#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4x s GLN 2 N 0.00 4.51 0.75 2.12 0.74 -1.26 -5.06 119.66 121.45 2k4x s GLN 2 Ca 0.00 1.16 -0.11 0.00 0.05 0.00 0.00 55.36 56.46 2k4x s GLN 2 Cb 0.00 -3.45 0.17 0.00 1.10 0.00 0.00 33.01 30.83 2k4x s GLN 2 CO 0.00 0.03 1.02 1.63 -0.55 0.00 0.00 175.29 177.42 2k4x n LYS 3 N 3.74 -0.82 -1.45 1.67 4.01 -1.26 -4.92 118.16 119.13 2k4x n LYS 3 Ca 0.02 -1.78 -0.40 0.00 -0.51 0.00 0.00 58.31 55.64 2k4x n LYS 3 Cb 0.51 -0.98 -0.02 0.00 -0.51 0.00 0.00 35.03 34.03 2k4x n LYS 3 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2k4x n ARG 4 N -3.11 2.91 0.00 1.97 1.85 -1.26 -4.73 116.66 114.29 2k4x n ARG 4 Ca 0.13 -2.30 0.00 0.00 -1.00 0.00 0.00 57.85 54.69 2k4x n ARG 4 Cb 0.47 -3.03 0.00 0.00 -1.05 0.00 0.00 32.46 28.85 2k4x n ARG 4 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2k4x n GLU 5 N 5.25 0.00 -3.08 2.89 1.02 -1.26 -5.08 120.64 120.38 2k4x n GLU 5 Ca 0.60 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.65 2k4x n GLU 5 Cb 0.32 -0.32 -0.02 0.00 -0.02 0.00 0.00 31.44 31.41 2k4x n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k4x n LEU 6 N -0.16 0.00 -3.71 -4.62 4.77 -1.26 -5.17 117.00 106.85 2k4x n LEU 6 Ca 0.00 -1.81 -0.17 0.00 -0.03 0.00 0.00 56.01 54.00 2k4x n LEU 6 Cb 0.00 1.70 -0.17 0.00 -2.33 0.00 0.00 43.42 42.62 2k4x n LEU 6 CO 0.00 -0.43 -0.32 -0.72 -1.33 0.00 0.00 177.39 174.59 2k4x s TYR 7 N -3.77 0.01 0.32 -1.77 1.13 -1.26 -5.15 117.35 106.87 2k4x s TYR 7 Ca 0.18 0.27 -0.27 0.00 -1.41 0.00 0.00 57.07 55.83 2k4x s TYR 7 Cb -0.01 -0.34 -0.09 0.00 -1.10 0.00 0.00 41.96 40.41 2k4x s TYR 7 CO 0.13 -0.16 1.06 -1.83 -2.51 0.00 0.00 175.55 172.24 2k4x s GLU 8 N 1.73 4.48 0.36 -3.49 -1.05 -1.26 -5.05 118.70 114.42 2k4x s GLU 8 Ca -0.01 1.65 0.02 0.00 -0.15 0.00 0.00 54.97 56.48 2k4x s GLU 8 Cb -0.12 -2.94 -0.01 0.00 -0.44 0.00 0.00 34.13 30.62 2k4x s GLU 8 CO -0.04 0.11 0.08 0.44 0.95 0.00 0.00 175.26 176.80 2k4x n ILE 9 N 0.71 0.00 -3.16 1.83 -5.35 -1.26 -5.10 119.36 107.03 2k4x n ILE 9 Ca 0.01 -1.96 -0.45 0.00 -0.27 0.00 0.00 62.75 60.08 2k4x n ILE 9 Cb 0.47 0.60 -0.04 0.00 -1.74 0.00 0.00 39.64 38.93 2k4x n ILE 9 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k4x s ALA 10 N -2.85 3.60 -0.02 -1.28 0.00 -1.26 -4.78 121.76 115.17 2k4x s ALA 10 Ca 0.11 -2.62 -0.05 0.00 0.00 0.00 0.00 51.96 49.40 2k4x s ALA 10 Cb 0.01 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2k4x s ALA 10 CO 0.08 -2.40 -0.10 -0.25 0.00 0.00 0.00 175.76 173.09 2k4x n ASP 11 N 5.67 0.99 0.02 0.00 8.00 -1.26 -4.02 116.55 125.95 2k4x n ASP 11 Ca 0.01 0.15 0.11 0.00 0.71 0.00 0.00 54.79 55.77 2k4x n ASP 11 Cb 0.44 -0.42 0.05 0.00 -0.02 0.00 0.00 41.12 41.18 2k4x n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4x n GLY 12 N 2.61 -1.21 3.55 0.44 0.00 -1.26 -3.94 105.19 105.39 2k4x n GLY 12 Ca -0.04 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2k4x n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4x s LYS 13 N -3.15 2.53 0.41 1.61 2.20 -1.26 -4.50 119.74 117.57 2k4x s LYS 13 Ca 0.05 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2k4x s LYS 13 Cb 0.15 -4.69 0.00 0.00 -1.51 0.00 0.00 37.83 31.77 2k4x s LYS 13 CO 0.79 -3.09 0.00 1.28 -0.36 0.00 0.00 175.35 173.96 2k4x n LEU 14 N 13.64 0.00 -3.90 5.43 4.77 -1.26 -4.63 117.00 131.05 2k4x n LEU 14 Ca 0.30 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2k4x n LEU 14 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2k4x n LEU 14 CO 0.66 0.00 0.39 0.68 -1.33 0.00 0.00 177.39 177.79 2k4x s VAL 15 N 0.00 0.00 -0.97 4.08 -7.23 -1.26 -5.04 120.40 109.98 2k4x s VAL 15 Ca 0.00 -1.13 -0.20 0.00 -1.81 0.00 0.00 61.98 58.84 2k4x s VAL 15 Cb 0.00 -2.22 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 2k4x s VAL 15 CO 0.00 0.00 1.97 0.54 -0.31 0.00 0.00 175.10 177.30 2k4x n ARG 16 N -0.46 1.84 -2.40 4.82 1.74 -1.25 -4.61 116.66 116.34 2k4x n ARG 16 Ca -0.04 -2.13 -0.37 0.00 -0.77 0.00 0.00 57.85 54.54 2k4x n ARG 16 Cb 0.60 -3.12 -0.03 0.00 -1.02 0.00 0.00 32.46 28.89 2k4x n ARG 16 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2k4x s LYS 17 N 4.83 3.36 0.01 5.56 2.36 -1.26 -4.87 119.74 129.72 2k4x s LYS 17 Ca 0.57 -1.24 -0.15 0.00 -2.55 0.00 0.00 55.97 52.59 2k4x s LYS 17 Cb 0.12 -5.34 0.03 0.00 -1.05 0.00 0.00 37.83 31.58 2k4x s LYS 17 CO 0.08 -2.70 0.33 -1.01 1.55 0.00 0.00 175.35 173.60 2k4x s HIS 18 N 6.58 -0.18 0.23 4.03 3.76 -1.26 -5.04 115.29 123.41 2k4x s HIS 18 Ca 0.56 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.67 2k4x s HIS 18 Cb -0.00 0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.77 2k4x s HIS 18 CO 0.01 -0.46 0.12 1.03 -0.85 0.00 0.00 174.74 174.59 2k4x s ARG 19 N -1.85 1.32 0.42 1.40 0.52 -1.26 -5.12 118.95 114.38 2k4x s ARG 19 Ca -0.10 -1.71 0.04 0.00 -0.52 0.00 0.00 55.73 53.44 2k4x s ARG 19 Cb -0.03 0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.49 2k4x s ARG 19 CO 0.01 -0.36 0.60 -0.06 0.02 0.00 0.00 175.30 175.51 2k4x s PHE 20 N -3.95 3.08 -0.17 -0.53 0.40 -1.26 -3.18 117.98 112.37 2k4x s PHE 20 Ca 0.38 -0.04 -0.29 0.00 -0.60 0.00 0.00 56.93 56.38 2k4x s PHE 20 Cb 0.07 -2.27 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 2k4x s PHE 20 CO 0.13 -0.31 1.13 0.00 0.70 0.00 0.00 175.22 176.87 2k4x h PRO 22 N 7.66 -0.00 0.00 0.00 0.11 -1.96 1.36 132.00 139.18 2k4x h PRO 22 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 2k4x h PRO 22 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2k4x h PRO 22 CO 0.95 -0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.73 2k4x h ARG 23 N -0.00 -0.01 0.00 1.05 2.47 -1.96 -3.32 114.38 112.61 2k4x h ARG 23 Ca 0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 2k4x h ARG 23 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2k4x h ARG 23 CO -1.00 0.44 0.00 0.00 0.56 0.00 0.00 179.97 179.97 2k4x h GLY 25 N 4.41 -0.68 -7.35 0.00 0.00 0.18 0.15 103.07 99.79 2k4x h GLY 25 Ca 0.00 0.72 -0.23 0.00 0.00 0.00 0.00 47.33 47.82 2k4x h GLY 25 CO 0.00 -0.04 0.75 2.56 0.00 0.00 0.00 176.54 179.81 2k4x s PRO 26 N -5.63 2.06 0.00 4.80 0.04 -1.26 -2.49 135.00 132.53 2k4x s PRO 26 Ca -0.13 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 59.96 2k4x s PRO 26 Cb 0.12 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.50 2k4x s PRO 26 CO 0.64 -4.49 0.00 0.41 0.04 0.00 0.00 177.00 173.60 2k4x n GLY 27 N 5.90 1.28 2.79 0.56 0.00 -1.19 -5.09 105.19 109.45 2k4x n GLY 27 Ca 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 2k4x n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4x s VAL 28 N -0.67 0.41 0.00 1.61 1.01 0.50 -5.15 120.40 118.12 2k4x s VAL 28 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2k4x s VAL 28 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2k4x s VAL 28 CO 0.00 0.25 0.00 2.22 0.00 0.00 0.00 175.10 177.57 2k4x n PHE 29 N 4.95 -2.47 -3.74 5.22 -1.74 -1.26 -3.41 117.46 115.01 2k4x n PHE 29 Ca -0.11 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.50 2k4x n PHE 29 Cb 0.50 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.34 2k4x n PHE 29 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2k4x s LEU 30 N 0.00 1.40 -0.56 5.98 2.96 -1.19 -3.85 118.68 123.42 2k4x s LEU 30 Ca 0.00 -1.00 -0.26 0.00 -0.22 0.00 0.00 54.13 52.65 2k4x s LEU 30 Cb 0.00 -0.66 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 2k4x s LEU 30 CO 0.00 -0.33 2.14 0.00 -1.32 0.00 0.00 176.35 176.85 2k4x s ALA 31 N 1.80 1.87 -0.92 5.97 0.00 0.19 -4.66 121.76 126.01 2k4x s ALA 31 Ca 0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.42 2k4x s ALA 31 Cb -0.17 -4.33 0.09 0.00 0.00 0.00 0.00 23.12 18.70 2k4x s ALA 31 CO -0.12 -4.23 1.24 -2.00 0.00 0.00 0.00 175.76 170.65 2k4x s GLU 32 N 7.69 3.51 0.56 0.00 2.12 -1.26 -0.73 118.70 130.59 2k4x s GLU 32 Ca 0.83 -1.31 -0.09 0.00 0.36 0.00 0.00 54.97 54.76 2k4x s GLU 32 Cb -0.15 -4.96 -0.04 0.00 0.26 0.00 0.00 34.13 29.24 2k4x s GLU 32 CO 0.23 -1.97 0.93 -1.01 -0.54 0.00 0.00 175.26 172.89 2k4x s HIS 33 N 3.93 3.60 0.37 5.30 3.76 0.18 -4.95 115.29 127.49 2k4x s HIS 33 Ca 0.37 1.10 0.37 0.00 -0.15 0.00 0.00 55.06 56.75 2k4x s HIS 33 Cb -0.05 -2.55 2.01 0.00 1.11 0.00 0.00 32.58 33.10 2k4x s HIS 33 CO -0.06 -0.51 2.14 0.00 -0.85 0.00 0.00 174.74 175.46 2k4x h ALA 34 N -0.06 1.00 0.16 -1.40 0.00 -2.03 -1.17 119.26 115.76 2k4x h ALA 34 Ca -0.45 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.12 2k4x h ALA 34 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k4x h ALA 34 CO 0.62 0.00 -1.72 -0.44 0.00 0.00 0.00 179.25 177.71 2k4x h ASP 35 N 0.00 0.51 0.00 0.00 3.32 -1.99 -3.47 116.42 114.79 2k4x h ASP 35 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 2k4x h ASP 35 Cb 0.03 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2k4x h ASP 35 CO 0.00 1.76 0.00 -2.11 -1.72 0.00 0.00 179.24 177.17 2k4x n ARG 36 N -3.67 -2.15 -3.65 3.56 1.85 -0.44 -2.47 116.66 109.69 2k4x n ARG 36 Ca -0.26 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.24 2k4x n ARG 36 Cb 1.02 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.38 2k4x n ARG 36 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2k4x s TYR 37 N -2.47 3.58 -0.03 2.89 1.51 0.66 0.50 117.35 124.00 2k4x s TYR 37 Ca 0.00 0.70 -0.08 0.00 -1.01 0.00 0.00 57.07 56.68 2k4x s TYR 37 Cb 0.00 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2k4x s TYR 37 CO 0.00 0.56 0.17 0.45 -1.11 0.00 0.00 175.55 175.62 2k4x s SER 38 N -1.74 -0.07 -0.41 2.29 0.15 0.09 -1.44 113.70 112.57 2k4x s SER 38 Ca 0.31 0.03 0.02 0.00 0.70 0.00 0.00 55.95 57.01 2k4x s SER 38 Cb -0.14 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.58 2k4x s SER 38 CO 0.17 -0.26 0.20 0.00 1.20 0.00 0.00 173.24 174.56 2k4x n GLY 40 N 3.83 1.44 0.14 0.00 0.00 -1.26 -1.15 105.19 108.18 2k4x n GLY 40 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2k4x n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k4x n ARG 41 N 7.60 0.00 0.00 1.61 3.00 -1.26 -4.95 116.66 122.66 2k4x n ARG 41 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 2k4x n ARG 41 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 2k4x n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k4x n GLY 43 N -0.01 0.51 3.58 0.00 0.00 -0.30 -4.95 105.19 104.01 2k4x n GLY 43 Ca 0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2k4x n GLY 43 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k4x s TYR 44 N -2.01 1.51 -0.07 1.61 5.04 -1.24 -4.77 117.35 117.43 2k4x s TYR 44 Ca 0.00 0.85 0.05 0.00 -2.44 0.00 0.00 57.07 55.53 2k4x s TYR 44 Cb 0.00 -3.97 -0.01 0.00 0.35 0.00 0.00 41.96 38.33 2k4x s TYR 44 CO 0.00 -2.88 -0.24 0.99 -1.34 0.00 0.00 175.55 172.08 2k4x s THR 45 N 8.80 2.09 -0.17 4.34 2.01 -1.26 -0.79 115.64 130.66 2k4x s THR 45 Ca 0.83 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 2k4x s THR 45 Cb -0.20 -1.77 0.05 0.00 0.01 0.00 0.00 72.50 70.59 2k4x s THR 45 CO 0.29 0.57 0.01 -0.70 -0.69 0.00 0.00 174.62 174.10 2k4x s GLU 46 N -0.03 0.83 0.57 4.92 2.56 -0.52 -4.96 118.70 122.07 2k4x s GLU 46 Ca -0.08 -0.38 -0.19 0.00 0.00 0.00 0.00 54.97 54.32 2k4x s GLU 46 Cb -0.15 -1.93 -0.06 0.00 2.00 0.00 0.00 34.13 33.99 2k4x s GLU 46 CO 0.05 -0.55 0.96 1.19 -0.56 0.00 0.00 175.26 176.35 2k4x n PHE 47 N 5.01 0.83 -1.83 5.30 3.72 -1.26 -0.25 117.46 128.99 2k4x n PHE 47 Ca -0.09 0.45 -0.29 0.00 -0.05 0.00 0.00 57.45 57.47 2k4x n PHE 47 Cb 0.48 -2.15 -0.07 0.00 -0.94 0.00 0.00 39.48 36.80 2k4x n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2k4x n LYS 48 N -0.78 1.32 -0.00 -1.08 4.76 -1.03 -4.20 118.16 117.15 2k4x n LYS 48 Ca 0.13 -2.24 0.04 0.00 -2.87 0.00 0.00 58.31 53.37 2k4x n LYS 48 Cb 0.46 -3.62 -0.05 0.00 -1.84 0.00 0.00 35.03 29.98 2k4x n LYS 48 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2k4x n LYS 49 N 8.08 2.77 -1.75 1.97 4.81 -1.26 -4.93 118.16 127.86 2k4x n LYS 49 Ca 0.45 -0.03 -0.20 0.00 -0.87 0.00 0.00 58.31 57.66 2k4x n LYS 49 Cb 0.46 -0.99 -0.06 0.00 0.02 0.00 0.00 35.03 34.45 2k4x n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4x s ALA 50 N -2.05 1.11 -0.01 3.14 0.00 -1.26 -4.49 121.76 118.20 2k4x s ALA 50 Ca 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2k4x s ALA 50 Cb 0.05 -4.55 -0.01 0.00 0.00 0.00 0.00 23.12 18.62 2k4x s ALA 50 CO 0.32 -5.41 -0.02 1.17 0.00 0.00 0.00 175.76 171.83 2k4x n LYS 51 N 8.86 0.03 -3.03 0.00 4.81 -1.26 -4.96 118.16 122.60 2k4x n LYS 51 Ca 0.43 0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.74 2k4x n LYS 51 Cb 0.45 -0.54 -0.04 0.00 0.02 0.00 0.00 35.03 34.92 2k4x n LYS 51 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k4x n LYS 52 N -3.06 0.40 -0.11 1.64 4.81 -1.26 -5.00 118.16 115.59 2k4x n LYS 52 Ca -0.02 -2.52 -0.18 0.00 -0.87 0.00 0.00 58.31 54.72 2k4x n LYS 52 Cb 0.51 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 33.95 2k4x n LYS 52 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2k4x n SER 53 N 2.83 1.90 -3.33 3.14 7.64 -1.26 -4.97 113.62 119.58 2k4x n SER 53 Ca 0.23 0.41 -0.09 0.00 1.01 0.00 0.00 58.87 60.43 2k4x n SER 53 Cb 0.53 -0.84 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 2k4x n SER 53 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k4x s LYS 54 N -2.54 0.38 0.00 1.43 2.20 -1.26 -5.24 119.74 114.71 2k4x s LYS 54 Ca -0.29 0.42 0.31 0.00 -0.36 0.00 0.00 55.97 56.04 2k4x s LYS 54 Cb 0.08 -0.38 1.60 0.00 -1.51 0.00 0.00 37.83 37.61 2k4x s LYS 54 CO 0.44 -0.77 2.05 0.45 -0.36 0.00 0.00 175.35 177.16