#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 3.14 0.23 0.00 6.06 -1.26 -4.74 118.95 122.39 1f62 s ARG 2 Ca 0.00 -0.67 -0.30 0.00 -2.50 0.00 0.00 55.73 52.26 1f62 s ARG 2 Cb 0.00 -5.11 -0.09 0.00 0.06 0.00 0.00 34.95 29.80 1f62 s ARG 2 CO 0.00 -2.65 1.33 0.00 -2.50 0.00 0.00 175.30 171.48 1f62 h LYS 4 N 4.91 0.00 0.00 0.00 1.79 -1.55 0.13 116.57 121.86 1f62 h LYS 4 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1f62 h LYS 4 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1f62 h LYS 4 CO 0.75 0.32 0.00 0.28 -1.08 0.00 0.00 179.45 179.72 1f62 n VAL 5 N -3.73 0.00 0.17 0.50 0.31 -1.26 -4.47 118.33 109.85 1f62 n VAL 5 Ca -0.01 0.72 0.06 0.00 -0.01 0.00 0.00 64.34 65.10 1f62 n VAL 5 Cb 0.42 -1.45 0.13 0.00 -0.91 0.00 0.00 33.84 32.03 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 -3.23 -4.55 -3.48 0.00 1.74 0.46 -4.93 116.66 102.68 1f62 n ARG 7 Ca 0.02 0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 57.54 1f62 n ARG 7 Cb 0.64 -5.11 -0.02 0.00 -1.02 0.00 0.00 32.46 26.95 1f62 n ARG 7 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1f62 s LYS 8 N -6.39 0.98 -0.31 5.56 2.20 -1.26 -4.94 119.74 115.57 1f62 s LYS 8 Ca 0.26 -0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 55.25 1f62 s LYS 8 Cb -0.14 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 1f62 s LYS 8 CO 0.85 -0.43 1.70 0.21 -0.36 0.00 0.00 175.35 177.32 1f62 s LYS 9 N -3.24 3.49 0.00 4.03 2.20 -1.26 -4.50 119.74 120.45 1f62 s LYS 9 Ca 0.03 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 1f62 s LYS 9 Cb -0.01 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 1f62 s LYS 9 CO -0.10 -1.67 0.00 0.41 -0.36 0.00 0.00 175.35 173.63 1f62 n GLY 10 N 5.19 1.90 3.27 5.54 0.00 -1.26 -4.94 105.19 114.89 1f62 n GLY 10 Ca 0.21 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 2.48 -1.56 1.61 4.71 -1.26 -4.86 120.64 121.76 1f62 n GLU 11 Ca 0.00 -2.68 -0.41 0.00 -0.01 0.00 0.00 57.16 54.07 1f62 n GLU 11 Cb 0.00 -3.39 -0.01 0.00 -1.01 0.00 0.00 31.44 27.03 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 8.84 5.29 0.03 1.62 9.92 -1.26 -4.03 116.55 136.96 1f62 n ASP 12 Ca 0.49 -2.74 0.00 0.00 -0.53 0.00 0.00 54.79 52.01 1f62 n ASP 12 Cb 0.43 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.32 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 5.37 0.58 -3.34 -2.24 2.03 -1.26 -4.85 116.55 112.84 1f62 n ASP 13 Ca 0.60 0.08 -0.26 0.00 0.52 0.00 0.00 54.79 55.73 1f62 n ASP 13 Cb 0.34 -0.17 -0.08 0.00 -0.72 0.00 0.00 41.12 40.49 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 -3.26 1.78 -1.43 -0.67 4.76 -1.26 -5.10 118.16 112.98 1f62 n LYS 14 Ca 0.00 -4.08 -0.32 0.00 -2.87 0.00 0.00 58.31 51.04 1f62 n LYS 14 Cb 0.23 -1.84 0.08 0.00 -1.84 0.00 0.00 35.03 31.66 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 -1.93 3.16 -0.18 -0.35 1.02 -1.26 -3.96 118.68 115.18 1f62 s LEU 15 Ca 0.38 1.88 -0.10 0.00 0.02 0.00 0.00 54.13 56.31 1f62 s LEU 15 Cb 0.15 -4.53 0.06 0.00 0.02 0.00 0.00 46.19 41.89 1f62 s LEU 15 CO -0.05 -1.89 0.44 -0.51 0.02 0.00 0.00 176.35 174.36 1f62 s ILE 16 N -2.71 -0.02 0.13 -0.59 2.07 -0.07 -4.97 121.20 115.04 1f62 s ILE 16 Ca 0.63 0.08 -0.21 0.00 -1.41 0.00 0.00 60.65 59.74 1f62 s ILE 16 Cb -0.18 -0.65 -0.07 0.00 0.13 0.00 0.00 42.46 41.68 1f62 s ILE 16 CO 0.51 0.03 0.66 -0.76 -1.91 0.00 0.00 174.94 173.47 1f62 s LEU 17 N 1.34 4.51 0.13 8.50 1.02 -1.26 -0.88 118.68 132.03 1f62 s LEU 17 Ca -0.09 1.41 -0.31 0.00 0.02 0.00 0.00 54.13 55.16 1f62 s LEU 17 Cb -0.08 -3.17 -0.08 0.00 0.02 0.00 0.00 46.19 42.89 1f62 s LEU 17 CO -0.13 0.20 1.34 0.00 0.02 0.00 0.00 176.35 177.78 1f62 h ASP 19 N 6.38 0.02 0.03 0.00 3.32 -1.42 -0.66 116.42 124.09 1f62 h ASP 19 Ca -0.43 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1f62 h ASP 19 Cb 1.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1f62 h ASP 19 CO 0.83 0.19 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.45 1f62 h GLU 20 N -0.15 -0.04 -0.04 3.56 4.81 -1.93 -3.36 114.58 117.42 1f62 h GLU 20 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1f62 h GLU 20 Cb 0.18 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1f62 h GLU 20 CO -0.00 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 178.61 1f62 n ASN 22 N 0.01 -6.08 -4.27 0.00 5.15 -0.25 -4.99 115.26 104.82 1f62 n ASN 22 Ca 0.02 -0.80 -0.33 0.00 -0.60 0.00 0.00 54.58 52.87 1f62 n ASN 22 Cb 0.17 -4.21 -0.16 0.00 -0.53 0.00 0.00 39.78 35.05 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 -5.03 3.19 0.10 1.20 1.02 -1.25 -4.88 119.74 114.08 1f62 s LYS 23 Ca 0.41 -0.79 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 1f62 s LYS 23 Cb -0.10 -2.49 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1f62 s LYS 23 CO 0.80 0.14 1.36 0.00 -0.92 0.00 0.00 175.35 176.73 1f62 s ALA 24 N 0.49 3.56 0.17 5.17 0.00 -1.26 -1.34 121.76 128.55 1f62 s ALA 24 Ca -0.12 1.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 1f62 s ALA 24 Cb -0.17 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1f62 s ALA 24 CO 0.05 -0.60 0.22 -0.06 0.00 0.00 0.00 175.76 175.37 1f62 s PHE 25 N 1.17 0.62 0.25 0.00 0.40 -0.06 -1.25 117.98 119.11 1f62 s PHE 25 Ca 0.64 -0.97 0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1f62 s PHE 25 Cb -0.35 -0.22 -0.03 0.00 0.51 0.00 0.00 43.02 42.93 1f62 s PHE 25 CO 0.30 -0.68 0.26 -1.01 0.70 0.00 0.00 175.22 174.79 1f62 s HIS 26 N -4.02 3.24 0.19 0.36 3.76 -1.26 -0.89 115.29 116.67 1f62 s HIS 26 Ca 0.23 -0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.90 1f62 s HIS 26 Cb 0.05 -1.47 0.16 0.00 1.11 0.00 0.00 32.58 32.42 1f62 s HIS 26 CO 0.03 0.49 1.64 -0.07 -0.85 0.00 0.00 174.74 175.98 1f62 h LEU 27 N 1.36 -0.57 -0.25 0.89 3.38 -1.84 -1.16 115.31 117.11 1f62 h LEU 27 Ca -0.50 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 1f62 h LEU 27 Cb 1.24 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1f62 h LEU 27 CO 0.61 -0.20 -0.11 -0.26 0.09 0.00 0.00 178.44 178.57 1f62 h PHE 28 N -0.04 0.60 0.00 1.13 0.04 -1.77 -3.06 116.94 113.83 1f62 h PHE 28 Ca 0.24 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1f62 h PHE 28 Cb 0.41 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1f62 h PHE 28 CO -0.46 0.78 -0.33 0.00 -0.60 0.00 0.00 178.31 177.70 1f62 h LEU 30 N 0.00 -0.18 -7.47 0.00 3.38 -1.14 -3.47 115.31 106.43 1f62 h LEU 30 Ca -0.00 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1f62 h LEU 30 Cb 0.65 0.05 -0.27 0.00 0.09 0.00 0.00 40.66 41.17 1f62 h LEU 30 CO 0.04 -0.12 -0.47 -0.13 0.09 0.00 0.00 178.44 177.85 1f62 s ARG 31 N -3.45 0.24 0.18 1.13 0.52 -1.14 -4.48 118.95 111.96 1f62 s ARG 31 Ca -0.03 0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 55.44 1f62 s ARG 31 Cb 0.00 0.05 0.08 0.00 0.52 0.00 0.00 34.95 35.61 1f62 s ARG 31 CO 0.09 -0.07 1.68 -1.00 0.02 0.00 0.00 175.30 176.02 1f62 h PRO 32 N 6.19 1.03 0.00 3.54 0.13 -1.82 -1.44 132.00 139.63 1f62 h PRO 32 Ca -0.30 -0.27 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1f62 h PRO 32 Cb 1.18 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1f62 h PRO 32 CO 0.37 0.95 -0.16 0.00 -0.23 0.00 0.00 178.00 178.94 1f62 h ALA 33 N 1.03 1.37 -0.87 -0.56 0.00 -1.91 -3.38 119.26 114.95 1f62 h ALA 33 Ca 0.19 -0.14 -0.70 0.00 0.00 0.00 0.00 54.91 54.26 1f62 h ALA 33 Cb 0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1f62 h ALA 33 CO 0.01 0.20 2.20 -0.11 0.00 0.00 0.00 179.25 181.54 1f62 n LEU 34 N -3.81 5.44 -0.06 0.00 7.94 -0.54 -4.67 117.00 121.30 1f62 n LEU 34 Ca -0.02 -4.11 -0.15 0.00 -1.11 0.00 0.00 56.01 50.62 1f62 n LEU 34 Cb 0.26 -1.69 -0.06 0.00 0.53 0.00 0.00 43.42 42.45 1f62 n LEU 34 CO 0.32 0.51 0.43 1.88 -1.11 0.00 0.00 177.39 179.42 1f62 h TYR 35 N 7.10 0.86 -2.06 1.96 0.05 -1.80 -3.23 116.97 119.84 1f62 h TYR 35 Ca 0.44 -0.33 -0.43 0.00 0.05 0.00 0.00 58.73 58.46 1f62 h TYR 35 Cb 0.81 -0.15 0.03 0.00 1.01 0.00 0.00 36.73 38.43 1f62 h TYR 35 CO 1.36 1.11 -0.17 -1.21 -1.05 0.00 0.00 178.16 178.20 1f62 s GLU 36 N -3.98 2.80 0.24 4.88 0.41 -1.26 -4.75 118.70 117.03 1f62 s GLU 36 Ca -0.12 -0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 53.20 1f62 s GLU 36 Cb 0.08 -2.64 -0.10 0.00 -1.78 0.00 0.00 34.13 29.68 1f62 s GLU 36 CO 0.85 -0.38 1.42 0.08 -0.49 0.00 0.00 175.26 176.73 1f62 s VAL 37 N -2.50 2.75 0.28 2.63 1.01 -1.26 -4.95 120.40 118.36 1f62 s VAL 37 Ca 0.53 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1f62 s VAL 37 Cb -0.10 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1f62 s VAL 37 CO 0.35 0.10 0.51 -2.16 0.00 0.00 0.00 175.10 173.90 1f62 s PRO 38 N -0.31 3.56 -0.48 2.72 0.04 -1.26 -5.07 135.00 134.20 1f62 s PRO 38 Ca 0.59 -0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.51 1f62 s PRO 38 Cb -0.41 -2.70 0.21 0.00 0.04 0.00 0.00 34.50 31.64 1f62 s PRO 38 CO 0.42 0.24 0.48 -0.25 0.04 0.00 0.00 177.00 177.93 1f62 n ASP 39 N -1.11 0.86 0.00 6.66 8.00 -1.26 -5.05 116.55 124.65 1f62 n ASP 39 Ca -0.03 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.71 1f62 n ASP 39 Cb 0.54 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 1.97 2.02 3.55 0.44 0.00 -1.26 -5.08 105.19 106.83 1f62 n GLY 40 Ca 0.26 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 3.38 2.84 -1.45 1.61 2.02 -1.26 -4.90 118.70 120.94 1f62 s GLU 41 Ca 0.00 0.01 -0.13 0.00 0.02 0.00 0.00 54.97 54.87 1f62 s GLU 41 Cb 0.00 -4.62 0.04 0.00 0.10 0.00 0.00 34.13 29.66 1f62 s GLU 41 CO 0.00 -2.70 2.26 0.91 0.02 0.00 0.00 175.26 175.75 1f62 n TRP 42 N 11.88 3.33 -3.66 1.61 8.01 -1.26 -4.94 117.44 132.41 1f62 n TRP 42 Ca 0.23 -2.96 -0.36 0.00 -1.31 0.00 0.00 57.50 53.09 1f62 n TRP 42 Cb 0.50 -2.46 -0.07 0.00 -2.01 0.00 0.00 31.31 27.27 1f62 n TRP 42 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1f62 s GLN 43 N 2.65 3.99 0.64 -0.99 -0.21 -1.26 -0.97 119.66 123.51 1f62 s GLN 43 Ca 0.49 0.02 -0.10 0.00 0.02 0.00 0.00 55.36 55.78 1f62 s GLN 43 Cb 0.14 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 1f62 s GLN 43 CO -0.07 0.45 1.03 0.00 -2.12 0.00 0.00 175.29 174.58 1f62 h PRO 45 N -0.41 0.01 0.14 0.00 0.11 -1.78 -1.44 132.00 128.63 1f62 h PRO 45 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1f62 h PRO 45 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1f62 h PRO 45 CO 0.63 0.01 -0.07 0.00 -0.21 0.00 0.00 178.00 178.35 1f62 h ALA 46 N 1.28 -0.19 0.01 -0.75 0.00 -1.93 -2.79 119.26 114.90 1f62 h ALA 46 Ca 0.91 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.58 1f62 h ALA 46 Cb 3.32 0.07 0.00 0.00 0.00 0.00 0.00 17.79 21.18 1f62 h ALA 46 CO -0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 179.25 178.73 1f62 s GLN 48 N -1.87 3.90 0.42 0.00 0.74 -0.58 -5.03 119.66 117.25 1f62 s GLN 48 Ca -0.07 0.15 -0.22 0.00 0.05 0.00 0.00 55.36 55.28 1f62 s GLN 48 Cb -0.01 -3.71 -0.14 0.00 1.10 0.00 0.00 33.01 30.25 1f62 s GLN 48 CO 0.25 -0.47 0.31 -2.30 -0.55 0.00 0.00 175.29 172.53 1f62 n PRO 49 N 5.65 0.27 -1.47 1.67 -0.02 -1.24 -3.37 135.00 136.49 1f62 n PRO 49 Ca -0.04 0.10 -0.50 0.00 -2.02 0.00 0.00 63.50 61.04 1f62 n PRO 49 Cb 0.49 -1.26 -0.07 0.00 -0.02 0.00 0.00 33.50 32.65 1f62 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f62 n ALA 50 N -0.98 1.14 -1.71 3.55 0.00 -1.05 -4.72 120.51 116.74 1f62 n ALA 50 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1f62 n ALA 50 Cb 0.40 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1f62 n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91