#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ql0 s LYS 2 N 0.00 2.47 -0.04 2.12 0.00 -1.26 -5.11 119.74 117.91 2ql0 s LYS 2 Ca 0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 55.97 54.88 2ql0 s LYS 2 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 37.83 35.61 2ql0 s LYS 2 CO 0.00 0.44 0.59 0.15 0.00 0.00 0.00 175.35 176.54 2ql0 s LYS 3 N -0.31 4.34 -0.20 1.78 -0.14 -1.26 -4.86 119.74 119.09 2ql0 s LYS 3 Ca 0.01 0.70 -0.03 0.00 -1.36 0.00 0.00 55.97 55.29 2ql0 s LYS 3 Cb -0.13 -3.38 -0.01 0.00 -1.68 0.00 0.00 37.83 32.63 2ql0 s LYS 3 CO 0.02 0.26 -0.06 0.71 -0.76 0.00 0.00 175.35 175.52 2ql0 s TYR 4 N 0.20 2.94 0.99 3.18 2.02 -1.26 -2.25 117.35 123.18 2ql0 s TYR 4 Ca 0.31 -0.82 -0.17 0.00 -0.37 0.00 0.00 57.07 56.02 2ql0 s TYR 4 Cb -0.17 -2.05 0.22 0.00 -0.40 0.00 0.00 41.96 39.56 2ql0 s TYR 4 CO 0.16 -0.44 1.35 0.14 -1.57 0.00 0.00 175.55 175.19 2ql0 s VAL 5 N 1.17 1.99 -0.06 0.71 -7.23 0.28 -3.40 120.40 113.87 2ql0 s VAL 5 Ca 0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2ql0 s VAL 5 Cb -0.14 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 2ql0 s VAL 5 CO -0.01 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.79 2ql0 n THR 7 N 1.84 2.96 0.01 0.00 -2.24 -1.03 -2.32 114.28 113.50 2ql0 n THR 7 Ca -0.17 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 2ql0 n THR 7 Cb 0.53 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2ql0 n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2ql0 n VAL 8 N -0.18 0.11 -0.08 2.28 0.31 -1.26 -4.88 118.33 114.62 2ql0 n VAL 8 Ca 0.42 0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.68 2ql0 n VAL 8 Cb 1.42 -1.43 -0.08 0.00 -0.91 0.00 0.00 33.84 32.83 2ql0 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ql0 n GLY 10 N 2.59 0.76 3.73 0.00 0.00 -0.98 -5.03 105.19 106.25 2ql0 n GLY 10 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2ql0 n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ql0 s TYR 11 N -2.00 2.21 -0.05 1.61 5.04 -1.26 -4.43 117.35 118.47 2ql0 s TYR 11 Ca 0.00 1.61 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 2ql0 s TYR 11 Cb 0.00 -3.33 -0.02 0.00 0.35 0.00 0.00 41.96 38.95 2ql0 s TYR 11 CO 0.00 -2.29 -0.14 -1.83 -1.34 0.00 0.00 175.55 169.94 2ql0 s GLU 12 N -4.14 2.56 0.15 4.97 1.03 -1.26 0.03 118.70 122.04 2ql0 s GLU 12 Ca 0.70 -0.70 0.04 0.00 0.03 0.00 0.00 54.97 55.04 2ql0 s GLU 12 Cb -0.25 -2.39 -0.04 0.00 -0.80 0.00 0.00 34.13 30.66 2ql0 s GLU 12 CO 0.47 0.59 0.16 -0.47 -1.33 0.00 0.00 175.26 174.68 2ql0 s TYR 13 N -0.65 3.21 -0.31 4.83 5.04 -1.22 -5.02 117.35 123.23 2ql0 s TYR 13 Ca 0.10 0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 54.73 2ql0 s TYR 13 Cb -0.11 -1.55 0.11 0.00 0.35 0.00 0.00 41.96 40.76 2ql0 s TYR 13 CO 0.01 0.52 0.13 0.34 -1.34 0.00 0.00 175.55 175.21 2ql0 s ASP 14 N -3.05 3.69 0.00 4.32 3.68 -1.26 -4.33 116.67 119.72 2ql0 s ASP 14 Ca 0.31 -1.61 0.22 0.00 2.13 0.00 0.00 52.55 53.60 2ql0 s ASP 14 Cb -0.10 -0.61 1.01 0.00 -1.45 0.00 0.00 42.92 41.76 2ql0 s ASP 14 CO 0.24 -0.41 1.72 -0.81 0.13 0.00 0.00 175.17 176.04 2ql0 n PRO 15 N 4.85 0.12 0.17 4.34 -0.04 -1.26 -2.28 135.00 140.90 2ql0 n PRO 15 Ca -0.02 0.10 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2ql0 n PRO 15 Cb 0.41 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.68 2ql0 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ql0 h ALA 16 N 2.87 1.29 0.00 0.55 0.00 -1.93 -2.54 119.26 119.50 2ql0 h ALA 16 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 54.91 54.17 2ql0 h ALA 16 Cb 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2ql0 h ALA 16 CO 0.00 0.53 -2.35 0.39 0.00 0.00 0.00 179.25 177.83 2ql0 n GLU 17 N -4.03 0.79 0.00 0.00 -0.58 -1.09 -4.03 120.64 111.70 2ql0 n GLU 17 Ca -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2ql0 n GLU 17 Cb 0.45 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2ql0 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ql0 n GLY 18 N 1.91 -0.83 2.99 0.62 0.00 -0.96 -3.80 105.19 105.11 2ql0 n GLY 18 Ca -0.34 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 43.59 2ql0 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ql0 s ASP 19 N -4.00 -1.47 0.00 1.61 2.15 -0.95 -4.67 116.67 109.33 2ql0 s ASP 19 Ca 0.00 -1.20 0.23 0.00 0.43 0.00 0.00 52.55 52.01 2ql0 s ASP 19 Cb 0.00 1.90 1.23 0.00 -0.30 0.00 0.00 42.92 45.75 2ql0 s ASP 19 CO 0.00 -0.11 1.76 -0.81 -0.17 0.00 0.00 175.17 175.83 2ql0 n PRO 20 N 3.72 0.45 -0.03 4.34 -0.04 -1.25 -0.39 135.00 141.79 2ql0 n PRO 20 Ca 0.14 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2ql0 n PRO 20 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2ql0 n PRO 20 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2ql0 h ASP 21 N 0.00 0.15 0.00 3.54 3.32 -1.94 -3.40 116.42 118.10 2ql0 h ASP 21 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2ql0 h ASP 21 Cb 0.15 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2ql0 h ASP 21 CO 0.00 0.63 -0.22 0.59 -1.72 0.00 0.00 179.24 178.52 2ql0 n ASN 22 N -4.72 0.72 0.00 6.45 5.03 -1.18 -5.03 115.26 116.52 2ql0 n ASN 22 Ca -0.08 0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.75 2ql0 n ASN 22 Cb 0.31 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 2ql0 n ASN 22 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ql0 n GLY 23 N 1.68 -1.81 2.99 7.41 0.00 -0.90 -5.15 105.19 109.41 2ql0 n GLY 23 Ca -0.03 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 2ql0 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ql0 s VAL 24 N 0.00 1.43 0.79 1.61 1.01 0.47 -5.01 120.40 120.69 2ql0 s VAL 24 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 2ql0 s VAL 24 Cb 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2ql0 s VAL 24 CO 0.00 0.43 0.87 0.29 0.00 0.00 0.00 175.10 176.69 2ql0 n LYS 25 N 4.78 0.23 -2.31 2.72 4.76 -1.26 -2.25 118.16 124.83 2ql0 n LYS 25 Ca -0.16 0.14 -0.40 0.00 -2.87 0.00 0.00 58.31 55.02 2ql0 n LYS 25 Cb 0.50 -2.16 -0.03 0.00 -1.84 0.00 0.00 35.03 31.51 2ql0 n LYS 25 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2ql0 s PRO 26 N -3.52 3.00 0.00 1.97 0.04 -1.26 -3.67 135.00 131.56 2ql0 s PRO 26 Ca 0.69 0.28 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2ql0 s PRO 26 Cb -0.31 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2ql0 s PRO 26 CO 0.55 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.68 2ql0 n GLY 27 N 5.47 0.63 2.77 0.56 0.00 -1.25 -4.91 105.19 108.47 2ql0 n GLY 27 Ca 0.12 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 2ql0 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ql0 s THR 28 N -0.81 1.15 0.83 2.61 2.01 -0.96 -5.04 115.64 115.43 2ql0 s THR 28 Ca 0.00 -1.73 -0.17 0.00 0.31 0.00 0.00 61.69 60.10 2ql0 s THR 28 Cb 0.00 -1.86 -0.13 0.00 0.01 0.00 0.00 72.50 70.52 2ql0 s THR 28 CO 0.00 -0.71 -0.44 -1.20 -0.69 0.00 0.00 174.62 171.58 2ql0 n SER 29 N 4.54 -4.77 -0.24 3.53 7.64 -1.26 -4.71 113.62 118.35 2ql0 n SER 29 Ca 0.01 0.36 -0.02 0.00 1.01 0.00 0.00 58.87 60.23 2ql0 n SER 29 Cb 0.41 -0.84 0.18 0.00 -1.01 0.00 0.00 64.21 62.94 2ql0 n SER 29 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2ql0 h PHE 30 N -0.69 1.03 0.00 1.43 3.04 -1.90 0.01 116.94 119.87 2ql0 h PHE 30 Ca -0.43 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.50 2ql0 h PHE 30 Cb 1.35 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.52 2ql0 h PHE 30 CO 0.24 0.71 0.00 0.22 -2.02 0.00 0.00 178.31 177.46 2ql0 h ASP 31 N 1.06 0.00 -0.81 0.41 3.58 -1.96 -2.13 116.42 116.57 2ql0 h ASP 31 Ca 0.27 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.29 2ql0 h ASP 31 Cb 0.02 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 40.82 2ql0 h ASP 31 CO -0.04 0.00 0.54 0.47 -2.88 0.00 0.00 179.24 177.33 2ql0 n ASP 32 N -2.96 3.79 -4.96 2.28 9.92 -0.02 -4.93 116.55 119.68 2ql0 n ASP 32 Ca 0.01 -3.31 -0.23 0.00 -0.53 0.00 0.00 54.79 50.72 2ql0 n ASP 32 Cb 0.29 -0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 39.96 2ql0 n ASP 32 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ql0 s LEU 33 N -2.69 4.33 0.58 0.64 1.43 -0.80 -4.73 118.68 117.44 2ql0 s LEU 33 Ca 0.46 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 2ql0 s LEU 33 Cb 0.39 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2ql0 s LEU 33 CO 0.08 -0.01 1.05 -2.16 0.23 0.00 0.00 176.35 175.54 2ql0 s PRO 34 N -3.64 3.41 0.30 1.29 0.04 -1.26 -4.93 135.00 130.21 2ql0 s PRO 34 Ca 0.34 1.18 0.26 0.00 0.04 0.00 0.00 61.00 62.82 2ql0 s PRO 34 Cb -0.10 -2.05 0.95 0.00 0.04 0.00 0.00 34.50 33.34 2ql0 s PRO 34 CO 0.29 -0.73 1.76 0.00 0.04 0.00 0.00 177.00 178.36 2ql0 h ALA 35 N 0.53 1.00 -0.92 8.56 0.00 -1.99 -2.62 119.26 123.82 2ql0 h ALA 35 Ca -0.47 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 53.93 2ql0 h ALA 35 Cb 1.22 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 2ql0 h ALA 35 CO 0.58 0.00 0.59 -3.47 0.00 0.00 0.00 179.25 176.95 2ql0 n ASP 36 N -2.43 4.35 -4.97 0.00 4.64 -1.26 -4.95 116.55 111.93 2ql0 n ASP 36 Ca 0.03 -3.67 -0.22 0.00 -1.38 0.00 0.00 54.79 49.56 2ql0 n ASP 36 Cb 0.32 -0.83 -0.01 0.00 -1.04 0.00 0.00 41.12 39.56 2ql0 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.82 0.00 0.00 177.20 177.24 2ql0 s TRP 37 N -3.40 3.31 0.25 -0.67 -0.00 -0.99 -5.11 118.94 112.34 2ql0 s TRP 37 Ca 0.57 0.07 -0.04 0.00 -0.00 0.00 0.00 56.10 56.69 2ql0 s TRP 37 Cb 0.48 -1.95 0.02 0.00 -0.00 0.00 0.00 33.47 32.02 2ql0 s TRP 37 CO 0.07 0.04 0.41 1.33 -0.00 0.00 0.00 176.95 178.81 2ql0 n VAL 38 N -1.73 0.00 -2.42 5.86 0.24 -1.26 -4.73 118.33 114.30 2ql0 n VAL 38 Ca -0.03 -1.03 -0.41 0.00 -2.04 0.00 0.00 64.34 60.83 2ql0 n VAL 38 Cb 0.57 0.73 -0.04 0.00 -1.47 0.00 0.00 33.84 33.63 2ql0 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ql0 n PRO 40 N 2.38 0.75 -0.09 0.00 -0.04 -1.26 -2.64 135.00 134.11 2ql0 n PRO 40 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2ql0 n PRO 40 Cb 0.45 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 2ql0 n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ql0 n VAL 41 N -0.99 1.48 0.00 0.52 0.31 -1.26 -4.97 118.33 113.42 2ql0 n VAL 41 Ca 0.18 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2ql0 n VAL 41 Cb 0.08 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 2ql0 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ql0 n GLY 43 N 2.90 -0.45 3.87 0.00 0.00 -1.08 -4.81 105.19 105.61 2ql0 n GLY 43 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2ql0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ql0 s ALA 44 N 0.00 3.74 0.79 4.61 0.00 -1.26 -4.59 121.76 125.04 2ql0 s ALA 44 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 2ql0 s ALA 44 Cb 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.78 2ql0 s ALA 44 CO 0.00 0.19 1.09 -1.25 0.00 0.00 0.00 175.76 175.80 2ql0 s PRO 45 N -3.92 2.18 0.53 0.00 0.04 -1.26 -2.17 135.00 130.39 2ql0 s PRO 45 Ca 0.35 0.67 0.35 0.00 0.04 0.00 0.00 61.00 62.41 2ql0 s PRO 45 Cb -0.08 -1.93 1.70 0.00 0.04 0.00 0.00 34.50 34.24 2ql0 s PRO 45 CO 0.26 -1.56 2.06 0.87 0.04 0.00 0.00 177.00 178.67 2ql0 h LYS 46 N -1.05 0.00 0.00 4.56 1.57 -1.96 -0.92 116.57 118.77 2ql0 h LYS 46 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2ql0 h LYS 46 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2ql0 h LYS 46 CO 0.59 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 179.92 2ql0 n SER 47 N -2.86 0.38 -2.29 0.86 2.88 -1.26 -1.75 113.62 109.58 2ql0 n SER 47 Ca -0.01 0.64 -0.27 0.00 -1.33 0.00 0.00 58.87 57.90 2ql0 n SER 47 Cb 0.17 -0.70 0.02 0.00 -0.75 0.00 0.00 64.21 62.94 2ql0 n SER 47 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ql0 n GLU 48 N -1.97 3.40 -3.77 -1.46 1.02 -0.35 -4.98 120.64 112.54 2ql0 n GLU 48 Ca 0.00 -4.18 -0.14 0.00 -0.02 0.00 0.00 57.16 52.82 2ql0 n GLU 48 Cb 0.09 -2.27 -0.15 0.00 -0.02 0.00 0.00 31.44 29.09 2ql0 n GLU 48 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2ql0 s PHE 49 N -3.63 -0.04 0.25 -0.32 0.40 -0.72 -2.47 117.98 111.46 2ql0 s PHE 49 Ca 0.51 0.25 0.05 0.00 -0.60 0.00 0.00 56.93 57.14 2ql0 s PHE 49 Cb 0.42 -0.18 -0.05 0.00 0.51 0.00 0.00 43.02 43.71 2ql0 s PHE 49 CO -0.09 -0.11 -0.02 -1.83 0.70 0.00 0.00 175.22 173.87 2ql0 s GLU 50 N 1.08 1.43 0.57 0.44 -1.05 -1.14 -4.91 118.70 115.11 2ql0 s GLU 50 Ca -0.09 -1.73 -0.20 0.00 -0.15 0.00 0.00 54.97 52.81 2ql0 s GLU 50 Cb -0.12 -0.83 -0.04 0.00 -0.44 0.00 0.00 34.13 32.69 2ql0 s GLU 50 CO -0.04 -0.05 1.21 0.00 0.95 0.00 0.00 175.26 177.33 2ql0 s ALA 51 N -3.26 2.64 -2.00 -0.84 0.00 -1.26 0.99 121.76 118.03 2ql0 s ALA 51 Ca 0.29 1.00 0.14 0.00 0.00 0.00 0.00 51.96 53.40 2ql0 s ALA 51 Cb 0.05 -3.44 0.83 0.00 0.00 0.00 0.00 23.12 20.56 2ql0 s ALA 51 CO 0.10 -1.07 1.26 0.00 0.00 0.00 0.00 175.76 176.05