#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4x n GLN 2 N 0.00 2.88 -3.72 2.12 7.27 -1.26 -4.79 117.38 119.88 2k4x n GLN 2 Ca 0.00 -1.76 -0.12 0.00 0.07 0.00 0.00 57.00 55.19 2k4x n GLN 2 Cb 0.00 -2.56 -0.07 0.00 2.41 0.00 0.00 30.24 30.02 2k4x n GLN 2 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2k4x s LYS 3 N 2.49 0.87 -1.01 3.69 1.02 -1.26 -5.07 119.74 120.48 2k4x s LYS 3 Ca 0.57 -0.50 -0.26 0.00 0.02 0.00 0.00 55.97 55.81 2k4x s LYS 3 Cb 0.16 0.38 -0.17 0.00 -0.52 0.00 0.00 37.83 37.69 2k4x s LYS 3 CO -0.04 -0.29 2.15 -0.98 -0.92 0.00 0.00 175.35 175.27 2k4x s ARG 4 N -2.70 1.61 -0.13 1.68 1.70 -1.26 -4.68 118.95 115.17 2k4x s ARG 4 Ca -0.04 -0.29 -0.08 0.00 -0.47 0.00 0.00 55.73 54.85 2k4x s ARG 4 Cb -0.00 -4.98 -0.06 0.00 -0.57 0.00 0.00 34.95 29.34 2k4x s ARG 4 CO -0.04 -4.81 0.06 0.93 -1.08 0.00 0.00 175.30 170.36 2k4x h GLU 5 N 11.58 0.00 -2.52 3.89 5.08 -1.98 -3.50 114.58 127.13 2k4x h GLU 5 Ca 0.05 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2k4x h GLU 5 Cb 0.99 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.11 2k4x h GLU 5 CO 1.06 0.20 0.40 -0.48 -1.00 0.00 0.00 179.01 179.19 2k4x s LEU 6 N -8.36 -0.40 -0.34 1.33 0.05 -1.26 -5.13 118.68 104.57 2k4x s LEU 6 Ca -0.09 -0.07 0.04 0.00 0.05 0.00 0.00 54.13 54.06 2k4x s LEU 6 Cb 0.01 2.23 0.10 0.00 -2.05 0.00 0.00 46.19 46.48 2k4x s LEU 6 CO 0.20 -0.78 0.05 -0.31 -0.55 0.00 0.00 176.35 174.96 2k4x s TYR 7 N -3.35 3.63 -0.18 3.48 1.51 -1.26 -5.10 117.35 116.09 2k4x s TYR 7 Ca 0.05 -2.93 -0.05 0.00 -1.01 0.00 0.00 57.07 53.14 2k4x s TYR 7 Cb -0.01 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.96 2k4x s TYR 7 CO -0.08 -0.95 -0.01 -1.83 -1.11 0.00 0.00 175.55 171.57 2k4x s GLU 8 N 0.95 3.69 -0.06 -0.62 -1.05 -1.26 -5.09 118.70 115.26 2k4x s GLU 8 Ca 0.11 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 2k4x s GLU 8 Cb -0.19 -3.02 0.02 0.00 -0.44 0.00 0.00 34.13 30.50 2k4x s GLU 8 CO -0.09 0.15 -0.04 0.96 0.95 0.00 0.00 175.26 177.20 2k4x s ILE 9 N 0.62 0.55 -0.42 1.83 -4.36 -1.26 -5.12 121.20 113.03 2k4x s ILE 9 Ca -0.01 -0.08 -0.24 0.00 -0.26 0.00 0.00 60.65 60.06 2k4x s ILE 9 Cb -0.14 -0.60 0.02 0.00 1.25 0.00 0.00 42.46 42.99 2k4x s ILE 9 CO 0.02 0.25 0.85 0.00 0.24 0.00 0.00 174.94 176.30 2k4x s ALA 10 N 1.24 3.32 0.67 2.27 0.00 -1.26 -5.04 121.76 122.95 2k4x s ALA 10 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2k4x s ALA 10 Cb -0.14 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.59 2k4x s ALA 10 CO -0.02 -1.83 0.88 -0.25 0.00 0.00 0.00 175.76 174.54 2k4x n ASP 11 N 6.81 1.41 0.00 0.00 8.00 -1.26 -4.57 116.55 126.93 2k4x n ASP 11 Ca 0.04 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.41 2k4x n ASP 11 Cb 0.48 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2k4x n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4x n GLY 12 N -1.92 2.71 1.91 0.44 0.00 -1.26 -4.80 105.19 102.28 2k4x n GLY 12 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 2k4x n GLY 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4x n LYS 13 N 0.00 -3.24 -2.64 1.61 4.81 -1.26 -4.85 118.16 112.59 2k4x n LYS 13 Ca 0.00 2.55 -0.42 0.00 -0.87 0.00 0.00 58.31 59.57 2k4x n LYS 13 Cb 0.00 -3.25 -0.03 0.00 0.02 0.00 0.00 35.03 31.77 2k4x n LYS 13 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2k4x s LEU 14 N -0.39 3.82 -0.36 3.14 0.05 -1.26 -4.97 118.68 118.71 2k4x s LEU 14 Ca -0.03 -1.50 -0.26 0.00 0.05 0.00 0.00 54.13 52.39 2k4x s LEU 14 Cb 0.00 -2.53 0.01 0.00 -2.05 0.00 0.00 46.19 41.62 2k4x s LEU 14 CO 0.09 -1.44 0.91 0.68 -0.55 0.00 0.00 176.35 176.04 2k4x s VAL 15 N 4.53 4.62 0.28 1.48 -7.23 -1.26 -5.03 120.40 117.79 2k4x s VAL 15 Ca 0.42 1.21 0.07 0.00 -1.81 0.00 0.00 61.98 61.87 2k4x s VAL 15 Cb -0.02 -4.30 -0.06 0.00 0.56 0.00 0.00 36.38 32.56 2k4x s VAL 15 CO -0.08 -0.48 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.04 2k4x s ARG 16 N 3.38 1.56 -0.01 4.82 1.81 -1.26 -5.08 118.95 124.17 2k4x s ARG 16 Ca 0.37 -1.79 -0.19 0.00 -1.72 0.00 0.00 55.73 52.41 2k4x s ARG 16 Cb -0.12 -1.18 -0.10 0.00 -0.45 0.00 0.00 34.95 33.09 2k4x s ARG 16 CO 0.17 0.04 0.84 0.87 -0.68 0.00 0.00 175.30 176.55 2k4x h LYS 17 N 2.27 -0.65 -3.44 3.54 1.57 -2.07 -3.50 116.57 114.30 2k4x h LYS 17 Ca -0.40 0.04 0.37 0.00 -1.87 0.00 0.00 60.65 58.80 2k4x h LYS 17 Cb 1.23 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 33.54 2k4x h LYS 17 CO 0.67 -0.43 -0.98 0.72 -0.57 0.00 0.00 179.45 178.86 2k4x n HIS 18 N -4.87 -3.82 -4.01 -1.35 8.25 -1.26 -5.00 115.22 103.16 2k4x n HIS 18 Ca -0.08 2.02 -0.11 0.00 -0.26 0.00 0.00 57.72 59.29 2k4x n HIS 18 Cb 0.26 -3.47 -0.11 0.00 1.12 0.00 0.00 29.99 27.79 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 -3.46 0.40 -0.10 -0.41 0.52 -1.26 -5.09 118.95 109.54 2k4x s ARG 19 Ca 0.00 -0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 54.46 2k4x s ARG 19 Cb 0.00 -0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.36 2k4x s ARG 19 CO 0.00 -0.01 0.22 -0.06 0.02 0.00 0.00 175.30 175.47 2k4x s PHE 20 N -1.39 3.61 0.16 -0.53 0.40 -1.26 -0.42 117.98 118.55 2k4x s PHE 20 Ca -0.13 0.63 -0.31 0.00 -0.60 0.00 0.00 56.93 56.52 2k4x s PHE 20 Cb -0.10 -2.07 -0.11 0.00 0.51 0.00 0.00 43.02 41.25 2k4x s PHE 20 CO -0.00 0.64 1.74 0.00 0.70 0.00 0.00 175.22 178.30 2k4x n PRO 22 N 4.69 -0.07 -0.12 0.00 -0.02 -1.26 0.82 135.00 139.03 2k4x n PRO 22 Ca 0.16 1.36 -0.25 0.00 -2.02 0.00 0.00 63.50 62.75 2k4x n PRO 22 Cb 0.37 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 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 -5.36 0.57 0.00 -0.52 5.12 -1.26 -4.37 116.66 110.85 2k4x n ARG 23 Ca 0.19 0.34 0.10 0.00 -1.93 0.00 0.00 57.85 56.55 2k4x n ARG 23 Cb 0.61 -1.55 0.59 0.00 -1.16 0.00 0.00 32.46 30.95 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 0.34 -2.03 3.55 0.00 0.00 0.24 -1.52 105.19 105.77 2k4x n GLY 25 Ca 0.14 0.56 -0.22 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.47 0.59 0.00 1.61 -0.02 -1.26 -1.29 135.00 131.16 2k4x n PRO 26 Ca 0.00 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 2k4x n PRO 26 Cb 0.06 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.34 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 2.68 2.78 -1.23 0.00 -1.25 -5.01 105.19 109.59 2k4x n GLY 27 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.53 1.01 0.00 1.61 1.01 -0.41 -5.13 120.40 115.96 2k4x s VAL 28 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2k4x s VAL 28 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2k4x s VAL 28 CO 0.00 -0.54 0.00 2.22 0.00 0.00 0.00 175.10 176.78 2k4x n PHE 29 N 4.81 -1.99 -4.03 5.22 1.16 -1.26 -3.03 117.46 118.35 2k4x n PHE 29 Ca -0.04 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.22 2k4x n PHE 29 Cb 0.43 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.15 2k4x n PHE 29 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2k4x s LEU 30 N 0.00 3.59 -0.41 5.98 2.96 0.44 -3.59 118.68 127.64 2k4x s LEU 30 Ca 0.00 -1.39 -0.27 0.00 -0.22 0.00 0.00 54.13 52.26 2k4x s LEU 30 Cb 0.00 -1.59 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 2k4x s LEU 30 CO 0.00 -0.21 2.35 0.00 -1.32 0.00 0.00 176.35 177.17 2k4x s ALA 31 N 1.13 1.95 -0.42 5.97 0.00 0.02 -4.44 121.76 125.96 2k4x s ALA 31 Ca -0.08 0.24 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 2k4x s ALA 31 Cb -0.20 -4.27 0.02 0.00 0.00 0.00 0.00 23.12 18.67 2k4x s ALA 31 CO -0.04 -3.98 0.79 -2.00 0.00 0.00 0.00 175.76 170.52 2k4x s GLU 32 N 7.71 3.52 0.14 0.00 2.12 -1.26 -0.81 118.70 130.11 2k4x s GLU 32 Ca 0.98 0.03 0.05 0.00 0.36 0.00 0.00 54.97 56.39 2k4x s GLU 32 Cb -0.22 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2k4x s GLU 32 CO 0.29 -1.04 0.10 -1.01 -0.54 0.00 0.00 175.26 173.05 2k4x s HIS 33 N 3.25 3.12 0.61 5.30 3.76 0.91 -4.99 115.29 127.24 2k4x s HIS 33 Ca 0.31 -0.00 0.30 0.00 -0.15 0.00 0.00 55.06 55.52 2k4x s HIS 33 Cb -0.12 -1.53 1.72 0.00 1.11 0.00 0.00 32.58 33.75 2k4x s HIS 33 CO 0.21 0.52 2.09 0.00 -0.85 0.00 0.00 174.74 176.71 2k4x h ALA 34 N 2.77 1.70 0.20 -1.40 0.00 -2.02 -0.89 119.26 119.61 2k4x h ALA 34 Ca -0.47 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 2k4x h ALA 34 Cb 1.19 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k4x h ALA 34 CO 0.63 -0.30 -1.42 -0.44 0.00 0.00 0.00 179.25 177.72 2k4x h ASP 35 N 0.00 0.65 -5.98 0.00 3.32 -1.97 -3.45 116.42 109.00 2k4x h ASP 35 Ca 0.08 -0.92 0.41 0.00 0.02 0.00 0.00 57.03 56.61 2k4x h ASP 35 Cb 0.51 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 2k4x h ASP 35 CO -0.00 1.66 1.01 0.00 -1.72 0.00 0.00 179.24 180.19 2k4x s ARG 36 N -2.54 0.05 0.14 3.56 1.70 -0.34 -2.53 118.95 118.98 2k4x s ARG 36 Ca -0.13 -0.03 -0.03 0.00 -0.47 0.00 0.00 55.73 55.07 2k4x s ARG 36 Cb 0.04 0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.38 2k4x s ARG 36 CO 0.88 -0.02 0.34 0.71 -1.08 0.00 0.00 175.30 176.12 2k4x s TYR 37 N -2.01 3.49 0.00 5.89 1.51 0.95 -0.06 117.35 127.12 2k4x s TYR 37 Ca 0.29 0.44 -0.13 0.00 -1.01 0.00 0.00 57.07 56.66 2k4x s TYR 37 Cb 0.02 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2k4x s TYR 37 CO -0.04 0.46 0.28 0.45 -1.11 0.00 0.00 175.55 175.59 2k4x s SER 38 N -2.59 -0.13 -0.32 2.29 0.15 0.01 -2.25 113.70 110.85 2k4x s SER 38 Ca 0.39 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 2k4x s SER 38 Cb -0.12 0.30 0.13 0.00 -1.71 0.00 0.00 66.02 64.62 2k4x s SER 38 CO 0.26 -0.48 0.20 0.00 1.20 0.00 0.00 173.24 174.43 2k4x n GLY 40 N 4.62 1.58 0.00 0.00 0.00 -1.26 -0.86 105.19 109.27 2k4x n GLY 40 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 7.66 0.00 0.00 1.61 3.00 -1.26 -4.95 116.66 122.72 2k4x n ARG 41 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 2k4x n ARG 41 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.89 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 0.00 0.54 3.65 0.00 0.00 -0.04 -4.97 105.19 104.37 2k4x n GLY 43 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.04 1.61 -0.04 1.61 6.14 -1.24 -4.79 117.35 118.60 2k4x s TYR 44 Ca 0.00 -0.06 0.02 0.00 0.64 0.00 0.00 57.07 57.67 2k4x s TYR 44 Cb 0.00 -4.07 0.02 0.00 0.42 0.00 0.00 41.96 38.32 2k4x s TYR 44 CO 0.00 -4.59 -0.07 0.99 0.64 0.00 0.00 175.55 172.52 2k4x s THR 45 N 4.61 0.70 -0.07 4.34 2.01 -1.26 -1.00 115.64 124.97 2k4x s THR 45 Ca 0.82 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 2k4x s THR 45 Cb -0.37 -0.68 0.04 0.00 0.01 0.00 0.00 72.50 71.50 2k4x s THR 45 CO 0.35 0.25 0.13 -0.70 -0.69 0.00 0.00 174.62 173.97 2k4x s GLU 46 N 0.69 0.02 0.45 4.92 2.12 -0.96 -4.97 118.70 120.97 2k4x s GLU 46 Ca -0.11 0.48 -0.23 0.00 0.36 0.00 0.00 54.97 55.47 2k4x s GLU 46 Cb -0.13 -0.30 -0.07 0.00 0.26 0.00 0.00 34.13 33.88 2k4x s GLU 46 CO 0.01 -0.28 1.18 -0.06 -0.54 0.00 0.00 175.26 175.57 2k4x s PHE 47 N 2.04 2.87 -1.17 5.30 0.08 -1.26 -0.04 117.98 125.80 2k4x s PHE 47 Ca 0.01 1.53 -0.19 0.00 0.12 0.00 0.00 56.93 58.40 2k4x s PHE 47 Cb -0.12 -3.42 -0.04 0.00 -0.57 0.00 0.00 43.02 38.88 2k4x s PHE 47 CO -0.05 -1.57 1.99 1.63 -0.10 0.00 0.00 175.22 177.12 2k4x n LYS 48 N -0.40 2.31 -2.79 0.44 4.76 -1.05 -4.84 118.16 116.59 2k4x n LYS 48 Ca 0.07 -2.48 -0.25 0.00 -2.87 0.00 0.00 58.31 52.77 2k4x n LYS 48 Cb 0.47 -3.29 0.01 0.00 -1.84 0.00 0.00 35.03 30.39 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 4.46 3.21 -0.96 1.97 2.20 -1.26 -4.95 119.74 124.41 2k4x s LYS 49 Ca 0.55 -0.16 -0.23 0.00 -0.36 0.00 0.00 55.97 55.77 2k4x s LYS 49 Cb 0.10 -2.45 -0.13 0.00 -1.51 0.00 0.00 37.83 33.83 2k4x s LYS 49 CO 0.04 -0.31 1.92 0.00 -0.36 0.00 0.00 175.35 176.64 2k4x n ALA 50 N -2.22 2.39 0.01 3.13 0.00 -1.26 -4.61 120.51 117.95 2k4x n ALA 50 Ca 0.01 -3.12 -0.14 0.00 0.00 0.00 0.00 53.44 50.19 2k4x n ALA 50 Cb 0.57 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.43 2k4x n ALA 50 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k4x h LYS 51 N 8.97 0.61 -3.11 0.00 1.63 -1.96 -3.38 116.57 119.33 2k4x h LYS 51 Ca 0.30 -0.50 -0.62 0.00 -0.85 0.00 0.00 60.65 58.98 2k4x h LYS 51 Cb 0.81 0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 32.15 2k4x h LYS 51 CO 1.57 1.13 -0.71 0.21 -3.45 0.00 0.00 179.45 178.20 2k4x s LYS 52 N -3.67 1.44 0.00 1.90 2.47 -1.26 -5.03 119.74 115.59 2k4x s LYS 52 Ca -0.08 -2.13 0.00 0.00 -1.56 0.00 0.00 55.97 52.19 2k4x s LYS 52 Cb 0.09 -2.57 0.00 0.00 -1.46 0.00 0.00 37.83 33.89 2k4x s LYS 52 CO 0.88 -1.14 0.05 0.43 0.16 0.00 0.00 175.35 175.72 2k4x n SER 53 N 3.47 0.00 -2.24 1.43 7.64 -1.26 -4.36 113.62 118.30 2k4x n SER 53 Ca 0.07 0.44 -0.31 0.00 1.01 0.00 0.00 58.87 60.08 2k4x n SER 53 Cb 0.34 -0.41 0.09 0.00 -1.01 0.00 0.00 64.21 63.22 2k4x n SER 53 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k4x n LYS 54 N -1.74 2.70 -0.45 1.43 4.81 -1.26 -5.17 118.16 118.49 2k4x n LYS 54 Ca 0.00 -3.35 0.00 0.00 -0.87 0.00 0.00 58.31 54.09 2k4x n LYS 54 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.79 2k4x n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00