#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 0.47 0.04 3.17 0.74 -1.26 -5.15 119.66 117.67 2k4x s GLN 2 Ca 0.00 -0.29 -0.24 0.00 0.05 0.00 0.00 55.36 54.88 2k4x s GLN 2 Cb 0.00 0.02 -0.06 0.00 1.10 0.00 0.00 33.01 34.08 2k4x s GLN 2 CO 0.00 -0.63 0.74 -1.59 -0.55 0.00 0.00 175.29 173.26 2k4x s LYS 3 N 1.54 4.47 -0.27 1.67 0.00 -1.26 -5.05 119.74 120.84 2k4x s LYS 3 Ca 0.19 1.02 0.02 0.00 0.00 0.00 0.00 55.97 57.21 2k4x s LYS 3 Cb 0.03 -3.35 0.06 0.00 0.00 0.00 0.00 37.83 34.57 2k4x s LYS 3 CO -0.11 0.31 -0.08 1.03 0.00 0.00 0.00 175.35 176.50 2k4x s ARG 4 N -0.13 2.20 -0.09 1.78 0.52 -1.26 -4.99 118.95 116.99 2k4x s ARG 4 Ca 0.37 -1.39 -0.26 0.00 -0.52 0.00 0.00 55.73 53.94 2k4x s ARG 4 Cb -0.20 -2.96 -0.22 0.00 0.52 0.00 0.00 34.95 32.09 2k4x s ARG 4 CO 0.22 -0.61 0.92 0.93 0.02 0.00 0.00 175.30 176.79 2k4x h GLU 5 N 7.79 -0.03 0.00 3.54 5.08 -2.09 -3.49 114.58 125.38 2k4x h GLU 5 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2k4x h GLU 5 Cb 1.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2k4x h GLU 5 CO 0.48 0.68 0.00 1.28 -1.00 0.00 0.00 179.01 180.45 2k4x n LEU 6 N -4.74 0.00 -3.43 1.33 4.77 -1.26 -4.76 117.00 108.91 2k4x n LEU 6 Ca -0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 2k4x n LEU 6 Cb 0.35 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 2k4x n LEU 6 CO 0.31 -0.92 -0.24 -0.72 -1.33 0.00 0.00 177.39 174.49 2k4x s TYR 7 N 0.00 0.07 0.07 -1.77 1.13 -1.26 -5.13 117.35 110.47 2k4x s TYR 7 Ca 0.00 -0.95 -0.05 0.00 -1.41 0.00 0.00 57.07 54.66 2k4x s TYR 7 Cb 0.00 -0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 40.16 2k4x s TYR 7 CO 0.00 -0.90 0.31 -1.21 -2.51 0.00 0.00 175.55 171.25 2k4x s GLU 8 N 1.61 3.59 -0.12 -3.49 8.01 -1.26 -4.85 118.70 122.19 2k4x s GLU 8 Ca 0.15 -0.12 -0.08 0.00 0.01 0.00 0.00 54.97 54.93 2k4x s GLU 8 Cb -0.17 -2.98 0.03 0.00 -4.31 0.00 0.00 34.13 26.70 2k4x s GLU 8 CO -0.13 0.57 0.16 -0.89 0.01 0.00 0.00 175.26 174.98 2k4x n ILE 9 N 0.57 -9.82 -2.04 -1.63 2.08 -1.26 -5.03 119.36 102.24 2k4x n ILE 9 Ca -0.07 1.94 -0.00 0.00 0.56 0.00 0.00 62.75 65.18 2k4x n ILE 9 Cb 0.52 -5.57 -0.00 0.00 -0.75 0.00 0.00 39.64 33.84 2k4x n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k4x n ALA 10 N 1.17 2.12 -0.07 -1.39 0.00 -1.26 -4.94 120.51 116.14 2k4x n ALA 10 Ca -0.28 -0.72 -0.11 0.00 0.00 0.00 0.00 53.44 52.33 2k4x n ALA 10 Cb 0.43 -0.33 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 2k4x n ALA 10 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k4x h ASP 11 N 0.07 0.00 -0.49 0.00 3.58 -2.01 -3.40 116.42 114.17 2k4x h ASP 11 Ca -0.05 -0.70 -0.40 0.00 0.42 0.00 0.00 57.03 56.30 2k4x h ASP 11 Cb 1.29 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.30 2k4x h ASP 11 CO -0.01 0.91 1.33 0.61 -2.88 0.00 0.00 179.24 179.20 2k4x n GLY 12 N 1.64 1.36 3.91 -0.78 0.00 -1.26 -4.93 105.19 105.13 2k4x n GLY 12 Ca -0.09 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2k4x n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4x s LYS 13 N 6.02 3.56 -0.91 1.61 1.02 -1.26 -5.03 119.74 124.75 2k4x s LYS 13 Ca 0.65 -0.22 -0.23 0.00 0.02 0.00 0.00 55.97 56.19 2k4x s LYS 13 Cb 0.01 -2.88 0.06 0.00 -0.52 0.00 0.00 37.83 34.51 2k4x s LYS 13 CO 0.13 0.47 1.30 -0.51 -0.92 0.00 0.00 175.35 175.82 2k4x s LEU 14 N -2.82 3.81 -0.10 3.17 1.02 -1.26 -4.98 118.68 117.52 2k4x s LEU 14 Ca 0.39 -1.30 0.03 0.00 0.02 0.00 0.00 54.13 53.27 2k4x s LEU 14 Cb -0.12 -2.52 -0.01 0.00 0.02 0.00 0.00 46.19 43.56 2k4x s LEU 14 CO 0.26 -1.49 -0.19 0.54 0.02 0.00 0.00 176.35 175.49 2k4x s VAL 15 N 4.62 2.49 0.00 -1.59 0.11 -1.26 -4.71 120.40 120.06 2k4x s VAL 15 Ca 0.39 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2k4x s VAL 15 Cb -0.04 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 2k4x s VAL 15 CO -0.03 0.55 0.00 -1.14 -3.33 0.00 0.00 175.10 171.15 2k4x n ARG 16 N 3.37 0.00 -1.96 1.54 0.00 -1.26 -4.91 116.66 113.44 2k4x n ARG 16 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.35 2k4x n ARG 16 Cb 0.53 -1.80 -0.04 0.00 0.00 0.00 0.00 32.46 31.15 2k4x n ARG 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2k4x s LYS 17 N 0.00 2.47 -0.30 -0.14 1.02 -1.26 -4.82 119.74 116.70 2k4x s LYS 17 Ca 0.00 0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.33 2k4x s LYS 17 Cb 0.00 -4.72 0.20 0.00 -0.52 0.00 0.00 37.83 32.79 2k4x s LYS 17 CO 0.00 -3.19 0.62 -3.38 -0.92 0.00 0.00 175.35 168.48 2k4x s HIS 18 N 10.24 -1.77 -0.21 3.18 -3.43 -1.26 -5.12 115.29 116.93 2k4x s HIS 18 Ca 0.73 0.97 -0.03 0.00 -0.80 0.00 0.00 55.06 55.94 2k4x s HIS 18 Cb -0.10 0.30 0.06 0.00 -1.43 0.00 0.00 32.58 31.41 2k4x s HIS 18 CO 0.11 -1.04 0.04 1.03 -2.00 0.00 0.00 174.74 172.88 2k4x s ARG 19 N 2.76 0.62 0.90 -0.38 0.52 -1.26 -5.14 118.95 116.97 2k4x s ARG 19 Ca 0.12 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.74 2k4x s ARG 19 Cb -0.09 -2.07 0.13 0.00 0.52 0.00 0.00 34.95 33.44 2k4x s ARG 19 CO -0.24 -0.68 1.11 -0.06 0.02 0.00 0.00 175.30 175.44 2k4x s PHE 20 N 1.86 2.47 0.10 -0.53 0.08 -1.26 -4.46 117.98 116.24 2k4x s PHE 20 Ca 0.00 1.04 -0.31 0.00 0.12 0.00 0.00 56.93 57.78 2k4x s PHE 20 Cb -0.17 -3.25 -0.08 0.00 -0.57 0.00 0.00 43.02 38.95 2k4x s PHE 20 CO -0.10 -2.33 1.48 0.00 -0.10 0.00 0.00 175.22 174.16 2k4x n PRO 22 N 4.47 -0.08 -0.11 0.00 -0.02 -1.26 0.10 135.00 138.10 2k4x n PRO 22 Ca 0.13 1.45 -0.20 0.00 -2.02 0.00 0.00 63.50 62.85 2k4x n PRO 22 Cb 0.41 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 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 -5.50 0.55 0.00 -0.52 1.74 -1.26 -4.25 116.66 107.41 2k4x n ARG 23 Ca 0.16 0.48 0.12 0.00 -0.77 0.00 0.00 57.85 57.84 2k4x n ARG 23 Cb 0.49 -1.67 0.73 0.00 -1.02 0.00 0.00 32.46 30.99 2k4x n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k4x n GLY 25 N 0.60 -2.63 3.57 0.00 0.00 0.28 -0.85 105.19 106.16 2k4x n GLY 25 Ca 0.18 0.83 -0.20 0.00 0.00 0.00 0.00 46.02 46.84 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 -4.30 1.84 0.00 1.61 0.02 -1.26 -2.63 135.00 130.28 2k4x s PRO 26 Ca -0.06 -0.29 0.00 0.00 0.02 0.00 0.00 61.00 60.68 2k4x s PRO 26 Cb 0.05 -4.99 0.00 0.00 0.02 0.00 0.00 34.50 29.58 2k4x s PRO 26 CO 0.30 -4.47 0.00 0.41 -0.33 0.00 0.00 177.00 172.92 2k4x n GLY 27 N 6.42 1.29 2.92 0.52 0.00 -1.22 -5.07 105.19 110.05 2k4x n GLY 27 Ca 0.43 0.00 -0.30 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 -1.16 1.37 1.17 1.61 1.01 -0.03 -5.13 120.40 119.24 2k4x s VAL 28 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2k4x s VAL 28 Cb 0.00 -1.60 0.27 0.00 0.00 0.00 0.00 36.38 35.05 2k4x s VAL 28 CO 0.00 -0.00 1.06 0.72 0.00 0.00 0.00 175.10 176.88 2k4x s PHE 29 N 1.49 1.00 -0.30 5.22 -0.71 -1.26 -3.83 117.98 119.59 2k4x s PHE 29 Ca -0.03 0.77 -0.03 0.00 -1.04 0.00 0.00 56.93 56.60 2k4x s PHE 29 Cb -0.17 -3.26 0.04 0.00 -1.21 0.00 0.00 43.02 38.42 2k4x s PHE 29 CO -0.07 -3.74 0.01 -1.17 -1.34 0.00 0.00 175.22 168.91 2k4x s LEU 30 N -6.97 3.81 -0.66 -1.99 2.96 -1.26 -4.49 118.68 110.07 2k4x s LEU 30 Ca 0.68 -1.11 -0.26 0.00 -0.22 0.00 0.00 54.13 53.23 2k4x s LEU 30 Cb -0.16 -1.75 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 2k4x s LEU 30 CO 0.58 -0.24 2.21 0.00 -1.32 0.00 0.00 176.35 177.59 2k4x s ALA 31 N 1.32 1.51 -0.30 5.97 0.00 0.69 -4.80 121.76 126.15 2k4x s ALA 31 Ca -0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 2k4x s ALA 31 Cb -0.19 -4.43 0.01 0.00 0.00 0.00 0.00 23.12 18.51 2k4x s ALA 31 CO -0.01 -4.78 1.05 -2.00 0.00 0.00 0.00 175.76 170.02 2k4x s GLU 32 N 7.96 4.11 0.23 0.00 2.12 -1.26 -0.86 118.70 131.00 2k4x s GLU 32 Ca 0.85 1.11 0.12 0.00 0.36 0.00 0.00 54.97 57.41 2k4x s GLU 32 Cb -0.13 -3.71 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 2k4x s GLU 32 CO 0.16 -0.83 -0.22 -1.01 -0.54 0.00 0.00 175.26 172.82 2k4x s HIS 33 N 3.51 2.29 0.60 5.30 3.76 0.72 -4.98 115.29 126.48 2k4x s HIS 33 Ca 0.44 -0.35 0.30 0.00 -0.15 0.00 0.00 55.06 55.31 2k4x s HIS 33 Cb -0.13 -1.07 1.82 0.00 1.11 0.00 0.00 32.58 34.31 2k4x s HIS 33 CO 0.13 0.60 2.23 0.00 -0.85 0.00 0.00 174.74 176.85 2k4x h ALA 34 N 2.78 1.55 0.03 -1.40 0.00 -2.03 -0.85 119.26 119.34 2k4x h ALA 34 Ca -0.43 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 2k4x h ALA 34 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2k4x h ALA 34 CO 0.53 -0.06 -0.54 -0.44 0.00 0.00 0.00 179.25 178.74 2k4x h ASP 35 N 0.00 0.43 0.00 0.00 5.19 -1.98 -3.45 116.42 116.62 2k4x h ASP 35 Ca 0.02 -0.81 0.00 0.00 -0.62 0.00 0.00 57.03 55.62 2k4x h ASP 35 Cb 0.10 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2k4x h ASP 35 CO -0.00 1.19 0.00 -2.11 -3.12 0.00 0.00 179.24 175.20 2k4x n ARG 36 N -4.28 -0.90 -3.79 3.56 1.85 -0.32 -2.55 116.66 110.23 2k4x n ARG 36 Ca -0.11 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.37 2k4x n ARG 36 Cb 0.66 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.01 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 -2.00 3.62 0.09 2.89 1.51 0.14 -0.20 117.35 123.41 2k4x s TYR 37 Ca 0.00 0.63 0.02 0.00 -1.01 0.00 0.00 57.07 56.71 2k4x s TYR 37 Cb 0.00 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 2k4x s TYR 37 CO 0.00 0.70 -0.06 0.45 -1.11 0.00 0.00 175.55 175.53 2k4x s SER 38 N -1.13 1.11 -0.08 2.29 0.15 -0.03 -1.08 113.70 114.92 2k4x s SER 38 Ca 0.18 -0.99 -0.03 0.00 0.70 0.00 0.00 55.95 55.81 2k4x s SER 38 Cb -0.13 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.32 2k4x s SER 38 CO 0.08 -0.46 0.16 0.00 1.20 0.00 0.00 173.24 174.21 2k4x s GLY 40 N 2.18 1.50 0.00 0.00 0.00 -1.26 -0.34 107.32 109.41 2k4x s GLY 40 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2k4x s GLY 40 CO -0.06 0.01 0.00 0.54 0.00 0.00 0.00 173.10 173.59 2k4x n ARG 41 N -5.25 0.00 0.00 2.90 3.00 -1.26 -3.80 116.66 112.25 2k4x n ARG 41 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 2k4x n ARG 41 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 33.01 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 0.31 1.11 3.65 0.00 0.00 0.54 -4.94 105.19 105.87 2k4x n GLY 43 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.36 1.95 -0.10 1.61 5.04 -1.17 -4.74 117.35 117.58 2k4x s TYR 44 Ca 0.00 0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 2k4x s TYR 44 Cb 0.00 -3.94 0.03 0.00 0.35 0.00 0.00 41.96 38.40 2k4x s TYR 44 CO 0.00 -3.76 -0.02 0.99 -1.34 0.00 0.00 175.55 171.43 2k4x s THR 45 N 4.39 0.60 -0.01 4.34 2.01 -1.26 -0.18 115.64 125.53 2k4x s THR 45 Ca 0.74 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.73 2k4x s THR 45 Cb -0.32 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 2k4x s THR 45 CO 0.30 0.24 -0.25 -0.70 -0.69 0.00 0.00 174.62 173.51 2k4x s GLU 46 N 1.87 2.09 0.45 4.92 2.56 -0.24 -4.98 118.70 125.37 2k4x s GLU 46 Ca 0.04 -0.94 -0.16 0.00 0.00 0.00 0.00 54.97 53.91 2k4x s GLU 46 Cb -0.13 -2.05 -0.09 0.00 2.00 0.00 0.00 34.13 33.86 2k4x s GLU 46 CO -0.06 0.56 0.91 -0.06 -0.56 0.00 0.00 175.26 176.04 2k4x s PHE 47 N -0.65 3.41 -0.91 5.30 0.08 -1.26 0.27 117.98 124.22 2k4x s PHE 47 Ca 0.10 1.40 -0.25 0.00 0.12 0.00 0.00 56.93 58.30 2k4x s PHE 47 Cb -0.10 -2.71 -0.10 0.00 -0.57 0.00 0.00 43.02 39.54 2k4x s PHE 47 CO -0.00 -0.19 2.12 0.15 -0.10 0.00 0.00 175.22 177.20 2k4x s LYS 48 N -3.65 2.09 0.07 0.44 -0.14 -1.06 -4.77 119.74 112.72 2k4x s LYS 48 Ca 0.58 -0.12 0.09 0.00 -1.36 0.00 0.00 55.97 55.16 2k4x s LYS 48 Cb -0.10 -4.98 -0.03 0.00 -1.68 0.00 0.00 37.83 31.04 2k4x s LYS 48 CO 0.25 -4.02 -0.26 -1.59 -0.76 0.00 0.00 175.35 168.97 2k4x s LYS 49 N 7.74 1.60 0.00 1.68 -2.85 -1.26 -4.99 119.74 121.66 2k4x s LYS 49 Ca 0.79 -1.16 0.17 0.00 -1.00 0.00 0.00 55.97 54.77 2k4x s LYS 49 Cb -0.08 -1.86 0.43 0.00 -2.06 0.00 0.00 37.83 34.25 2k4x s LYS 49 CO 0.05 0.47 1.34 0.00 0.10 0.00 0.00 175.35 177.32 2k4x n ALA 50 N 1.51 2.32 -1.33 0.59 0.00 -1.26 -4.93 120.51 117.41 2k4x n ALA 50 Ca -0.17 -1.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.03 2k4x n ALA 50 Cb 0.52 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 2k4x n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k4x n LYS 51 N 1.11 -1.11 -2.43 0.00 3.00 -1.26 -4.96 118.16 112.50 2k4x n LYS 51 Ca 0.17 0.87 -0.37 0.00 -0.00 0.00 0.00 58.31 58.98 2k4x n LYS 51 Cb 0.52 -4.98 -0.03 0.00 0.00 0.00 0.00 35.03 30.53 2k4x n LYS 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2k4x s LYS 52 N -2.84 4.15 -0.08 1.64 -2.85 -1.26 -5.05 119.74 113.44 2k4x s LYS 52 Ca 0.00 1.67 0.03 0.00 -1.00 0.00 0.00 55.97 56.67 2k4x s LYS 52 Cb 0.00 -2.64 0.01 0.00 -2.06 0.00 0.00 37.83 33.13 2k4x s LYS 52 CO 0.00 -0.19 -0.17 -1.12 0.10 0.00 0.00 175.35 173.97 2k4x s SER 53 N -1.34 2.30 -0.30 0.03 0.01 -1.26 -5.11 113.70 108.03 2k4x s SER 53 Ca 0.57 -0.40 -0.21 0.00 1.31 0.00 0.00 55.95 57.21 2k4x s SER 53 Cb -0.26 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 2k4x s SER 53 CO 0.33 0.08 0.66 -0.54 0.41 0.00 0.00 173.24 174.19 2k4x s LYS 54 N 0.53 3.93 0.00 12.44 1.02 -1.26 -5.28 119.74 131.11 2k4x s LYS 54 Ca -0.16 0.38 0.28 0.00 0.02 0.00 0.00 55.97 56.48 2k4x s LYS 54 Cb -0.17 -3.72 1.09 0.00 -0.52 0.00 0.00 37.83 34.51 2k4x s LYS 54 CO 0.06 -0.58 1.77 -1.13 -0.92 0.00 0.00 175.35 174.54