#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 0.73 0.42 0.00 6.06 -1.26 -5.08 118.95 119.82 1f62 s ARG 2 Ca 0.00 0.53 -0.25 0.00 -2.50 0.00 0.00 55.73 53.51 1f62 s ARG 2 Cb 0.00 0.35 -0.08 0.00 0.06 0.00 0.00 34.95 35.28 1f62 s ARG 2 CO 0.00 -0.14 1.18 0.00 -2.50 0.00 0.00 175.30 173.84 1f62 h LYS 4 N 2.45 -0.68 0.00 0.00 3.11 -1.42 -3.07 116.57 116.96 1f62 h LYS 4 Ca -0.49 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 1f62 h LYS 4 Cb 1.24 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.62 1f62 h LYS 4 CO 0.62 -0.38 0.00 0.28 -2.81 0.00 0.00 179.45 177.16 1f62 n VAL 5 N -5.29 0.00 0.04 2.00 0.31 -1.26 -4.10 118.33 110.02 1f62 n VAL 5 Ca -0.11 1.17 -0.20 0.00 -0.01 0.00 0.00 64.34 65.19 1f62 n VAL 5 Cb 0.32 -2.16 -0.11 0.00 -0.91 0.00 0.00 33.84 30.98 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 -3.95 -5.09 -4.42 0.00 0.63 -1.16 -5.03 116.66 97.64 1f62 n ARG 7 Ca -0.11 0.65 -0.27 0.00 -0.92 0.00 0.00 57.85 57.20 1f62 n ARG 7 Cb 0.84 -5.25 -0.11 0.00 0.45 0.00 0.00 32.46 28.38 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 -5.90 1.57 0.47 -0.14 1.02 -1.26 -4.96 119.74 110.54 1f62 s LYS 8 Ca 0.00 -1.53 0.03 0.00 0.02 0.00 0.00 55.97 54.49 1f62 s LYS 8 Cb -0.00 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1f62 s LYS 8 CO 0.80 0.40 0.01 -1.59 -0.92 0.00 0.00 175.35 174.04 1f62 s LYS 9 N -2.76 2.11 0.00 1.68 -2.85 -1.26 -4.66 119.74 112.00 1f62 s LYS 9 Ca 0.22 -2.29 0.00 0.00 -1.00 0.00 0.00 55.97 52.90 1f62 s LYS 9 Cb -0.08 -1.57 0.00 0.00 -2.06 0.00 0.00 37.83 34.12 1f62 s LYS 9 CO 0.11 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.72 1f62 n GLY 10 N -1.16 3.11 1.96 0.59 0.00 -1.26 -4.89 105.19 103.54 1f62 n GLY 10 Ca -0.14 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 1.56 -1.43 1.61 0.00 -1.26 -4.77 120.64 116.35 1f62 n GLU 11 Ca 0.00 -0.69 -0.39 0.00 0.00 0.00 0.00 57.16 56.08 1f62 n GLU 11 Cb 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 31.44 29.67 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 2.36 5.24 -0.03 -1.84 8.00 -1.26 -4.32 116.55 124.70 1f62 n ASP 12 Ca 0.30 -2.69 -0.08 0.00 0.71 0.00 0.00 54.79 53.03 1f62 n ASP 12 Cb 0.72 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.30 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 5.36 0.56 -2.87 -2.24 2.03 -1.26 -4.97 116.55 113.17 1f62 n ASP 13 Ca 0.59 0.10 -0.10 0.00 0.52 0.00 0.00 54.79 55.89 1f62 n ASP 13 Cb 0.32 -0.23 0.01 0.00 -0.72 0.00 0.00 41.12 40.50 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 -3.35 0.62 -2.43 -0.67 -0.00 -1.26 -5.06 118.16 106.00 1f62 n LYS 14 Ca -0.14 -2.16 -0.38 0.00 -0.00 0.00 0.00 58.31 55.64 1f62 n LYS 14 Cb 0.57 -1.46 -0.03 0.00 -0.00 0.00 0.00 35.03 34.11 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1f62 s LEU 15 N -0.05 3.45 -0.05 -5.58 2.01 -1.26 -3.72 118.68 113.48 1f62 s LEU 15 Ca 0.32 -1.42 -0.30 0.00 0.01 0.00 0.00 54.13 52.74 1f62 s LEU 15 Cb 0.11 -2.57 -0.05 0.00 0.01 0.00 0.00 46.19 43.70 1f62 s LEU 15 CO -0.15 -1.81 1.49 -0.51 1.01 0.00 0.00 176.35 176.37 1f62 s ILE 16 N 6.29 3.74 0.03 -0.59 2.07 0.55 -4.78 121.20 128.51 1f62 s ILE 16 Ca 0.53 1.00 -0.18 0.00 -1.41 0.00 0.00 60.65 60.59 1f62 s ILE 16 Cb -0.01 -3.65 -0.06 0.00 0.13 0.00 0.00 42.46 38.87 1f62 s ILE 16 CO -0.05 -0.05 0.53 -0.76 -1.91 0.00 0.00 174.94 172.70 1f62 s LEU 17 N 3.29 4.48 -0.04 8.50 1.02 -1.26 -0.83 118.68 133.84 1f62 s LEU 17 Ca 0.66 1.14 -0.30 0.00 0.02 0.00 0.00 54.13 55.65 1f62 s LEU 17 Cb -0.31 -2.81 -0.05 0.00 0.02 0.00 0.00 46.19 43.04 1f62 s LEU 17 CO 0.25 0.24 1.48 0.00 0.02 0.00 0.00 176.35 178.34 1f62 h ASP 19 N 8.46 0.32 0.70 0.00 5.19 -1.60 0.11 116.42 129.60 1f62 h ASP 19 Ca -0.37 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 1f62 h ASP 19 Cb 1.17 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.68 1f62 h ASP 19 CO 0.93 0.21 -0.34 -0.33 -3.12 0.00 0.00 179.24 176.59 1f62 h GLU 20 N 0.47 -0.90 -0.12 3.56 5.08 -1.92 -3.36 114.58 117.39 1f62 h GLU 20 Ca 0.26 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1f62 h GLU 20 Cb 0.24 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1f62 h GLU 20 CO -0.22 -0.60 0.00 0.00 -1.00 0.00 0.00 179.01 177.19 1f62 n ASN 22 N 0.53 -5.69 -4.08 0.00 2.85 0.02 -5.01 115.26 103.89 1f62 n ASN 22 Ca 0.08 -0.64 -0.31 0.00 -0.11 0.00 0.00 54.58 53.60 1f62 n ASN 22 Cb 0.31 -4.83 -0.16 0.00 1.24 0.00 0.00 39.78 36.34 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 -4.41 2.57 0.11 1.20 -0.14 -1.25 -4.89 119.74 112.93 1f62 s LYS 23 Ca 0.36 -0.67 -0.30 0.00 -1.36 0.00 0.00 55.97 54.00 1f62 s LYS 23 Cb -0.05 -2.23 -0.06 0.00 -1.68 0.00 0.00 37.83 33.82 1f62 s LYS 23 CO 0.68 -0.16 0.95 0.00 -0.76 0.00 0.00 175.35 176.06 1f62 s ALA 24 N 1.23 3.25 0.01 5.17 0.00 -1.26 -1.43 121.76 128.73 1f62 s ALA 24 Ca 0.01 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1f62 s ALA 24 Cb -0.14 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1f62 s ALA 24 CO -0.08 -0.01 0.35 -0.06 0.00 0.00 0.00 175.76 175.96 1f62 s PHE 25 N -0.05 -0.21 0.40 0.00 0.40 -0.01 -0.92 117.98 117.59 1f62 s PHE 25 Ca 0.46 0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.99 1f62 s PHE 25 Cb -0.23 0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.39 1f62 s PHE 25 CO 0.30 -0.47 0.70 -1.01 0.70 0.00 0.00 175.22 175.44 1f62 s HIS 26 N -1.81 3.52 0.37 0.36 3.76 -1.26 -0.33 115.29 119.89 1f62 s HIS 26 Ca -0.10 0.75 0.04 0.00 -0.15 0.00 0.00 55.06 55.60 1f62 s HIS 26 Cb -0.03 -2.22 0.70 0.00 1.11 0.00 0.00 32.58 32.14 1f62 s HIS 26 CO 0.02 -0.08 2.02 -0.07 -0.85 0.00 0.00 174.74 175.77 1f62 h LEU 27 N 0.82 0.65 -0.03 0.89 3.38 -1.88 0.65 115.31 119.79 1f62 h LEU 27 Ca -0.48 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.51 1f62 h LEU 27 Cb 1.20 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1f62 h LEU 27 CO 0.63 0.47 -0.39 -0.26 0.09 0.00 0.00 178.44 178.98 1f62 h PHE 28 N 0.77 -1.08 0.00 1.13 0.04 -1.82 -1.23 116.94 114.75 1f62 h PHE 28 Ca 0.22 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.87 1f62 h PHE 28 Cb -0.07 0.48 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1f62 h PHE 28 CO -0.00 -0.46 -0.73 0.00 -0.60 0.00 0.00 178.31 176.51 1f62 h LEU 30 N 0.00 -0.18 -6.00 0.00 6.46 -0.87 -3.48 115.31 111.25 1f62 h LEU 30 Ca -0.01 0.01 0.20 0.00 -0.12 0.00 0.00 57.88 57.96 1f62 h LEU 30 Cb 1.30 0.05 -0.21 0.00 -0.73 0.00 0.00 40.66 41.07 1f62 h LEU 30 CO 0.10 -0.12 0.03 -0.60 -0.62 0.00 0.00 178.44 177.22 1f62 s ARG 31 N -3.38 0.27 0.41 1.25 3.52 -0.47 -4.68 118.95 115.88 1f62 s ARG 31 Ca -0.03 0.46 0.08 0.00 -0.13 0.00 0.00 55.73 56.11 1f62 s ARG 31 Cb 0.00 0.25 0.88 0.00 -1.56 0.00 0.00 34.95 34.52 1f62 s ARG 31 CO 0.09 -0.32 2.04 -1.00 -0.81 0.00 0.00 175.30 175.31 1f62 h PRO 32 N 7.94 0.46 -0.94 5.12 0.13 -1.58 -0.95 132.00 142.18 1f62 h PRO 32 Ca -0.15 -0.04 0.23 0.00 -0.87 0.00 0.00 66.00 65.17 1f62 h PRO 32 Cb 1.17 -0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.08 1f62 h PRO 32 CO -0.02 0.34 0.48 0.00 -0.23 0.00 0.00 178.00 178.57 1f62 h ALA 33 N 1.74 1.58 -0.80 -0.56 0.00 -1.91 -2.67 119.26 116.65 1f62 h ALA 33 Ca 0.12 0.14 -0.62 0.00 0.00 0.00 0.00 54.91 54.55 1f62 h ALA 33 Cb 0.01 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1f62 h ALA 33 CO -0.02 -0.30 2.02 -0.51 0.00 0.00 0.00 179.25 180.44 1f62 s LEU 34 N -10.42 3.71 0.11 0.00 2.01 -0.36 -4.70 118.68 109.03 1f62 s LEU 34 Ca -0.11 -2.31 -0.14 0.00 0.01 0.00 0.00 54.13 51.58 1f62 s LEU 34 Cb 0.26 -2.58 -0.07 0.00 0.01 0.00 0.00 46.19 43.81 1f62 s LEU 34 CO 0.79 -1.49 1.44 1.88 1.01 0.00 0.00 176.35 179.97 1f62 h TYR 35 N 7.94 0.93 -4.44 0.29 0.05 -1.69 -3.42 116.97 116.63 1f62 h TYR 35 Ca 0.41 -0.28 -0.49 0.00 0.05 0.00 0.00 58.73 58.43 1f62 h TYR 35 Cb 0.88 -0.20 0.08 0.00 1.01 0.00 0.00 36.73 38.51 1f62 h TYR 35 CO 1.39 1.05 0.40 -1.21 -1.05 0.00 0.00 178.16 178.74 1f62 s GLU 36 N -4.38 2.69 0.36 4.88 8.01 -1.26 -4.96 118.70 124.03 1f62 s GLU 36 Ca -0.12 0.35 -0.27 0.00 0.01 0.00 0.00 54.97 54.94 1f62 s GLU 36 Cb 0.09 -2.03 -0.09 0.00 -4.31 0.00 0.00 34.13 27.79 1f62 s GLU 36 CO 0.85 -1.12 1.27 0.08 0.01 0.00 0.00 175.26 176.34 1f62 s VAL 37 N -3.37 2.81 -0.76 2.63 1.01 -1.26 -4.96 120.40 116.49 1f62 s VAL 37 Ca 0.59 0.76 -0.27 0.00 0.00 0.00 0.00 61.98 63.06 1f62 s VAL 37 Cb -0.11 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1f62 s VAL 37 CO 0.51 0.14 1.33 -2.16 0.00 0.00 0.00 175.10 174.93 1f62 s PRO 38 N -1.99 3.19 -1.37 2.72 0.04 -1.26 -4.91 135.00 131.42 1f62 s PRO 38 Ca 0.52 -0.27 -0.08 0.00 0.04 0.00 0.00 61.00 61.21 1f62 s PRO 38 Cb -0.37 -4.31 -0.05 0.00 0.04 0.00 0.00 34.50 29.81 1f62 s PRO 38 CO 0.49 -2.20 2.89 -0.25 0.04 0.00 0.00 177.00 177.96 1f62 n ASP 39 N 9.56 8.22 0.00 6.66 8.00 -1.26 -3.63 116.55 144.11 1f62 n ASP 39 Ca 0.07 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1f62 n ASP 39 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 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 2.96 -2.08 2.74 0.44 0.00 -1.26 -4.99 105.19 103.00 1f62 n GLY 40 Ca 0.71 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.99 1f62 n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f62 n GLU 41 N -1.73 3.46 -1.73 1.61 0.00 -1.25 -4.89 120.64 116.11 1f62 n GLU 41 Ca 0.00 -3.11 -0.34 0.00 0.00 0.00 0.00 57.16 53.71 1f62 n GLU 41 Cb 0.00 -3.01 -0.06 0.00 0.00 0.00 0.00 31.44 28.37 1f62 n GLU 41 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1f62 n TRP 42 N 4.40 2.43 -4.12 -1.84 8.01 -1.24 -4.80 117.44 120.29 1f62 n TRP 42 Ca 0.49 -1.60 -0.10 0.00 -1.31 0.00 0.00 57.50 54.98 1f62 n TRP 42 Cb 0.35 -2.28 -0.09 0.00 -2.01 0.00 0.00 31.31 27.28 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 5.91 1.03 0.16 -0.99 -0.21 -1.26 -1.41 119.66 122.88 1f62 s GLN 43 Ca 0.64 -1.42 -0.08 0.00 0.02 0.00 0.00 55.36 54.52 1f62 s GLN 43 Cb 0.05 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.27 1f62 s GLN 43 CO 0.13 -0.32 0.44 0.00 -2.12 0.00 0.00 175.29 173.42 1f62 n PRO 45 N 0.22 0.13 -0.16 0.00 -0.04 -1.26 -0.90 135.00 132.99 1f62 n PRO 45 Ca -0.03 0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1f62 n PRO 45 Cb 0.52 -1.80 -0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 2.18 0.61 -0.21 0.55 0.00 -1.96 -3.24 119.26 117.20 1f62 h ALA 46 Ca 0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1f62 h ALA 46 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1f62 h ALA 46 CO 0.00 0.39 -0.62 0.00 0.00 0.00 0.00 179.25 179.03 1f62 s GLN 48 N -3.95 3.46 -0.04 0.00 -0.21 -1.12 -4.90 119.66 112.91 1f62 s GLN 48 Ca -0.09 1.43 -0.24 0.00 0.02 0.00 0.00 55.36 56.47 1f62 s GLN 48 Cb 0.10 -4.14 -0.21 0.00 1.00 0.00 0.00 33.01 29.75 1f62 s GLN 48 CO 0.87 -1.70 1.12 -1.00 -2.12 0.00 0.00 175.29 172.45 1f62 h PRO 49 N 12.18 0.16 -0.31 2.91 0.13 -1.87 -3.40 132.00 141.79 1f62 h PRO 49 Ca -0.33 -0.13 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 1f62 h PRO 49 Cb 1.16 0.03 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1f62 h PRO 49 CO 1.03 0.80 -0.56 0.00 -0.23 0.00 0.00 178.00 179.05 1f62 n ALA 50 N -2.48 -0.17 -0.97 -0.56 0.00 -1.26 -5.18 120.51 109.88 1f62 n ALA 50 Ca -0.09 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.59 1f62 n ALA 50 Cb 0.42 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1f62 n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75