#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 4.52 -0.48 0.03 -0.21 -1.26 -5.03 119.66 117.23 2k4x s GLN 2 Ca 0.00 1.16 -0.17 0.00 0.02 0.00 0.00 55.36 56.37 2k4x s GLN 2 Cb 0.00 -3.43 0.07 0.00 1.00 0.00 0.00 33.01 30.65 2k4x s GLN 2 CO 0.00 0.08 0.48 0.15 -2.12 0.00 0.00 175.29 173.89 2k4x s LYS 3 N 0.63 3.04 -1.01 2.91 3.01 -1.26 -5.01 119.74 122.05 2k4x s LYS 3 Ca 0.44 -1.17 -0.23 0.00 -1.01 0.00 0.00 55.97 54.00 2k4x s LYS 3 Cb -0.20 -4.12 -0.01 0.00 -1.01 0.00 0.00 37.83 32.50 2k4x s LYS 3 CO 0.24 -1.10 1.75 0.50 0.51 0.00 0.00 175.35 177.24 2k4x s ARG 4 N 2.03 3.05 -0.00 1.68 3.52 -1.26 -4.78 118.95 123.18 2k4x s ARG 4 Ca 0.08 -0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2k4x s ARG 4 Cb -0.22 -5.23 -0.00 0.00 -1.56 0.00 0.00 34.95 27.94 2k4x s ARG 4 CO 0.09 -2.92 0.08 0.93 -0.81 0.00 0.00 175.30 172.66 2k4x h GLU 5 N 10.26 -0.00 -3.23 5.12 5.08 -2.05 -3.50 114.58 126.25 2k4x h GLU 5 Ca 0.18 0.00 0.39 0.00 -1.00 0.00 0.00 59.36 58.93 2k4x h GLU 5 Cb 0.99 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 2k4x h GLU 5 CO 1.31 -0.00 -0.54 -0.11 -1.00 0.00 0.00 179.01 178.67 2k4x n LEU 6 N -2.10 -0.72 -0.09 1.33 7.94 -1.26 -4.82 117.00 117.29 2k4x n LEU 6 Ca -0.00 1.58 -0.18 0.00 -1.11 0.00 0.00 56.01 56.30 2k4x n LEU 6 Cb 0.00 -4.39 -0.07 0.00 0.53 0.00 0.00 43.42 39.49 2k4x n LEU 6 CO 0.00 -3.88 -1.11 -1.22 -1.11 0.00 0.00 177.39 170.06 2k4x n TYR 7 N -4.26 0.00 -1.12 1.96 4.01 -1.26 -5.13 117.16 111.37 2k4x n TYR 7 Ca 0.01 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 2k4x n TYR 7 Cb 0.66 -0.65 -0.05 0.00 -0.31 0.00 0.00 39.34 38.99 2k4x n TYR 7 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2k4x n GLU 8 N -3.64 -2.34 -4.64 -0.72 1.02 -1.26 -4.93 120.64 104.13 2k4x n GLU 8 Ca -0.35 1.65 -0.32 0.00 -0.02 0.00 0.00 57.16 58.13 2k4x n GLU 8 Cb 0.77 -2.82 -0.12 0.00 -0.02 0.00 0.00 31.44 29.25 2k4x n GLU 8 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2k4x s ILE 9 N -2.49 3.18 0.00 -3.67 -4.36 -1.26 -4.98 121.20 107.62 2k4x s ILE 9 Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.47 2k4x s ILE 9 Cb 0.00 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.37 2k4x s ILE 9 CO 0.00 0.42 0.00 0.00 0.24 0.00 0.00 174.94 175.60 2k4x n ALA 10 N 1.72 2.22 -2.68 2.27 0.00 -1.26 -5.09 120.51 117.70 2k4x n ALA 10 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 2k4x n ALA 10 Cb 0.52 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 20.13 2k4x n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k4x s ASP 11 N -3.81 4.87 -0.30 0.00 2.15 -1.26 -5.12 116.67 113.21 2k4x s ASP 11 Ca 0.00 -0.33 -0.16 0.00 0.43 0.00 0.00 52.55 52.49 2k4x s ASP 11 Cb 0.00 -1.08 0.18 0.00 -0.30 0.00 0.00 42.92 41.72 2k4x s ASP 11 CO 0.00 0.11 1.13 -0.83 -0.17 0.00 0.00 175.17 175.41 2k4x s GLY 12 N -2.81 -0.07 -1.30 2.66 0.00 -1.26 -5.07 107.32 99.48 2k4x s GLY 12 Ca 0.27 3.18 -0.14 0.00 0.00 0.00 0.00 44.72 48.03 2k4x s GLY 12 CO 0.19 3.55 1.76 0.28 0.00 0.00 0.00 173.10 178.88 2k4x n LYS 13 N 5.05 3.27 -3.50 2.90 4.01 -1.26 -4.95 118.16 123.68 2k4x n LYS 13 Ca -0.08 -3.38 -0.38 0.00 -0.51 0.00 0.00 58.31 53.97 2k4x n LYS 13 Cb 0.54 -3.22 -0.09 0.00 -0.51 0.00 0.00 35.03 31.75 2k4x n LYS 13 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k4x s LEU 14 N 2.24 4.08 0.21 -0.35 2.01 -1.26 -5.06 118.68 120.55 2k4x s LEU 14 Ca 0.47 0.23 -0.31 0.00 0.01 0.00 0.00 54.13 54.53 2k4x s LEU 14 Cb 0.05 -2.30 -0.10 0.00 0.01 0.00 0.00 46.19 43.84 2k4x s LEU 14 CO 0.01 -0.07 1.55 -0.69 1.01 0.00 0.00 176.35 178.16 2k4x s VAL 15 N 1.60 2.49 0.06 -1.59 1.01 -1.26 -4.48 120.40 118.23 2k4x s VAL 15 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2k4x s VAL 15 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2k4x s VAL 15 CO 0.08 0.04 0.00 0.54 0.00 0.00 0.00 175.10 175.77 2k4x n ARG 16 N 3.19 -3.42 0.05 2.72 1.74 -1.26 -4.99 116.66 114.70 2k4x n ARG 16 Ca 0.11 2.64 -0.02 0.00 -0.77 0.00 0.00 57.85 59.81 2k4x n ARG 16 Cb 0.39 -3.03 -0.01 0.00 -1.02 0.00 0.00 32.46 28.78 2k4x n ARG 16 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k4x h LYS 17 N 2.74 -0.15 -5.37 5.56 1.79 -2.04 -3.49 116.57 115.60 2k4x h LYS 17 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k4x h LYS 17 Cb 0.00 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 2k4x h LYS 17 CO 0.00 -0.10 -1.12 0.72 -1.08 0.00 0.00 179.45 177.86 2k4x n HIS 18 N -2.92 -3.20 -3.64 -1.35 8.25 -1.26 -4.98 115.22 106.13 2k4x n HIS 18 Ca -0.02 1.71 -0.33 0.00 -0.26 0.00 0.00 57.72 58.82 2k4x n HIS 18 Cb 0.06 -3.19 -0.05 0.00 1.12 0.00 0.00 29.99 27.93 2k4x n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2k4x s ARG 19 N -0.85 3.68 0.05 -0.41 1.81 -1.26 -5.01 118.95 116.96 2k4x s ARG 19 Ca -0.14 0.04 0.02 0.00 -1.72 0.00 0.00 55.73 53.93 2k4x s ARG 19 Cb 0.01 -2.95 -0.04 0.00 -0.45 0.00 0.00 34.95 31.52 2k4x s ARG 19 CO 0.59 0.54 0.06 -0.06 -0.68 0.00 0.00 175.30 175.74 2k4x s PHE 20 N -1.48 3.18 -0.06 -0.53 0.08 -1.26 -0.38 117.98 117.51 2k4x s PHE 20 Ca 0.35 0.10 -0.26 0.00 0.12 0.00 0.00 56.93 57.25 2k4x s PHE 20 Cb -0.13 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2k4x s PHE 20 CO 0.20 0.52 0.80 0.00 -0.10 0.00 0.00 175.22 176.64 2k4x n PRO 22 N 4.04 -0.30 0.01 0.00 -0.02 -1.26 0.18 135.00 137.65 2k4x n PRO 22 Ca 0.02 1.20 -0.16 0.00 -2.02 0.00 0.00 63.50 62.53 2k4x n PRO 22 Cb 0.51 -1.77 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 2k4x n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4x h ARG 23 N 0.00 0.18 -0.01 -0.52 2.47 -1.96 -3.35 114.38 111.19 2k4x h ARG 23 Ca 0.17 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2k4x h ARG 23 Cb 0.37 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2k4x h ARG 23 CO -0.76 0.97 -0.12 0.00 0.56 0.00 0.00 179.97 180.63 2k4x h GLY 25 N 4.90 -1.55 -7.39 0.00 0.00 0.18 -0.52 103.07 98.70 2k4x h GLY 25 Ca 0.00 0.94 -0.20 0.00 0.00 0.00 0.00 47.33 48.07 2k4x h GLY 25 CO 0.00 -0.36 0.77 -1.05 0.00 0.00 0.00 176.54 175.90 2k4x n PRO 26 N -4.41 0.65 0.00 4.80 -0.02 -1.26 -2.20 135.00 132.55 2k4x n PRO 26 Ca 0.01 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 2k4x n PRO 26 Cb 0.16 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.33 2k4x n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4x n GLY 27 N 6.44 2.66 2.86 -1.23 0.00 -1.25 -5.01 105.19 109.66 2k4x n GLY 27 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.52 1.37 1.09 1.61 1.01 -0.20 -5.13 120.40 117.63 2k4x s VAL 28 Ca 0.00 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.31 2k4x s VAL 28 Cb 0.00 -1.89 0.27 0.00 0.00 0.00 0.00 36.38 34.76 2k4x s VAL 28 CO 0.00 -0.44 0.99 2.22 0.00 0.00 0.00 175.10 177.87 2k4x n PHE 29 N 4.67 -3.81 -3.86 5.22 -1.74 -1.26 -3.48 117.46 113.20 2k4x n PHE 29 Ca -0.04 -0.89 -0.36 0.00 -0.56 0.00 0.00 57.45 55.59 2k4x n PHE 29 Cb 0.43 -1.01 -0.13 0.00 1.52 0.00 0.00 39.48 40.29 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 4.01 -0.67 5.98 2.96 0.48 -4.41 118.68 127.03 2k4x s LEU 30 Ca 0.64 -1.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.08 2k4x s LEU 30 Cb -0.06 -1.76 -0.13 0.00 0.50 0.00 0.00 46.19 44.74 2k4x s LEU 30 CO 0.49 -0.28 2.45 0.00 -1.32 0.00 0.00 176.35 177.69 2k4x n ALA 31 N 4.69 0.63 -2.60 5.97 0.00 0.12 -4.26 120.51 125.06 2k4x n ALA 31 Ca -0.13 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 51.97 2k4x n ALA 31 Cb 0.44 -3.01 -0.02 0.00 0.00 0.00 0.00 19.45 16.85 2k4x n ALA 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k4x s GLU 32 N 8.47 3.72 0.24 0.00 2.12 -1.26 -1.39 118.70 130.59 2k4x s GLU 32 Ca 1.06 0.54 0.12 0.00 0.36 0.00 0.00 54.97 57.04 2k4x s GLU 32 Cb -0.40 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.04 2k4x s GLU 32 CO 0.28 -1.35 -0.20 -1.01 -0.54 0.00 0.00 175.26 172.44 2k4x s HIS 33 N 4.35 2.33 0.54 5.30 3.76 0.55 -4.99 115.29 127.12 2k4x s HIS 33 Ca 0.47 -0.33 0.28 0.00 -0.15 0.00 0.00 55.06 55.32 2k4x s HIS 33 Cb -0.08 -1.08 1.44 0.00 1.11 0.00 0.00 32.58 33.98 2k4x s HIS 33 CO 0.31 0.61 1.96 0.00 -0.85 0.00 0.00 174.74 176.76 2k4x h ALA 34 N 2.68 2.57 0.12 -1.40 0.00 -2.03 -1.07 119.26 120.13 2k4x h ALA 34 Ca -0.43 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.10 2k4x h ALA 34 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k4x h ALA 34 CO 0.55 -0.79 -1.91 0.22 0.00 0.00 0.00 179.25 177.31 2k4x h ASP 35 N 0.00 0.41 -5.75 0.00 3.58 -1.98 -3.46 116.42 109.22 2k4x h ASP 35 Ca 0.30 -0.85 0.31 0.00 0.42 0.00 0.00 57.03 57.21 2k4x h ASP 35 Cb 1.23 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 42.06 2k4x h ASP 35 CO -0.00 1.76 0.82 0.00 -2.88 0.00 0.00 179.24 178.94 2k4x s ARG 36 N -2.57 0.52 0.18 0.28 1.70 -0.41 -2.51 118.95 116.14 2k4x s ARG 36 Ca -0.19 -0.32 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 2k4x s ARG 36 Cb 0.07 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2k4x s ARG 36 CO 0.79 -0.24 0.34 0.71 -1.08 0.00 0.00 175.30 175.82 2k4x s TYR 37 N -2.25 3.48 0.12 5.89 2.02 0.17 -0.33 117.35 126.46 2k4x s TYR 37 Ca 0.22 0.24 -0.16 0.00 -0.37 0.00 0.00 57.07 57.00 2k4x s TYR 37 Cb 0.01 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 2k4x s TYR 37 CO -0.01 0.44 0.39 -1.54 -1.57 0.00 0.00 175.55 173.26 2k4x s SER 38 N -3.19 -0.21 -0.08 2.29 1.04 -0.48 -2.28 113.70 110.79 2k4x s SER 38 Ca 0.37 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 2k4x s SER 38 Cb -0.11 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.51 2k4x s SER 38 CO 0.29 -0.83 0.15 0.00 0.98 0.00 0.00 173.24 173.83 2k4x n GLY 40 N 4.75 -2.63 5.00 0.00 0.00 -1.26 -1.21 105.19 109.83 2k4x n GLY 40 Ca -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.98 0.00 0.00 1.61 0.63 -1.26 -3.64 116.66 110.03 2k4x n ARG 41 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2k4x n ARG 41 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 2k4x n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k4x n GLY 43 N 0.83 0.56 3.67 0.00 0.00 -0.35 -4.98 105.19 104.93 2k4x n GLY 43 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.06 2.11 -0.04 1.61 6.14 -1.18 -4.72 117.35 119.21 2k4x s TYR 44 Ca 0.00 0.23 0.01 0.00 0.64 0.00 0.00 57.07 57.96 2k4x s TYR 44 Cb 0.00 -3.93 0.02 0.00 0.42 0.00 0.00 41.96 38.47 2k4x s TYR 44 CO 0.00 -3.85 -0.05 0.99 0.64 0.00 0.00 175.55 173.27 2k4x s THR 45 N 3.58 0.56 0.01 4.34 2.01 -1.26 0.09 115.64 124.97 2k4x s THR 45 Ca 0.74 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2k4x s THR 45 Cb -0.35 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 2k4x s THR 45 CO 0.31 0.22 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.74 2k4x s GLU 46 N 0.67 0.10 0.60 4.92 2.12 -0.97 -5.00 118.70 121.15 2k4x s GLU 46 Ca -0.09 -0.19 -0.14 0.00 0.36 0.00 0.00 54.97 54.91 2k4x s GLU 46 Cb -0.12 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 2k4x s GLU 46 CO 0.00 -0.01 1.04 -0.06 -0.54 0.00 0.00 175.26 175.69 2k4x s PHE 47 N -0.45 3.18 -0.40 5.30 0.08 -1.26 0.45 117.98 124.88 2k4x s PHE 47 Ca -0.05 1.46 -0.28 0.00 0.12 0.00 0.00 56.93 58.19 2k4x s PHE 47 Cb -0.03 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 2k4x s PHE 47 CO -0.00 -0.93 1.96 0.15 -0.10 0.00 0.00 175.22 176.29 2k4x s LYS 48 N -4.40 2.96 -0.41 0.44 -0.14 -1.04 -4.61 119.74 112.54 2k4x s LYS 48 Ca 0.60 1.33 -0.18 0.00 -1.36 0.00 0.00 55.97 56.36 2k4x s LYS 48 Cb -0.14 -4.32 0.02 0.00 -1.68 0.00 0.00 37.83 31.71 2k4x s LYS 48 CO 0.41 -2.30 0.49 0.15 -0.76 0.00 0.00 175.35 173.34 2k4x s LYS 49 N 6.45 3.25 0.20 1.68 1.02 -1.26 -4.91 119.74 126.18 2k4x s LYS 49 Ca 0.82 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.26 2k4x s LYS 49 Cb -0.21 -3.93 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 2k4x s LYS 49 CO 0.30 -0.83 0.00 0.00 -0.92 0.00 0.00 175.35 173.90 2k4x n ALA 50 N 5.74 -2.44 -3.82 5.17 0.00 -1.26 -5.08 120.51 118.82 2k4x n ALA 50 Ca -0.06 0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 2k4x n ALA 50 Cb 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2k4x n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k4x n LYS 51 N 0.32 0.80 -3.78 0.00 5.02 -1.26 -5.16 118.16 114.09 2k4x n LYS 51 Ca 0.00 -2.90 -0.13 0.00 -2.02 0.00 0.00 58.31 53.26 2k4x n LYS 51 Cb 0.00 0.30 -0.12 0.00 -0.02 0.00 0.00 35.03 35.19 2k4x n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k4x s LYS 52 N -3.91 0.25 0.47 1.97 0.00 -1.26 -5.13 119.74 112.13 2k4x s LYS 52 Ca 0.27 0.36 0.00 0.00 0.00 0.00 0.00 55.97 56.59 2k4x s LYS 52 Cb -0.02 0.08 0.00 0.00 0.00 0.00 0.00 37.83 37.89 2k4x s LYS 52 CO 0.17 -0.06 0.00 0.43 0.00 0.00 0.00 175.35 175.89 2k4x n SER 53 N 3.21 -7.01 -1.66 0.03 7.64 -1.26 -4.35 113.62 110.23 2k4x n SER 53 Ca -0.15 1.16 0.03 0.00 1.01 0.00 0.00 58.87 60.92 2k4x n SER 53 Cb 0.57 -3.26 0.33 0.00 -1.01 0.00 0.00 64.21 60.84 2k4x n SER 53 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k4x n LYS 54 N -3.51 3.93 0.00 1.43 5.02 -1.26 -5.30 118.16 118.47 2k4x n LYS 54 Ca 0.01 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 2k4x n LYS 54 Cb 0.49 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 2k4x n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31