#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 4.16 -0.23 2.12 0.74 -1.26 -4.90 119.66 120.29 2k4x s GLN 2 Ca 0.00 1.35 -0.18 0.00 0.05 0.00 0.00 55.36 56.58 2k4x s GLN 2 Cb 0.00 -3.73 -0.15 0.00 1.10 0.00 0.00 33.01 30.23 2k4x s GLN 2 CO 0.00 -0.78 -0.05 1.63 -0.55 0.00 0.00 175.29 175.54 2k4x n LYS 3 N 6.67 0.57 -3.60 1.67 4.76 -1.26 -4.96 118.16 122.01 2k4x n LYS 3 Ca 0.13 0.44 -0.37 0.00 -2.87 0.00 0.00 58.31 55.64 2k4x n LYS 3 Cb 0.46 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 2k4x n LYS 3 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k4x s ARG 4 N -2.43 3.86 0.00 1.97 1.70 -1.26 -4.91 118.95 117.87 2k4x s ARG 4 Ca -0.32 0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 2k4x s ARG 4 Cb 0.09 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.22 2k4x s ARG 4 CO 0.53 0.63 0.00 -0.85 -1.08 0.00 0.00 175.30 174.52 2k4x n GLU 5 N 2.19 0.00 -2.71 3.89 0.28 -1.26 -5.14 120.64 117.89 2k4x n GLU 5 Ca -0.15 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.82 2k4x n GLU 5 Cb 0.53 -0.38 -0.03 0.00 1.43 0.00 0.00 31.44 32.99 2k4x n GLU 5 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2k4x n LEU 6 N -1.73 -6.49 -4.56 -1.84 4.32 -1.26 -4.87 117.00 100.57 2k4x n LEU 6 Ca 0.00 1.85 -0.41 0.00 -0.02 0.00 0.00 56.01 57.44 2k4x n LEU 6 Cb 0.00 -3.09 -0.03 0.00 -1.62 0.00 0.00 43.42 38.68 2k4x n LEU 6 CO 0.00 -3.60 1.32 -0.31 -1.22 0.00 0.00 177.39 173.58 2k4x s TYR 7 N -0.93 2.13 -0.34 -1.77 2.02 -1.26 -4.97 117.35 112.23 2k4x s TYR 7 Ca -0.17 0.42 -0.27 0.00 -0.37 0.00 0.00 57.07 56.68 2k4x s TYR 7 Cb 0.01 -4.38 0.01 0.00 -0.40 0.00 0.00 41.96 37.21 2k4x s TYR 7 CO 0.69 -2.10 1.00 -1.21 -1.57 0.00 0.00 175.55 172.36 2k4x s GLU 8 N 5.90 3.97 0.68 -0.62 2.02 -1.26 -5.02 118.70 124.38 2k4x s GLU 8 Ca 0.52 0.85 -0.12 0.00 0.02 0.00 0.00 54.97 56.24 2k4x s GLU 8 Cb -0.11 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.36 2k4x s GLU 8 CO 0.22 -0.91 1.07 0.96 0.02 0.00 0.00 175.26 176.62 2k4x s ILE 9 N 3.55 3.83 -0.33 -1.63 -4.36 -1.26 -5.06 121.20 115.94 2k4x s ILE 9 Ca 0.42 0.67 0.05 0.00 -0.26 0.00 0.00 60.65 61.53 2k4x s ILE 9 Cb -0.12 -3.31 0.19 0.00 1.25 0.00 0.00 42.46 40.48 2k4x s ILE 9 CO 0.17 -0.71 0.64 0.00 0.24 0.00 0.00 174.94 175.28 2k4x s ALA 10 N -2.85 -2.54 0.05 2.27 0.00 -1.26 -5.16 121.76 112.26 2k4x s ALA 10 Ca 0.60 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 2k4x s ALA 10 Cb -0.15 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2k4x s ALA 10 CO 0.50 -2.00 0.20 0.16 0.00 0.00 0.00 175.76 174.62 2k4x s ASP 11 N 2.46 0.04 -0.33 0.00 -4.77 -1.26 -5.06 116.67 107.75 2k4x s ASP 11 Ca 0.13 -0.39 0.12 0.00 -3.30 0.00 0.00 52.55 49.12 2k4x s ASP 11 Cb -0.07 0.30 0.39 0.00 -1.09 0.00 0.00 42.92 42.45 2k4x s ASP 11 CO -0.19 -0.58 1.50 0.61 0.70 0.00 0.00 175.17 177.22 2k4x n GLY 12 N 0.60 1.92 3.73 2.12 0.00 -1.26 -5.14 105.19 107.16 2k4x n GLY 12 Ca -0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 2k4x n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4x s LYS 13 N 0.13 1.65 0.61 1.61 -2.85 -1.26 -5.16 119.74 114.47 2k4x s LYS 13 Ca 0.09 -0.98 -0.19 0.00 -1.00 0.00 0.00 55.97 53.90 2k4x s LYS 13 Cb 0.43 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.75 2k4x s LYS 13 CO -0.12 -0.73 1.28 -0.48 0.10 0.00 0.00 175.35 175.39 2k4x s LEU 14 N -2.92 3.66 -0.12 2.77 0.05 -1.26 -4.96 118.68 115.91 2k4x s LEU 14 Ca 0.12 2.58 0.19 0.00 0.05 0.00 0.00 54.13 57.07 2k4x s LEU 14 Cb -0.04 -4.54 -0.27 0.00 -2.05 0.00 0.00 46.19 39.29 2k4x s LEU 14 CO 0.04 -1.78 0.26 1.33 -0.55 0.00 0.00 176.35 175.66 2k4x n VAL 15 N -1.61 0.92 -1.12 1.48 0.24 -1.26 -5.11 118.33 111.87 2k4x n VAL 15 Ca 0.14 -0.73 0.14 0.00 -2.04 0.00 0.00 64.34 61.85 2k4x n VAL 15 Cb 0.48 -0.33 -0.07 0.00 -1.47 0.00 0.00 33.84 32.45 2k4x n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k4x n ARG 16 N -2.60 -2.56 -3.00 7.34 1.74 -1.26 -4.65 116.66 111.67 2k4x n ARG 16 Ca -0.22 2.07 -0.44 0.00 -0.77 0.00 0.00 57.85 58.49 2k4x n ARG 16 Cb 0.94 -3.01 -0.04 0.00 -1.02 0.00 0.00 32.46 29.34 2k4x n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2k4x s LYS 17 N -3.80 3.20 -1.08 5.56 1.02 -1.26 -4.98 119.74 118.40 2k4x s LYS 17 Ca 0.00 -1.29 -0.22 0.00 0.02 0.00 0.00 55.97 54.47 2k4x s LYS 17 Cb 0.00 -4.39 -0.01 0.00 -0.52 0.00 0.00 37.83 32.91 2k4x s LYS 17 CO 0.00 -1.67 1.78 -3.38 -0.92 0.00 0.00 175.35 171.16 2k4x s HIS 18 N 3.05 2.21 -0.66 3.18 -3.43 -1.26 -4.92 115.29 113.46 2k4x s HIS 18 Ca 0.20 -0.21 -0.27 0.00 -0.80 0.00 0.00 55.06 53.97 2k4x s HIS 18 Cb -0.17 -4.33 0.02 0.00 -1.43 0.00 0.00 32.58 26.67 2k4x s HIS 18 CO 0.04 -1.66 1.35 1.03 -2.00 0.00 0.00 174.74 173.50 2k4x s ARG 19 N 5.83 3.21 0.45 -0.38 0.52 -1.26 -5.01 118.95 122.31 2k4x s ARG 19 Ca 0.61 0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.80 2k4x s ARG 19 Cb -0.01 -4.16 -0.05 0.00 0.52 0.00 0.00 34.95 31.24 2k4x s ARG 19 CO 0.02 -2.09 0.81 -0.06 0.02 0.00 0.00 175.30 174.00 2k4x s PHE 20 N 6.02 3.51 -0.14 -0.53 0.08 -1.26 -4.35 117.98 121.31 2k4x s PHE 20 Ca 0.43 1.02 -0.29 0.00 0.12 0.00 0.00 56.93 58.21 2k4x s PHE 20 Cb -0.09 -2.44 -0.06 0.00 -0.57 0.00 0.00 43.02 39.86 2k4x s PHE 20 CO 0.19 -0.21 1.99 0.00 -0.10 0.00 0.00 175.22 177.09 2k4x n PRO 22 N 8.09 -0.23 0.06 0.00 -0.02 -1.26 0.21 135.00 141.86 2k4x n PRO 22 Ca 0.24 1.36 -0.13 0.00 -2.02 0.00 0.00 63.50 62.95 2k4x n PRO 22 Cb 0.44 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.16 -0.00 -0.52 3.08 -1.98 -3.24 114.38 111.87 2k4x h ARG 23 Ca 0.29 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2k4x h ARG 23 Cb 0.51 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2k4x h ARG 23 CO -0.87 1.04 -0.34 0.00 -1.07 0.00 0.00 179.97 178.72 2k4x h GLY 25 N 4.95 -1.74 -7.25 0.00 0.00 0.25 -0.31 103.07 98.98 2k4x h GLY 25 Ca 0.00 0.93 -0.17 0.00 0.00 0.00 0.00 47.33 48.08 2k4x h GLY 25 CO 0.00 -0.51 0.56 -1.55 0.00 0.00 0.00 176.54 175.05 2k4x n PRO 26 N -4.02 0.82 0.00 4.80 -0.04 -1.26 -1.90 135.00 133.40 2k4x n PRO 26 Ca 0.00 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 2k4x n PRO 26 Cb 0.13 -3.82 0.00 0.00 -0.04 0.00 0.00 33.50 29.78 2k4x n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4x n GLY 27 N 5.93 1.50 2.73 0.55 0.00 -1.22 -5.08 105.19 109.60 2k4x n GLY 27 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.88 0.67 0.90 1.61 1.01 -0.13 -5.14 120.40 118.45 2k4x s VAL 28 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 2k4x s VAL 28 Cb 0.00 -1.32 0.13 0.00 0.00 0.00 0.00 36.38 35.20 2k4x s VAL 28 CO 0.00 -0.42 1.13 0.72 0.00 0.00 0.00 175.10 176.53 2k4x s PHE 29 N 1.76 1.83 -0.46 5.22 -0.71 -1.26 -3.93 117.98 120.42 2k4x s PHE 29 Ca 0.04 1.70 -0.11 0.00 -1.04 0.00 0.00 56.93 57.51 2k4x s PHE 29 Cb -0.17 -3.26 0.10 0.00 -1.21 0.00 0.00 43.02 38.47 2k4x s PHE 29 CO -0.17 -2.64 0.34 -1.17 -1.34 0.00 0.00 175.22 170.25 2k4x s LEU 30 N -6.48 5.55 -0.55 -1.99 2.96 -1.26 -4.65 118.68 112.25 2k4x s LEU 30 Ca 0.66 -1.63 -0.26 0.00 -0.22 0.00 0.00 54.13 52.67 2k4x s LEU 30 Cb -0.22 -2.06 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 2k4x s LEU 30 CO 0.58 -0.65 2.37 0.00 -1.32 0.00 0.00 176.35 177.33 2k4x s ALA 31 N 1.47 1.51 -0.29 5.97 0.00 0.66 -4.73 121.76 126.35 2k4x s ALA 31 Ca 0.04 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 2k4x s ALA 31 Cb -0.25 -4.39 0.01 0.00 0.00 0.00 0.00 23.12 18.49 2k4x s ALA 31 CO 0.02 -4.68 1.18 -2.00 0.00 0.00 0.00 175.76 170.28 2k4x s GLU 32 N 8.28 4.04 0.17 0.00 2.12 -1.26 -0.54 118.70 131.51 2k4x s GLU 32 Ca 0.94 1.22 0.07 0.00 0.36 0.00 0.00 54.97 57.56 2k4x s GLU 32 Cb -0.16 -3.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2k4x s GLU 32 CO 0.22 -0.95 0.00 -1.01 -0.54 0.00 0.00 175.26 172.99 2k4x s HIS 33 N 3.87 2.87 0.58 5.30 3.76 0.99 -4.98 115.29 127.67 2k4x s HIS 33 Ca 0.50 -0.13 0.27 0.00 -0.15 0.00 0.00 55.06 55.56 2k4x s HIS 33 Cb -0.15 -1.39 1.65 0.00 1.11 0.00 0.00 32.58 33.80 2k4x s HIS 33 CO 0.18 0.51 2.15 0.00 -0.85 0.00 0.00 174.74 176.73 2k4x h ALA 34 N 2.74 1.77 0.18 -1.40 0.00 -2.02 -1.28 119.26 119.25 2k4x h ALA 34 Ca -0.47 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 2k4x h ALA 34 Cb 1.20 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k4x h ALA 34 CO 0.58 -0.18 -1.70 -0.44 0.00 0.00 0.00 179.25 177.51 2k4x h ASP 35 N 0.00 0.60 -5.56 0.00 3.32 -1.98 -3.45 116.42 109.35 2k4x h ASP 35 Ca 0.06 -0.87 0.29 0.00 0.02 0.00 0.00 57.03 56.53 2k4x h ASP 35 Cb 0.29 -0.20 -0.12 0.00 0.22 0.00 0.00 39.33 39.53 2k4x h ASP 35 CO -0.00 1.73 0.77 0.00 -1.72 0.00 0.00 179.24 180.02 2k4x s ARG 36 N -2.59 0.52 0.00 3.56 1.70 -0.48 -1.97 118.95 119.69 2k4x s ARG 36 Ca -0.14 -0.28 -0.06 0.00 -0.47 0.00 0.00 55.73 54.77 2k4x s ARG 36 Cb 0.06 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2k4x s ARG 36 CO 0.86 -0.24 0.26 0.71 -1.08 0.00 0.00 175.30 175.81 2k4x s TYR 37 N -2.57 3.58 0.03 5.89 1.51 0.92 -0.01 117.35 126.70 2k4x s TYR 37 Ca 0.13 0.56 0.02 0.00 -1.01 0.00 0.00 57.07 56.78 2k4x s TYR 37 Cb 0.03 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 2k4x s TYR 37 CO -0.03 0.62 -0.07 -1.54 -1.11 0.00 0.00 175.55 173.42 2k4x s SER 38 N -1.68 0.81 -0.44 2.29 1.04 0.30 -1.24 113.70 114.77 2k4x s SER 38 Ca 0.27 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.28 2k4x s SER 38 Cb -0.13 0.01 0.15 0.00 0.10 0.00 0.00 66.02 66.15 2k4x s SER 38 CO 0.16 -0.14 0.29 0.00 0.98 0.00 0.00 173.24 174.53 2k4x n GLY 40 N 3.29 0.63 1.23 0.00 0.00 -1.26 -1.37 105.19 107.71 2k4x n GLY 40 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 8.01 0.00 -0.00 1.61 3.00 -1.26 -4.92 116.66 123.10 2k4x n ARG 41 Ca 0.44 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.36 2k4x n ARG 41 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.83 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 1.39 0.74 3.61 0.00 0.00 -0.47 -5.02 105.19 105.45 2k4x n GLY 43 Ca 0.01 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 2.61 -0.08 1.61 5.04 -1.23 -4.87 117.35 118.44 2k4x s TYR 44 Ca 0.00 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.41 2k4x s TYR 44 Cb 0.00 -4.17 0.02 0.00 0.35 0.00 0.00 41.96 38.16 2k4x s TYR 44 CO 0.00 -1.69 -0.09 0.99 -1.34 0.00 0.00 175.55 173.42 2k4x s THR 45 N 4.80 0.96 -0.13 4.34 2.01 -1.26 -0.79 115.64 125.57 2k4x s THR 45 Ca 0.56 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 2k4x s THR 45 Cb -0.13 -0.94 0.03 0.00 0.01 0.00 0.00 72.50 71.47 2k4x s THR 45 CO 0.28 0.33 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.76 2k4x s GLU 46 N 1.18 1.67 0.52 4.92 2.12 -0.37 -4.97 118.70 123.76 2k4x s GLU 46 Ca -0.05 -0.36 -0.22 0.00 0.36 0.00 0.00 54.97 54.70 2k4x s GLU 46 Cb -0.14 -1.76 -0.06 0.00 0.26 0.00 0.00 34.13 32.43 2k4x s GLU 46 CO -0.02 -0.29 1.26 -0.06 -0.54 0.00 0.00 175.26 175.61 2k4x s PHE 47 N 1.65 2.52 -0.31 5.30 0.08 -1.26 -0.06 117.98 125.90 2k4x s PHE 47 Ca 0.04 1.46 -0.28 0.00 0.12 0.00 0.00 56.93 58.27 2k4x s PHE 47 Cb -0.13 -3.59 -0.06 0.00 -0.57 0.00 0.00 43.02 38.66 2k4x s PHE 47 CO -0.09 -2.28 2.28 1.63 -0.10 0.00 0.00 175.22 176.66 2k4x n LYS 48 N -0.92 1.63 -4.00 0.44 4.76 -0.83 -4.82 118.16 114.41 2k4x n LYS 48 Ca 0.10 0.37 -0.30 0.00 -2.87 0.00 0.00 58.31 55.61 2k4x n LYS 48 Cb 0.47 -3.20 -0.16 0.00 -1.84 0.00 0.00 35.03 30.30 2k4x n LYS 48 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2k4x s LYS 49 N 6.86 2.18 -0.67 1.97 -2.85 -1.26 -5.02 119.74 120.94 2k4x s LYS 49 Ca 1.02 -0.59 -0.25 0.00 -1.00 0.00 0.00 55.97 55.15 2k4x s LYS 49 Cb -0.36 -2.13 0.05 0.00 -2.06 0.00 0.00 37.83 33.33 2k4x s LYS 49 CO 0.34 -0.28 1.09 0.00 0.10 0.00 0.00 175.35 176.60 2k4x s ALA 50 N 1.49 2.98 -0.78 0.59 0.00 -1.26 -4.97 121.76 119.82 2k4x s ALA 50 Ca 0.04 -1.54 -0.26 0.00 0.00 0.00 0.00 51.96 50.20 2k4x s ALA 50 Cb -0.13 -4.00 -0.00 0.00 0.00 0.00 0.00 23.12 18.98 2k4x s ALA 50 CO -0.10 -2.90 1.69 0.21 0.00 0.00 0.00 175.76 174.65 2k4x s LYS 51 N 4.71 2.89 0.30 0.00 2.20 -1.26 -4.75 119.74 123.82 2k4x s LYS 51 Ca 0.29 -0.07 0.23 0.00 -0.36 0.00 0.00 55.97 56.06 2k4x s LYS 51 Cb -0.13 -4.66 0.25 0.00 -1.51 0.00 0.00 37.83 31.79 2k4x s LYS 51 CO 0.14 -2.68 1.38 0.87 -0.36 0.00 0.00 175.35 174.70 2k4x h LYS 52 N 12.14 0.00 -5.92 4.03 1.57 -2.07 -3.44 116.57 122.89 2k4x h LYS 52 Ca -0.11 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.22 2k4x h LYS 52 Cb 1.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2k4x h LYS 52 CO 1.26 0.00 1.24 -1.12 -0.57 0.00 0.00 179.45 180.26 2k4x s SER 53 N -5.54 5.22 -0.19 0.86 0.01 -1.26 -4.72 113.70 108.07 2k4x s SER 53 Ca 0.04 0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2k4x s SER 53 Cb 0.08 -2.53 -0.16 0.00 0.21 0.00 0.00 66.02 63.62 2k4x s SER 53 CO 0.71 -2.47 -0.09 2.29 0.41 0.00 0.00 173.24 174.10 2k4x n LYS 54 N 9.12 0.84 0.00 12.44 2.85 -1.26 -5.26 118.16 136.89 2k4x n LYS 54 Ca 0.25 0.07 0.10 0.00 -1.05 0.00 0.00 58.31 57.67 2k4x n LYS 54 Cb 0.51 -1.42 0.08 0.00 -0.65 0.00 0.00 35.03 33.55 2k4x n LYS 54 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78