#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 2.10 0.23 3.17 0.74 -1.26 -5.09 119.66 119.55 2k4x s GLN 2 Ca 0.00 -1.76 -0.29 0.00 0.05 0.00 0.00 55.36 53.36 2k4x s GLN 2 Cb 0.00 -3.59 -0.09 0.00 1.10 0.00 0.00 33.01 30.43 2k4x s GLN 2 CO 0.00 -1.04 0.91 0.21 -0.55 0.00 0.00 175.29 174.82 2k4x s LYS 3 N 1.18 4.80 0.31 1.67 2.47 -1.26 -5.07 119.74 123.83 2k4x s LYS 3 Ca 0.07 1.42 0.04 0.00 -1.56 0.00 0.00 55.97 55.94 2k4x s LYS 3 Cb -0.23 -3.26 -0.06 0.00 -1.46 0.00 0.00 37.83 32.82 2k4x s LYS 3 CO -0.03 0.52 0.03 1.03 0.16 0.00 0.00 175.35 177.06 2k4x s ARG 4 N -1.20 1.60 0.34 4.03 0.52 -1.26 -5.04 118.95 117.95 2k4x s ARG 4 Ca 0.40 -1.86 0.13 0.00 -0.52 0.00 0.00 55.73 53.88 2k4x s ARG 4 Cb -0.25 -0.92 0.62 0.00 0.52 0.00 0.00 34.95 34.92 2k4x s ARG 4 CO 0.31 -0.13 1.75 1.05 0.02 0.00 0.00 175.30 178.30 2k4x h GLU 5 N 2.18 0.00 0.00 3.54 -0.00 -2.08 -3.47 114.58 114.76 2k4x h GLU 5 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 2k4x h GLU 5 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 2k4x h GLU 5 CO 0.69 0.44 0.00 -0.11 -0.00 0.00 0.00 179.01 180.03 2k4x n LEU 6 N -3.91 0.00 -3.84 3.06 0.00 -1.26 -4.70 117.00 106.35 2k4x n LEU 6 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.92 2k4x n LEU 6 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.90 2k4x n LEU 6 CO 0.39 0.00 0.50 -0.31 0.00 0.00 0.00 177.39 177.97 2k4x s TYR 7 N 0.00 -0.09 0.84 1.96 2.02 -1.26 -5.17 117.35 115.65 2k4x s TYR 7 Ca 0.00 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.14 2k4x s TYR 7 Cb 0.00 0.75 0.10 0.00 -0.40 0.00 0.00 41.96 42.41 2k4x s TYR 7 CO 0.00 -1.34 1.11 -2.00 -1.57 0.00 0.00 175.55 171.75 2k4x s GLU 8 N -3.38 1.71 0.51 -0.62 -6.30 -1.26 -5.01 118.70 104.36 2k4x s GLU 8 Ca 0.13 0.55 0.08 0.00 -2.50 0.00 0.00 54.97 53.23 2k4x s GLU 8 Cb -0.06 -1.88 0.05 0.00 0.00 0.00 0.00 34.13 32.24 2k4x s GLU 8 CO 0.08 -1.86 0.70 0.96 0.02 0.00 0.00 175.26 175.17 2k4x s ILE 9 N -3.17 2.54 -1.25 -3.70 -4.36 -1.26 -3.95 121.20 106.05 2k4x s ILE 9 Ca 0.62 -0.97 -0.15 0.00 -0.26 0.00 0.00 60.65 59.89 2k4x s ILE 9 Cb -0.15 -2.57 0.13 0.00 1.25 0.00 0.00 42.46 41.12 2k4x s ILE 9 CO 0.54 0.00 1.58 0.00 0.24 0.00 0.00 174.94 177.30 2k4x n ALA 10 N -2.10 3.87 -0.10 2.27 0.00 -1.17 -3.91 120.51 119.36 2k4x n ALA 10 Ca 0.12 -4.10 -0.20 0.00 0.00 0.00 0.00 53.44 49.26 2k4x n ALA 10 Cb 0.60 -3.25 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 2k4x n ALA 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k4x n ASP 11 N 6.53 1.77 -2.59 0.00 -0.08 -1.26 -2.65 116.55 118.26 2k4x n ASP 11 Ca 0.42 0.30 -0.24 0.00 -1.51 0.00 0.00 54.79 53.76 2k4x n ASP 11 Cb 0.43 -0.71 -0.10 0.00 2.34 0.00 0.00 41.12 43.08 2k4x n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k4x n GLY 12 N 1.55 3.63 0.23 0.27 0.00 -1.26 -4.59 105.19 105.01 2k4x n GLY 12 Ca -0.35 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2k4x n GLY 12 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4x h LYS 13 N 3.84 0.28 -4.35 1.61 3.64 -1.94 -3.35 116.57 116.30 2k4x h LYS 13 Ca 0.49 -0.09 -0.75 0.00 -1.27 0.00 0.00 60.65 59.04 2k4x h LYS 13 Cb 0.95 -0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 32.52 2k4x h LYS 13 CO 0.92 0.50 0.38 -1.17 -2.27 0.00 0.00 179.45 177.80 2k4x s LEU 14 N -8.60 6.01 0.14 5.20 2.96 -1.26 -4.99 118.68 118.13 2k4x s LEU 14 Ca -0.05 -2.35 0.02 0.00 -0.22 0.00 0.00 54.13 51.52 2k4x s LEU 14 Cb 0.15 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2k4x s LEU 14 CO 0.75 -0.80 -0.03 0.68 -1.32 0.00 0.00 176.35 175.63 2k4x s VAL 15 N 1.31 0.69 0.08 1.68 -7.23 -1.26 -5.15 120.40 110.52 2k4x s VAL 15 Ca 0.23 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.24 2k4x s VAL 15 Cb -0.09 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.88 2k4x s VAL 15 CO -0.08 -0.67 0.57 -0.60 -0.31 0.00 0.00 175.10 174.01 2k4x s ARG 16 N -3.87 4.21 -0.09 4.82 6.06 -1.26 -5.02 118.95 123.80 2k4x s ARG 16 Ca 0.18 0.75 -0.29 0.00 -2.50 0.00 0.00 55.73 53.87 2k4x s ARG 16 Cb 0.06 -3.24 -0.05 0.00 0.06 0.00 0.00 34.95 31.78 2k4x s ARG 16 CO -0.00 0.64 1.68 0.21 -2.50 0.00 0.00 175.30 175.33 2k4x s LYS 17 N -1.12 4.06 -0.10 5.12 2.36 -1.26 -3.86 119.74 124.94 2k4x s LYS 17 Ca 0.29 2.09 -0.01 0.00 -2.55 0.00 0.00 55.97 55.79 2k4x s LYS 17 Cb -0.20 -4.02 0.00 0.00 -1.05 0.00 0.00 37.83 32.57 2k4x s LYS 17 CO 0.19 -0.99 0.02 -2.39 1.55 0.00 0.00 175.35 173.73 2k4x n HIS 18 N 7.60 -1.50 -2.08 4.03 1.44 -1.26 -4.98 115.22 118.47 2k4x n HIS 18 Ca 0.18 0.72 -0.28 0.00 -2.01 0.00 0.00 57.72 56.33 2k4x n HIS 18 Cb 0.43 -2.09 0.06 0.00 0.12 0.00 0.00 29.99 28.51 2k4x n HIS 18 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k4x s ARG 19 N -0.99 2.49 -0.07 -1.40 0.52 -1.25 -4.89 118.95 113.36 2k4x s ARG 19 Ca -0.03 0.10 -0.04 0.00 -0.52 0.00 0.00 55.73 55.25 2k4x s ARG 19 Cb 0.00 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 2k4x s ARG 19 CO 0.29 -1.15 0.12 -0.06 0.02 0.00 0.00 175.30 174.52 2k4x s PHE 20 N -3.31 3.47 0.02 -0.53 0.40 -1.26 -0.25 117.98 116.53 2k4x s PHE 20 Ca 0.59 0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 57.01 2k4x s PHE 20 Cb -0.11 -1.86 -0.08 0.00 0.51 0.00 0.00 43.02 41.48 2k4x s PHE 20 CO 0.48 0.65 1.76 0.00 0.70 0.00 0.00 175.22 178.81 2k4x h PRO 22 N 9.43 0.14 0.00 0.00 0.11 -1.96 0.94 132.00 140.65 2k4x h PRO 22 Ca -0.44 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 2k4x h PRO 22 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2k4x h PRO 22 CO 0.94 0.09 -1.18 0.54 -0.21 0.00 0.00 178.00 178.18 2k4x n ARG 23 N -5.11 0.52 0.00 1.05 5.12 -1.26 -4.37 116.66 112.61 2k4x n ARG 23 Ca 0.35 0.43 0.13 0.00 -1.93 0.00 0.00 57.85 56.83 2k4x n ARG 23 Cb 1.18 -1.62 0.72 0.00 -1.16 0.00 0.00 32.46 31.59 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 0.62 -1.84 3.44 0.00 0.00 0.32 -2.15 105.19 105.59 2k4x n GLY 25 Ca 0.17 0.71 -0.12 0.00 0.00 0.00 0.00 46.02 46.79 2k4x n GLY 25 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k4x n PRO 26 N -4.35 0.18 0.00 1.61 -0.02 -1.26 -1.36 135.00 129.80 2k4x n PRO 26 Ca 0.01 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.60 2k4x n PRO 26 Cb 0.14 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 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 5.89 2.54 3.03 -1.23 0.00 -1.26 -5.01 105.19 109.15 2k4x n GLY 27 Ca 0.38 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.45 2.50 0.01 1.61 1.01 -0.46 -5.10 120.40 117.52 2k4x s VAL 28 Ca 0.00 -2.44 -0.00 0.00 0.00 0.00 0.00 61.98 59.54 2k4x s VAL 28 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2k4x s VAL 28 CO 0.00 -0.65 0.01 2.22 0.00 0.00 0.00 175.10 176.68 2k4x n PHE 29 N 4.14 -3.57 -3.79 5.22 -1.74 -1.26 -3.26 117.46 113.20 2k4x n PHE 29 Ca 0.03 -0.01 -0.36 0.00 -0.56 0.00 0.00 57.45 56.56 2k4x n PHE 29 Cb 0.41 -0.01 -0.12 0.00 1.52 0.00 0.00 39.48 41.28 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 5.11 -0.37 5.98 2.96 0.65 -3.96 118.68 129.05 2k4x s LEU 30 Ca 0.00 -1.95 -0.31 0.00 -0.22 0.00 0.00 54.13 51.66 2k4x s LEU 30 Cb -0.00 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.78 2k4x s LEU 30 CO 0.00 -0.51 2.28 0.00 -1.32 0.00 0.00 176.35 176.80 2k4x n ALA 31 N 4.60 1.22 -2.58 5.97 0.00 0.17 -4.27 120.51 125.62 2k4x n ALA 31 Ca -0.03 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 2k4x n ALA 31 Cb 0.42 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 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 6.84 3.80 0.16 0.00 2.12 -1.26 -0.62 118.70 129.73 2k4x s GLU 32 Ca 1.06 0.74 0.07 0.00 0.36 0.00 0.00 54.97 57.21 2k4x s GLU 32 Cb -0.58 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 29.89 2k4x s GLU 32 CO 0.40 -1.28 -0.04 -1.01 -0.54 0.00 0.00 175.26 172.79 2k4x s HIS 33 N 4.36 2.79 0.64 5.30 3.76 0.93 -4.98 115.29 128.10 2k4x s HIS 33 Ca 0.49 -0.15 0.35 0.00 -0.15 0.00 0.00 55.06 55.61 2k4x s HIS 33 Cb -0.09 -1.38 1.97 0.00 1.11 0.00 0.00 32.58 34.19 2k4x s HIS 33 CO 0.28 0.50 2.18 0.00 -0.85 0.00 0.00 174.74 176.85 2k4x h ALA 34 N 2.97 1.36 0.08 -1.40 0.00 -2.03 -1.00 119.26 119.25 2k4x h ALA 34 Ca -0.47 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 2k4x h ALA 34 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k4x h ALA 34 CO 0.56 -0.16 -1.96 -0.25 0.00 0.00 0.00 179.25 177.44 2k4x n ASP 35 N -3.31 1.73 -3.65 0.00 9.92 -1.26 -4.85 116.55 115.12 2k4x n ASP 35 Ca -0.01 0.24 0.02 0.00 -0.53 0.00 0.00 54.79 54.51 2k4x n ASP 35 Cb 0.22 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 2k4x n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k4x s ARG 36 N -2.57 0.29 -0.18 -1.24 1.70 -0.38 -2.43 118.95 114.14 2k4x s ARG 36 Ca -0.18 -0.17 -0.13 0.00 -0.47 0.00 0.00 55.73 54.79 2k4x s ARG 36 Cb 0.07 0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 2k4x s ARG 36 CO 0.78 -0.13 0.24 0.71 -1.08 0.00 0.00 175.30 175.82 2k4x s TYR 37 N -2.24 3.42 0.16 5.89 1.51 0.17 -0.05 117.35 126.22 2k4x s TYR 37 Ca 0.18 0.48 0.07 0.00 -1.01 0.00 0.00 57.07 56.79 2k4x s TYR 37 Cb 0.05 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 2k4x s TYR 37 CO -0.04 0.21 -0.15 -1.54 -1.11 0.00 0.00 175.55 172.92 2k4x s SER 38 N 0.56 2.32 -0.04 2.29 1.04 0.21 -0.15 113.70 119.93 2k4x s SER 38 Ca 0.13 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.67 2k4x s SER 38 Cb -0.13 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 65.90 2k4x s SER 38 CO 0.03 -0.15 -0.10 0.00 0.98 0.00 0.00 173.24 174.00 2k4x s GLY 40 N 0.51 1.65 0.00 0.00 0.00 -1.26 -1.34 107.32 106.88 2k4x s GLY 40 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2k4x s GLY 40 CO 0.02 -0.19 0.00 0.54 0.00 0.00 0.00 173.10 173.47 2k4x n ARG 41 N -4.44 0.00 0.00 2.90 5.12 -1.26 -3.59 116.66 115.39 2k4x n ARG 41 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 2k4x n ARG 41 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 2k4x n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k4x n GLY 43 N 0.40 0.55 3.71 0.00 0.00 -0.45 -4.93 105.19 104.46 2k4x n GLY 43 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.77 2.65 -0.05 1.61 5.04 -1.22 -4.58 117.35 119.02 2k4x s TYR 44 Ca 0.00 0.28 0.01 0.00 -2.44 0.00 0.00 57.07 54.91 2k4x s TYR 44 Cb 0.00 -4.09 0.02 0.00 0.35 0.00 0.00 41.96 38.24 2k4x s TYR 44 CO 0.00 -4.27 -0.04 0.99 -1.34 0.00 0.00 175.55 170.89 2k4x s THR 45 N 1.81 0.52 0.23 4.34 2.01 -1.26 -0.05 115.64 123.24 2k4x s THR 45 Ca 0.76 -0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.77 2k4x s THR 45 Cb -0.46 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2k4x s THR 45 CO 0.33 0.24 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.79 2k4x s GLU 46 N 1.15 2.32 0.09 4.92 2.56 0.79 -4.98 118.70 125.55 2k4x s GLU 46 Ca -0.07 -1.30 0.03 0.00 0.00 0.00 0.00 54.97 53.63 2k4x s GLU 46 Cb -0.14 -2.23 -0.04 0.00 2.00 0.00 0.00 34.13 33.72 2k4x s GLU 46 CO -0.01 0.40 0.11 -0.06 -0.56 0.00 0.00 175.26 175.14 2k4x s PHE 47 N -2.07 3.23 -1.11 5.30 0.08 -1.26 0.46 117.98 122.61 2k4x s PHE 47 Ca 0.29 0.08 -0.22 0.00 0.12 0.00 0.00 56.93 57.20 2k4x s PHE 47 Cb -0.08 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 2k4x s PHE 47 CO 0.19 0.53 1.87 0.15 -0.10 0.00 0.00 175.22 177.86 2k4x s LYS 48 N -2.55 2.83 -0.15 0.44 -0.14 -1.02 -4.73 119.74 114.41 2k4x s LYS 48 Ca 0.30 -1.06 -0.29 0.00 -1.36 0.00 0.00 55.97 53.57 2k4x s LYS 48 Cb -0.12 -5.25 -0.04 0.00 -1.68 0.00 0.00 37.83 30.74 2k4x s LYS 48 CO 0.23 -3.41 1.78 0.15 -0.76 0.00 0.00 175.35 173.35 2k4x s LYS 49 N 6.14 3.80 -0.02 1.68 1.02 -1.26 -4.81 119.74 126.29 2k4x s LYS 49 Ca 0.65 1.96 -0.39 0.00 0.02 0.00 0.00 55.97 58.21 2k4x s LYS 49 Cb -0.02 -4.11 -0.18 0.00 -0.52 0.00 0.00 37.83 33.01 2k4x s LYS 49 CO 0.07 -1.31 1.31 0.00 -0.92 0.00 0.00 175.35 174.50 2k4x n ALA 50 N 8.65 -1.79 -0.07 5.17 0.00 -1.25 -4.88 120.51 126.33 2k4x n ALA 50 Ca 0.21 0.53 -0.13 0.00 0.00 0.00 0.00 53.44 54.05 2k4x n ALA 50 Cb 0.44 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 2k4x n ALA 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k4x h LYS 51 N 4.36 0.47 0.00 0.00 1.79 -1.89 -3.09 116.57 118.20 2k4x h LYS 51 Ca -0.48 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 2k4x h LYS 51 Cb 1.37 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 2k4x h LYS 51 CO 0.77 0.78 0.00 1.63 -1.08 0.00 0.00 179.45 181.55 2k4x n LYS 52 N -4.49 0.00 0.00 3.15 5.02 -1.26 -4.38 118.16 116.19 2k4x n LYS 52 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2k4x n LYS 52 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 2k4x n LYS 52 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2k4x n SER 53 N 3.10 0.00 -3.29 4.39 3.41 -1.26 -5.10 113.62 114.87 2k4x n SER 53 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2k4x n SER 53 Cb 0.00 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 2k4x n SER 53 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2k4x s LYS 54 N -1.71 0.41 0.00 4.33 0.00 -1.26 -5.08 119.74 116.44 2k4x s LYS 54 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 55.97 56.61 2k4x s LYS 54 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 37.83 37.63 2k4x s LYS 54 CO 0.00 -0.66 0.00 0.43 0.00 0.00 0.00 175.35 175.12