#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 4.61 -0.08 0.03 -2.07 -1.26 -5.05 119.66 115.84 2k4x s GLN 2 Ca 0.00 1.28 -0.03 0.00 -1.82 0.00 0.00 55.36 54.79 2k4x s GLN 2 Cb 0.00 -3.37 0.04 0.00 -1.09 0.00 0.00 33.01 28.60 2k4x s GLN 2 CO 0.00 0.26 0.12 0.15 -1.32 0.00 0.00 175.29 174.50 2k4x s LYS 3 N -0.09 0.00 0.00 9.60 1.02 -1.26 -5.01 119.74 124.01 2k4x s LYS 3 Ca 0.43 0.41 0.29 0.00 0.02 0.00 0.00 55.97 57.12 2k4x s LYS 3 Cb -0.22 -0.57 1.17 0.00 -0.52 0.00 0.00 37.83 37.69 2k4x s LYS 3 CO 0.27 -0.37 1.86 -2.13 -0.92 0.00 0.00 175.35 174.06 2k4x n ARG 4 N 5.31 0.14 -3.78 1.68 0.63 -1.26 -4.13 116.66 115.25 2k4x n ARG 4 Ca -0.04 -0.02 -0.28 0.00 -0.92 0.00 0.00 57.85 56.58 2k4x n ARG 4 Cb 0.50 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.80 2k4x n ARG 4 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2k4x n GLU 5 N -1.41 1.87 -2.68 -0.14 2.13 -1.26 -5.06 120.64 114.09 2k4x n GLU 5 Ca 0.09 -4.45 -0.43 0.00 0.66 0.00 0.00 57.16 53.03 2k4x n GLU 5 Cb 0.32 -2.24 -0.03 0.00 0.27 0.00 0.00 31.44 29.76 2k4x n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k4x s LEU 6 N -1.58 3.74 0.00 4.31 1.43 -1.26 -4.92 118.68 120.40 2k4x s LEU 6 Ca 0.28 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2k4x s LEU 6 Cb -0.00 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.95 2k4x s LEU 6 CO -0.14 -1.26 0.00 -1.22 0.23 0.00 0.00 176.35 173.96 2k4x n TYR 7 N 7.77 -2.22 -3.85 0.29 4.01 -1.26 -4.66 117.16 117.24 2k4x n TYR 7 Ca 0.08 0.33 -0.36 0.00 -0.16 0.00 0.00 57.90 57.79 2k4x n TYR 7 Cb 0.49 -0.39 -0.13 0.00 -0.31 0.00 0.00 39.34 39.00 2k4x n TYR 7 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2k4x s GLU 8 N -0.42 2.37 0.19 -0.72 2.02 -1.26 -5.09 118.70 115.78 2k4x s GLU 8 Ca 0.00 -1.37 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 2k4x s GLU 8 Cb 0.00 -3.32 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 2k4x s GLU 8 CO 0.00 -0.72 1.32 0.96 0.02 0.00 0.00 175.26 176.83 2k4x s ILE 9 N 1.25 3.24 -0.14 -1.63 -4.36 -1.26 -4.96 121.20 113.35 2k4x s ILE 9 Ca -0.02 1.00 -0.29 0.00 -0.26 0.00 0.00 60.65 61.08 2k4x s ILE 9 Cb -0.20 -3.64 -0.03 0.00 1.25 0.00 0.00 42.46 39.84 2k4x s ILE 9 CO -0.01 0.14 1.48 0.00 0.24 0.00 0.00 174.94 176.79 2k4x s ALA 10 N 0.25 3.57 0.00 2.27 0.00 -1.26 -4.99 121.76 121.59 2k4x s ALA 10 Ca 0.58 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2k4x s ALA 10 Cb -0.36 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.05 2k4x s ALA 10 CO 0.37 -1.41 0.22 0.34 0.00 0.00 0.00 175.76 175.28 2k4x s ASP 11 N 2.92 -0.07 0.00 0.00 2.15 -1.26 -4.94 116.67 115.46 2k4x s ASP 11 Ca 0.65 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.53 2k4x s ASP 11 Cb -0.27 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 2k4x s ASP 11 CO 0.23 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 2k4x n GLY 12 N 1.25 0.82 3.82 2.66 0.00 -1.26 -5.13 105.19 107.36 2k4x n GLY 12 Ca -0.22 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 0.05 3.89 0.42 1.61 -2.85 -1.26 -5.09 119.74 116.51 2k4x s LYS 13 Ca 0.00 1.10 0.04 0.00 -1.00 0.00 0.00 55.97 56.11 2k4x s LYS 13 Cb 0.00 -2.12 -0.05 0.00 -2.06 0.00 0.00 37.83 33.60 2k4x s LYS 13 CO 0.00 -0.32 0.04 -0.51 0.10 0.00 0.00 175.35 174.65 2k4x s LEU 14 N -3.82 2.43 0.00 2.77 1.43 -1.26 -5.03 118.68 115.20 2k4x s LEU 14 Ca 0.62 -1.50 0.19 0.00 -1.03 0.00 0.00 54.13 52.41 2k4x s LEU 14 Cb -0.12 -0.62 1.16 0.00 0.03 0.00 0.00 46.19 46.63 2k4x s LEU 14 CO 0.26 -0.67 1.67 1.33 0.23 0.00 0.00 176.35 179.17 2k4x n VAL 15 N -0.99 0.00 -2.16 -1.59 0.24 -1.26 -4.76 118.33 107.81 2k4x n VAL 15 Ca -0.09 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 2k4x n VAL 15 Cb 0.67 -0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 2k4x n VAL 15 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2k4x s ARG 16 N -2.00 4.05 -0.57 7.34 3.52 -1.26 -4.86 118.95 125.18 2k4x s ARG 16 Ca 0.29 1.84 -0.31 0.00 -0.13 0.00 0.00 55.73 57.43 2k4x s ARG 16 Cb 0.13 -3.94 -0.13 0.00 -1.56 0.00 0.00 34.95 29.45 2k4x s ARG 16 CO 0.22 -0.97 2.41 1.17 -0.81 0.00 0.00 175.30 177.32 2k4x n LYS 17 N 7.19 0.79 -4.54 5.12 4.81 -1.26 -4.93 118.16 125.34 2k4x n LYS 17 Ca 0.17 0.11 -0.26 0.00 -0.87 0.00 0.00 58.31 57.46 2k4x n LYS 17 Cb 0.44 -2.56 -0.10 0.00 0.02 0.00 0.00 35.03 32.83 2k4x n LYS 17 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2k4x s HIS 18 N 9.51 2.44 0.18 5.64 3.76 -1.26 -5.16 115.29 130.40 2k4x s HIS 18 Ca 1.12 -0.53 0.10 0.00 -0.15 0.00 0.00 55.06 55.60 2k4x s HIS 18 Cb -0.72 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 2k4x s HIS 18 CO 0.41 0.54 -0.16 1.03 -0.85 0.00 0.00 174.74 175.70 2k4x s ARG 19 N -3.64 1.80 0.02 1.40 0.52 -1.26 -5.07 118.95 112.71 2k4x s ARG 19 Ca 0.33 -1.38 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 2k4x s ARG 19 Cb 0.04 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 2k4x s ARG 19 CO 0.17 0.42 -0.16 -0.06 0.02 0.00 0.00 175.30 175.70 2k4x s PHE 20 N -1.66 2.63 -0.03 -0.53 0.40 -1.26 -1.30 117.98 116.23 2k4x s PHE 20 Ca 0.23 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 2k4x s PHE 20 Cb -0.08 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 2k4x s PHE 20 CO 0.12 0.25 1.48 0.00 0.70 0.00 0.00 175.22 177.78 2k4x n PRO 22 N 6.12 -0.06 -0.13 0.00 -0.02 -1.26 0.79 135.00 140.45 2k4x n PRO 22 Ca 0.15 1.05 -0.27 0.00 -2.02 0.00 0.00 63.50 62.41 2k4x n PRO 22 Cb 0.43 -1.66 -0.11 0.00 -0.02 0.00 0.00 33.50 32.15 2k4x n PRO 22 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k4x n ARG 23 N -4.96 0.59 0.00 -0.52 5.12 -1.26 -4.38 116.66 111.25 2k4x n ARG 23 Ca 0.16 0.32 0.16 0.00 -1.93 0.00 0.00 57.85 56.56 2k4x n ARG 23 Cb 0.52 -1.56 0.89 0.00 -1.16 0.00 0.00 32.46 31.15 2k4x n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k4x n GLY 25 N 1.04 -2.30 3.58 0.00 0.00 0.24 -0.65 105.19 107.09 2k4x n GLY 25 Ca 0.23 0.92 -0.20 0.00 0.00 0.00 0.00 46.02 46.97 2k4x n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k4x s PRO 26 N -4.99 1.79 0.00 1.61 0.02 -1.26 -2.36 135.00 129.81 2k4x s PRO 26 Ca -0.08 -0.62 0.00 0.00 0.02 0.00 0.00 61.00 60.32 2k4x s PRO 26 Cb 0.08 -5.07 0.00 0.00 0.02 0.00 0.00 34.50 29.53 2k4x s PRO 26 CO 0.43 -4.72 0.00 0.41 -0.33 0.00 0.00 177.00 172.80 2k4x n GLY 27 N 6.13 1.23 2.68 0.52 0.00 -1.20 -5.05 105.19 109.50 2k4x n GLY 27 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.80 0.73 1.12 1.61 1.01 0.18 -4.74 120.40 119.50 2k4x s VAL 28 Ca 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.40 2k4x s VAL 28 Cb 0.00 -1.55 0.25 0.00 0.00 0.00 0.00 36.38 35.08 2k4x s VAL 28 CO 0.00 -0.72 1.09 0.72 0.00 0.00 0.00 175.10 176.18 2k4x s PHE 29 N 1.55 1.21 -0.57 5.22 -0.71 -1.26 -3.60 117.98 119.82 2k4x s PHE 29 Ca 0.11 0.75 -0.19 0.00 -1.04 0.00 0.00 56.93 56.56 2k4x s PHE 29 Cb -0.18 -3.32 0.09 0.00 -1.21 0.00 0.00 43.02 38.40 2k4x s PHE 29 CO -0.23 -3.52 0.67 -1.17 -1.34 0.00 0.00 175.22 169.64 2k4x s LEU 30 N -6.80 5.31 -0.27 -1.99 2.96 -0.42 -4.58 118.68 112.90 2k4x s LEU 30 Ca 0.68 -1.32 -0.32 0.00 -0.22 0.00 0.00 54.13 52.95 2k4x s LEU 30 Cb -0.15 -2.33 -0.09 0.00 0.50 0.00 0.00 46.19 44.12 2k4x s LEU 30 CO 0.57 -1.05 2.16 0.00 -1.32 0.00 0.00 176.35 176.72 2k4x n ALA 31 N 6.25 1.31 -2.68 5.97 0.00 0.14 -4.60 120.51 126.91 2k4x n ALA 31 Ca -0.09 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 2k4x n ALA 31 Cb 0.43 -2.68 -0.04 0.00 0.00 0.00 0.00 19.45 17.16 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 5.98 4.33 0.14 0.00 2.12 -1.26 -0.82 118.70 129.18 2k4x s GLU 32 Ca 1.04 1.02 0.07 0.00 0.36 0.00 0.00 54.97 57.46 2k4x s GLU 32 Cb -0.64 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.15 2k4x s GLU 32 CO 0.44 -0.27 -0.15 -1.01 -0.54 0.00 0.00 175.26 173.74 2k4x s HIS 33 N 1.94 1.53 0.56 5.30 3.76 0.99 -4.98 115.29 124.38 2k4x s HIS 33 Ca 0.39 -0.55 0.23 0.00 -0.15 0.00 0.00 55.06 54.98 2k4x s HIS 33 Cb -0.17 -0.78 1.55 0.00 1.11 0.00 0.00 32.58 34.30 2k4x s HIS 33 CO 0.14 0.21 2.20 0.00 -0.85 0.00 0.00 174.74 176.44 2k4x h ALA 34 N 3.29 1.77 0.24 -1.40 0.00 -2.02 -1.33 119.26 119.82 2k4x h ALA 34 Ca -0.40 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.18 2k4x h ALA 34 Cb 1.20 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.03 2k4x h ALA 34 CO 0.53 -0.02 -1.48 -0.44 0.00 0.00 0.00 179.25 177.84 2k4x h ASP 35 N 0.00 0.79 -5.80 0.00 3.32 -1.96 -3.45 116.42 109.33 2k4x h ASP 35 Ca 0.01 -0.87 0.33 0.00 0.02 0.00 0.00 57.03 56.52 2k4x h ASP 35 Cb 0.03 -0.26 -0.11 0.00 0.22 0.00 0.00 39.33 39.21 2k4x h ASP 35 CO -0.00 1.68 0.85 0.00 -1.72 0.00 0.00 179.24 180.05 2k4x s ARG 36 N -2.60 0.38 0.08 3.56 1.70 -0.50 -2.61 118.95 118.97 2k4x s ARG 36 Ca -0.09 -0.22 -0.02 0.00 -0.47 0.00 0.00 55.73 54.93 2k4x s ARG 36 Cb 0.04 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 2k4x s ARG 36 CO 0.94 -0.18 0.27 0.71 -1.08 0.00 0.00 175.30 175.96 2k4x s TYR 37 N -2.33 3.51 0.16 5.89 1.51 0.12 -0.01 117.35 126.20 2k4x s TYR 37 Ca 0.17 0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 56.47 2k4x s TYR 37 Cb 0.04 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 2k4x s TYR 37 CO -0.03 0.54 0.39 0.45 -1.11 0.00 0.00 175.55 175.78 2k4x s SER 38 N -2.41 -0.13 -0.12 2.29 0.15 -0.00 -0.91 113.70 112.57 2k4x s SER 38 Ca 0.36 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 2k4x s SER 38 Cb -0.13 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2k4x s SER 38 CO 0.26 -0.92 -0.06 0.00 1.20 0.00 0.00 173.24 173.72 2k4x s GLY 40 N 1.72 2.03 0.00 0.00 0.00 -1.26 -0.13 107.32 109.68 2k4x s GLY 40 Ca 0.04 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.53 2k4x s GLY 40 CO -0.08 1.19 0.00 0.54 0.00 0.00 0.00 173.10 174.75 2k4x n ARG 41 N -3.56 0.00 0.00 2.90 3.00 -1.26 -4.27 116.66 113.47 2k4x n ARG 41 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.99 2k4x n ARG 41 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.96 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 0.82 1.20 3.64 0.00 0.00 0.82 -4.94 105.19 106.74 2k4x n GLY 43 Ca 0.01 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.39 1.48 0.05 1.61 5.04 -1.22 -4.65 117.35 117.27 2k4x s TYR 44 Ca 0.00 -0.02 0.09 0.00 -2.44 0.00 0.00 57.07 54.70 2k4x s TYR 44 Cb 0.00 -4.09 -0.03 0.00 0.35 0.00 0.00 41.96 38.19 2k4x s TYR 44 CO 0.00 -4.64 -0.25 0.99 -1.34 0.00 0.00 175.55 170.31 2k4x s THR 45 N 5.28 2.03 -0.17 4.34 2.01 -1.26 -0.00 115.64 127.87 2k4x s THR 45 Ca 0.86 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 2k4x s THR 45 Cb -0.37 -1.75 0.08 0.00 0.01 0.00 0.00 72.50 70.47 2k4x s THR 45 CO 0.37 0.31 0.22 -0.70 -0.69 0.00 0.00 174.62 174.13 2k4x s GLU 46 N -1.28 0.16 0.56 4.92 2.12 -0.09 -4.97 118.70 120.12 2k4x s GLU 46 Ca 0.11 0.40 -0.20 0.00 0.36 0.00 0.00 54.97 55.65 2k4x s GLU 46 Cb -0.10 -0.75 -0.05 0.00 0.26 0.00 0.00 34.13 33.49 2k4x s GLU 46 CO 0.02 -0.51 1.18 -0.06 -0.54 0.00 0.00 175.26 175.36 2k4x s PHE 47 N 2.35 2.52 -1.11 5.30 0.08 -1.26 0.14 117.98 126.00 2k4x s PHE 47 Ca 0.05 1.52 -0.22 0.00 0.12 0.00 0.00 56.93 58.40 2k4x s PHE 47 Cb -0.14 -3.42 -0.10 0.00 -0.57 0.00 0.00 43.02 38.78 2k4x s PHE 47 CO -0.10 -1.97 1.93 1.63 -0.10 0.00 0.00 175.22 176.61 2k4x n LYS 48 N -1.36 1.61 -4.45 0.44 4.76 -1.07 -4.73 118.16 113.35 2k4x n LYS 48 Ca 0.12 -2.37 -0.34 0.00 -2.87 0.00 0.00 58.31 52.85 2k4x n LYS 48 Cb 0.50 -3.58 -0.11 0.00 -1.84 0.00 0.00 35.03 30.00 2k4x n LYS 48 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k4x s LYS 49 N 6.17 3.16 0.19 1.97 2.20 -1.26 -4.94 119.74 127.23 2k4x s LYS 49 Ca 0.66 -0.49 -0.33 0.00 -0.36 0.00 0.00 55.97 55.46 2k4x s LYS 49 Cb 0.02 -2.78 -0.13 0.00 -1.51 0.00 0.00 37.83 33.43 2k4x s LYS 49 CO 0.13 0.53 1.63 0.00 -0.36 0.00 0.00 175.35 177.29 2k4x n ALA 50 N 2.65 2.05 -2.65 3.13 0.00 -1.26 -4.94 120.51 119.50 2k4x n ALA 50 Ca -0.18 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2k4x n ALA 50 Cb 0.53 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 2k4x n ALA 50 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k4x s LYS 51 N 0.88 3.35 -0.02 0.00 3.01 -1.26 -4.62 119.74 121.08 2k4x s LYS 51 Ca 0.76 -0.22 -0.02 0.00 -1.01 0.00 0.00 55.97 55.48 2k4x s LYS 51 Cb -0.59 -4.05 0.01 0.00 -1.01 0.00 0.00 37.83 32.18 2k4x s LYS 51 CO 0.37 -1.51 0.04 1.63 0.51 0.00 0.00 175.35 176.38 2k4x n LYS 52 N 7.57 -3.08 -4.59 1.68 5.02 -1.26 -5.10 118.16 118.40 2k4x n LYS 52 Ca 0.02 2.45 -0.28 0.00 -2.02 0.00 0.00 58.31 58.48 2k4x n LYS 52 Cb 0.48 -3.17 -0.07 0.00 -0.02 0.00 0.00 35.03 32.25 2k4x n LYS 52 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2k4x s SER 53 N -0.37 3.23 1.13 4.39 1.04 -1.26 -5.15 113.70 116.71 2k4x s SER 53 Ca -0.04 -1.74 -0.12 0.00 0.48 0.00 0.00 55.95 54.53 2k4x s SER 53 Cb 0.00 0.64 0.26 0.00 0.10 0.00 0.00 66.02 67.03 2k4x s SER 53 CO 0.11 -0.98 1.04 -0.54 0.98 0.00 0.00 173.24 173.85 2k4x s LYS 54 N -3.71 -0.65 0.00 4.02 -0.14 -1.26 -5.23 119.74 112.77 2k4x s LYS 54 Ca 0.16 0.90 0.28 0.00 -1.36 0.00 0.00 55.97 55.96 2k4x s LYS 54 Cb 0.01 -1.58 1.66 0.00 -1.68 0.00 0.00 37.83 36.23 2k4x s LYS 54 CO 0.12 -3.56 2.00 0.45 -0.76 0.00 0.00 175.35 173.59