.00 179.25 180.44 1f62 s GLN 48 N -1.42 3.93 0.88 0.00 -0.21 -1.21 -5.08 119.66 116.56 1f62 s GLN 48 Ca 0.00 0.87 -0.10 0.00 0.02 0.00 0.00 55.36 56.15 1f62 s GLN 48 Cb 0.00 -2.19 0.13 0.00 1.00 0.00 0.00 33.01 31.95 1f62 s GLN 48 CO 0.00 -0.21 1.13 -2.14 -2.12 0.00 0.00 175.29 171.95 1f62 s PRO 49 N -3.97 1.29 -1.19 2.91 0.02 -1.26 -4.29 135.00 128.51 1f62 s PRO 49 Ca 0.58 1.44 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 1f62 s PRO 49 Cb -0.10 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1f62 s PRO 49 CO 0.30 -2.40 1.91 0.00 -0.33 0.00 0.00 177.00 176.48 1f62 n ALA 50 N -4.07 3.10 0.88 -1.55 0.00 -1.26 -4.88 120.51 112.74 1f62 n ALA 50 Ca 0.11 -3.45 0.07 0.00 0.00 0.00 0.00 53.44 50.17 1f62 n ALA 50 Cb 0.52 -3.56 0.42 0.00 0.00 0.00 0.00 19.45 16.84 1f62 n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75