#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f62 n ARG 2 N 0.00 -1.24 -4.44 0.00 1.85 -1.26 -4.56 116.66 107.01 1f62 n ARG 2 Ca 0.00 -2.14 -0.25 0.00 -1.00 0.00 0.00 57.85 54.46 1f62 n ARG 2 Cb 0.00 -1.34 -0.09 0.00 -1.05 0.00 0.00 32.46 29.97 1f62 n ARG 2 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1f62 h LYS 4 N 1.98 -0.05 0.00 0.00 1.63 -1.23 -3.27 116.57 115.63 1f62 h LYS 4 Ca -0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1f62 h LYS 4 Cb 1.25 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1f62 h LYS 4 CO 0.67 0.59 0.00 0.28 -3.45 0.00 0.00 179.45 177.54 1f62 n VAL 5 N -4.78 0.00 0.23 2.00 0.31 -1.26 -4.26 118.33 110.57 1f62 n VAL 5 Ca -0.09 0.37 0.12 0.00 -0.01 0.00 0.00 64.34 64.73 1f62 n VAL 5 Cb 0.33 -0.73 0.45 0.00 -0.91 0.00 0.00 33.84 32.97 1f62 n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f62 n ARG 7 N -3.24 -1.78 -4.40 0.00 1.85 -1.24 -4.98 116.66 102.87 1f62 n ARG 7 Ca 0.01 0.39 -0.19 0.00 -1.00 0.00 0.00 57.85 57.06 1f62 n ARG 7 Cb 0.43 -4.05 -0.15 0.00 -1.05 0.00 0.00 32.46 27.64 1f62 n ARG 7 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1f62 s LYS 8 N -6.35 0.83 -1.51 2.89 1.02 -1.26 -4.85 119.74 110.51 1f62 s LYS 8 Ca 0.32 -0.34 -0.09 0.00 0.02 0.00 0.00 55.97 55.88 1f62 s LYS 8 Cb -0.13 -0.80 -0.07 0.00 -0.52 0.00 0.00 37.83 36.31 1f62 s LYS 8 CO 0.88 0.18 2.93 1.17 -0.92 0.00 0.00 175.35 179.60 1f62 n LYS 9 N 2.96 3.72 0.00 1.68 4.81 -1.26 -3.98 118.16 126.08 1f62 n LYS 9 Ca -0.15 -2.29 0.00 0.00 -0.87 0.00 0.00 58.31 55.00 1f62 n LYS 9 Cb 0.56 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1f62 n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f62 n GLY 10 N 3.29 -0.37 2.83 3.14 0.00 -1.26 -4.76 105.19 108.06 1f62 n GLY 10 Ca 0.75 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.25 3.48 -1.18 1.61 4.71 -1.26 -4.86 120.64 120.89 1f62 n GLU 11 Ca 0.00 -3.34 -0.38 0.00 -0.01 0.00 0.00 57.16 53.43 1f62 n GLU 11 Cb 0.00 -2.99 -0.04 0.00 -1.01 0.00 0.00 31.44 27.40 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 4.26 3.71 0.00 1.62 9.92 -1.26 -4.49 116.55 130.31 1f62 n ASP 12 Ca 0.42 -2.62 0.00 0.00 -0.53 0.00 0.00 54.79 52.06 1f62 n ASP 12 Cb 0.37 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 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 6.23 0.00 -3.06 -2.24 2.03 -1.26 -4.88 116.55 113.37 1f62 n ASP 13 Ca 0.51 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.63 1f62 n ASP 13 Cb 0.33 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 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 -1.15 0.71 -2.43 -0.67 5.02 -1.26 -5.08 118.16 113.29 1f62 n LYS 14 Ca 0.00 -2.77 -0.43 0.00 -2.02 0.00 0.00 58.31 53.10 1f62 n LYS 14 Cb 0.00 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1f62 s LEU 15 N -0.96 4.24 -0.63 -0.35 1.02 -1.26 -4.16 118.68 116.59 1f62 s LEU 15 Ca 0.34 1.78 -0.28 0.00 0.02 0.00 0.00 54.13 55.99 1f62 s LEU 15 Cb 0.18 -3.55 0.02 0.00 0.02 0.00 0.00 46.19 42.86 1f62 s LEU 15 CO -0.15 -0.66 1.31 -0.51 0.02 0.00 0.00 176.35 176.35 1f62 s ILE 16 N 2.76 3.83 0.52 -0.59 2.07 0.51 -4.89 121.20 125.40 1f62 s ILE 16 Ca 0.56 0.65 -0.18 0.00 -1.41 0.00 0.00 60.65 60.27 1f62 s ILE 16 Cb -0.24 -4.68 -0.07 0.00 0.13 0.00 0.00 42.46 37.60 1f62 s ILE 16 CO 0.19 -1.45 1.02 -0.76 -1.91 0.00 0.00 174.94 172.03 1f62 s LEU 17 N 5.68 3.68 -0.18 8.50 1.43 -1.26 -1.87 118.68 134.66 1f62 s LEU 17 Ca 0.44 1.76 -0.24 0.00 -1.03 0.00 0.00 54.13 55.06 1f62 s LEU 17 Cb -0.09 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 1f62 s LEU 17 CO 0.22 -0.80 0.75 0.00 0.23 0.00 0.00 176.35 176.75 1f62 h ASP 19 N 7.40 -0.90 0.47 0.00 3.58 -1.47 -1.67 116.42 123.83 1f62 h ASP 19 Ca -0.30 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 1f62 h ASP 19 Cb 1.13 0.35 -0.01 0.00 1.72 0.00 0.00 39.33 42.52 1f62 h ASP 19 CO 0.81 -0.39 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.07 1f62 h GLU 20 N -0.51 -0.80 0.00 0.28 5.08 -1.94 -3.35 114.58 113.34 1f62 h GLU 20 Ca 0.04 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1f62 h GLU 20 Cb 0.56 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1f62 h GLU 20 CO -0.21 -0.53 0.00 0.00 -1.00 0.00 0.00 179.01 177.27 1f62 n ASN 22 N -0.47 -7.79 -3.83 0.00 5.15 -0.63 -5.03 115.26 102.66 1f62 n ASN 22 Ca 0.00 0.14 -0.16 0.00 -0.60 0.00 0.00 54.58 53.96 1f62 n ASN 22 Cb 0.25 -5.25 -0.16 0.00 -0.53 0.00 0.00 39.78 34.10 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 -2.88 0.23 -0.14 1.20 -0.14 -1.25 -4.92 119.74 111.84 1f62 s LYS 23 Ca 0.10 0.05 -0.19 0.00 -1.36 0.00 0.00 55.97 54.57 1f62 s LYS 23 Cb -0.03 -0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 35.70 1f62 s LYS 23 CO 0.76 -0.10 0.51 0.00 -0.76 0.00 0.00 175.35 175.77 1f62 s ALA 24 N 0.79 3.48 0.05 5.17 0.00 -1.26 -1.02 121.76 128.97 1f62 s ALA 24 Ca -0.08 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1f62 s ALA 24 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1f62 s ALA 24 CO -0.02 -0.15 -0.09 -0.06 0.00 0.00 0.00 175.76 175.45 1f62 s PHE 25 N 0.96 0.79 0.37 0.00 0.40 -0.78 -0.58 117.98 119.14 1f62 s PHE 25 Ca 0.27 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 1f62 s PHE 25 Cb -0.15 -0.46 -0.07 0.00 0.51 0.00 0.00 43.02 42.84 1f62 s PHE 25 CO 0.11 -0.05 0.75 -1.01 0.70 0.00 0.00 175.22 175.71 1f62 s HIS 26 N -1.37 3.44 0.26 0.36 3.76 -1.26 -0.36 115.29 120.12 1f62 s HIS 26 Ca -0.08 1.08 -0.02 0.00 -0.15 0.00 0.00 55.06 55.89 1f62 s HIS 26 Cb -0.10 -2.46 0.44 0.00 1.11 0.00 0.00 32.58 31.57 1f62 s HIS 26 CO 0.01 -0.03 1.85 -0.07 -0.85 0.00 0.00 174.74 175.64 1f62 h LEU 27 N 1.59 0.90 -0.55 0.89 3.38 -1.89 -2.03 115.31 117.60 1f62 h LEU 27 Ca -0.47 0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.63 1f62 h LEU 27 Cb 1.18 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 1f62 h LEU 27 CO 0.64 0.53 -0.31 -0.26 0.09 0.00 0.00 178.44 179.14 1f62 h PHE 28 N 1.01 -0.83 -0.06 1.13 0.04 -1.84 0.04 116.94 116.43 1f62 h PHE 28 Ca 0.44 0.07 -0.11 0.00 2.80 0.00 0.00 57.97 61.16 1f62 h PHE 28 Cb 0.31 0.45 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 1f62 h PHE 28 CO -0.02 -0.37 -0.48 0.00 -0.60 0.00 0.00 178.31 176.84 1f62 h LEU 30 N 0.13 -0.10 -7.00 0.00 3.38 -1.21 -3.49 115.31 107.01 1f62 h LEU 30 Ca 0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1f62 h LEU 30 Cb 0.90 0.03 -0.28 0.00 0.09 0.00 0.00 40.66 41.40 1f62 h LEU 30 CO 0.07 -0.04 0.46 0.00 0.09 0.00 0.00 178.44 179.02 1f62 s ARG 31 N -2.44 0.36 0.61 1.13 1.70 -0.02 -5.06 118.95 115.22 1f62 s ARG 31 Ca -0.02 0.56 0.39 0.00 -0.47 0.00 0.00 55.73 56.19 1f62 s ARG 31 Cb 0.00 0.10 1.91 0.00 -0.57 0.00 0.00 34.95 36.39 1f62 s ARG 31 CO 0.05 -0.06 2.18 -1.00 -1.08 0.00 0.00 175.30 175.39 1f62 h PRO 32 N 5.40 0.00 -1.02 3.89 0.13 -1.66 -1.42 132.00 137.32 1f62 h PRO 32 Ca -0.28 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.12 1f62 h PRO 32 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1f62 h PRO 32 CO 0.18 0.00 0.70 0.00 -0.23 0.00 0.00 178.00 178.65 1f62 h ALA 33 N 2.00 2.59 -0.72 -0.56 0.00 -1.93 -3.30 119.26 117.33 1f62 h ALA 33 Ca -0.00 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 1f62 h ALA 33 Cb 0.25 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1f62 h ALA 33 CO 0.00 -0.92 0.78 -0.51 0.00 0.00 0.00 179.25 178.60 1f62 s LEU 34 N -9.04 3.17 0.04 0.00 1.43 -0.53 -4.78 118.68 108.97 1f62 s LEU 34 Ca -0.07 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 1f62 s LEU 34 Cb 0.23 -2.56 -0.19 0.00 0.03 0.00 0.00 46.19 43.70 1f62 s LEU 34 CO 0.79 -2.71 1.21 1.88 0.23 0.00 0.00 176.35 177.75 1f62 h TYR 35 N 11.16 0.74 -1.16 0.29 0.05 -1.87 -3.43 116.97 122.75 1f62 h TYR 35 Ca 0.11 -0.34 -0.56 0.00 0.05 0.00 0.00 58.73 57.98 1f62 h TYR 35 Cb 1.00 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.57 1f62 h TYR 35 CO 1.22 1.14 -0.41 -1.21 -1.05 0.00 0.00 178.16 177.85 1f62 s GLU 36 N -3.59 2.29 0.01 4.88 0.41 -1.26 -5.09 118.70 116.35 1f62 s GLU 36 Ca -0.12 -1.88 -0.27 0.00 -0.41 0.00 0.00 54.97 52.29 1f62 s GLU 36 Cb 0.06 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.29 1f62 s GLU 36 CO 0.84 -0.31 0.85 0.08 -0.49 0.00 0.00 175.26 176.23 1f62 s VAL 37 N -2.65 4.83 -1.13 2.63 1.01 -1.26 -4.99 120.40 118.84 1f62 s VAL 37 Ca 0.38 1.80 -0.17 0.00 0.00 0.00 0.00 61.98 63.99 1f62 s VAL 37 Cb 0.00 -4.20 0.12 0.00 0.00 0.00 0.00 36.38 32.31 1f62 s VAL 37 CO 0.22 0.26 1.42 -2.16 0.00 0.00 0.00 175.10 174.83 1f62 s PRO 38 N 0.55 3.87 -1.02 2.72 0.04 -1.26 -4.90 135.00 135.00 1f62 s PRO 38 Ca 0.44 -2.04 -0.14 0.00 0.04 0.00 0.00 61.00 59.30 1f62 s PRO 38 Cb -0.20 -5.16 -0.08 0.00 0.04 0.00 0.00 34.50 29.09 1f62 s PRO 38 CO 0.25 -1.93 2.13 -0.25 0.04 0.00 0.00 177.00 177.24 1f62 n ASP 39 N 6.90 4.10 0.07 6.66 8.00 -1.26 -3.11 116.55 137.91 1f62 n ASP 39 Ca 0.35 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 53.27 1f62 n ASP 39 Cb 0.46 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.32 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 4.13 -1.84 2.30 0.44 0.00 -1.26 -4.90 105.19 104.06 1f62 n GLY 40 Ca 0.51 0.47 -0.27 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.70 2.89 -2.06 1.61 1.02 -1.20 -4.84 120.64 115.36 1f62 n GLU 41 Ca 0.00 -2.10 -0.41 0.00 -0.02 0.00 0.00 57.16 54.63 1f62 n GLU 41 Cb 0.00 -2.29 -0.00 0.00 -0.02 0.00 0.00 31.44 29.12 1f62 n GLU 41 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1f62 n TRP 42 N 1.99 2.72 -4.40 -0.32 -0.00 -1.18 -4.87 117.44 111.38 1f62 n TRP 42 Ca 0.54 -2.83 -0.23 0.00 -0.00 0.00 0.00 57.50 54.98 1f62 n TRP 42 Cb 0.56 -1.94 -0.08 0.00 -0.00 0.00 0.00 31.31 29.85 1f62 n TRP 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1f62 n GLN 43 N 2.75 0.50 -4.41 5.87 10.64 -1.26 -1.11 117.38 130.35 1f62 n GLN 43 Ca 0.55 -3.43 -0.25 0.00 -1.83 0.00 0.00 57.00 52.04 1f62 n GLN 43 Cb 0.29 2.30 -0.10 0.00 -0.86 0.00 0.00 30.24 31.87 1f62 n GLN 43 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1f62 h PRO 45 N 2.58 0.00 -0.02 0.00 0.11 -1.98 -2.13 132.00 130.56 1f62 h PRO 45 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1f62 h PRO 45 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1f62 h PRO 45 CO 0.56 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 177.98 1f62 h ALA 46 N 1.65 1.36 0.33 -0.75 0.00 -1.99 -1.69 119.26 118.18 1f62 h ALA 46 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1f62 h ALA 46 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1f62 h ALA 46 CO -0.00 0.47 -0.16 0.00 0.00 0.00 0.00 179.25 179.57 1f62 s GLN 48 N -3.35 0.99 0.90 0.00 2.00 -1.13 -5.10 119.66 113.95 1f62 s GLN 48 Ca -0.09 -1.64 -0.13 0.00 -2.00 0.00 0.00 55.36 51.50 1f62 s GLN 48 Cb 0.01 -2.02 0.13 0.00 0.80 0.00 0.00 33.01 31.93 1f62 s GLN 48 CO 0.31 -1.13 1.18 -1.25 -0.50 0.00 0.00 175.29 173.89 1f62 s PRO 49 N 0.80 1.25 0.38 1.67 0.04 -0.65 -4.34 135.00 134.16 1f62 s PRO 49 Ca 0.16 0.11 -0.27 0.00 0.04 0.00 0.00 61.00 61.04 1f62 s PRO 49 Cb -0.23 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1f62 s PRO 49 CO -0.05 -2.08 1.29 0.00 0.04 0.00 0.00 177.00 176.19 1f62 s ALA 50 N -3.46 3.31 0.00 8.56 0.00 -1.26 -5.07 121.76 123.84 1f62 s ALA 50 Ca 0.65 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1f62 s ALA 50 Cb -0.12 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1f62 s ALA 50 CO 0.52 -0.73 0.00 2.41 0.00 0.00 0.00 175.76 177.96