#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 4.41 -0.76 0.03 0.00 -1.26 -4.90 119.66 117.18 2k4x s GLN 2 Ca 0.00 2.13 -0.26 0.00 -0.00 0.00 0.00 55.36 57.24 2k4x s GLN 2 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 33.01 29.90 2k4x s GLN 2 CO 0.00 -0.12 1.74 0.15 0.00 0.00 0.00 175.29 177.07 2k4x s LYS 3 N -1.64 2.81 -0.19 9.60 3.01 -1.26 -4.94 119.74 127.12 2k4x s LYS 3 Ca 0.48 0.02 -0.27 0.00 -1.01 0.00 0.00 55.97 55.19 2k4x s LYS 3 Cb -0.38 -4.65 -0.00 0.00 -1.01 0.00 0.00 37.83 31.78 2k4x s LYS 3 CO 0.50 -2.76 0.92 1.03 0.51 0.00 0.00 175.35 175.55 2k4x s ARG 4 N 6.59 4.28 -0.21 1.68 1.81 -1.26 -4.94 118.95 126.90 2k4x s ARG 4 Ca 0.60 1.16 -0.05 0.00 -1.72 0.00 0.00 55.73 55.71 2k4x s ARG 4 Cb -0.09 -3.61 -0.15 0.00 -0.45 0.00 0.00 34.95 30.65 2k4x s ARG 4 CO 0.10 -0.46 3.32 0.39 -0.68 0.00 0.00 175.30 177.97 2k4x n GLU 5 N 5.70 2.21 -0.97 3.54 1.02 -1.26 -4.88 120.64 126.01 2k4x n GLU 5 Ca 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 2k4x n GLU 5 Cb 0.48 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 2k4x n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k4x n LEU 6 N 2.00 -1.04 0.24 -4.62 4.32 -1.26 -4.55 117.00 112.09 2k4x n LEU 6 Ca 0.46 1.76 0.10 0.00 -0.02 0.00 0.00 56.01 58.31 2k4x n LEU 6 Cb 0.77 -1.55 0.57 0.00 -1.62 0.00 0.00 43.42 41.59 2k4x n LEU 6 CO 0.22 -0.51 0.87 1.88 -1.22 0.00 0.00 177.39 178.63 2k4x h TYR 7 N 0.10 0.00 -2.54 -1.77 -1.99 -2.03 -3.34 116.97 105.40 2k4x h TYR 7 Ca 0.00 0.00 -0.69 0.00 2.00 0.00 0.00 58.73 60.04 2k4x h TYR 7 Cb 0.60 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.15 2k4x h TYR 7 CO 0.05 0.20 0.72 -1.21 -0.00 0.00 0.00 178.16 177.92 2k4x s GLU 8 N -3.96 3.51 -0.08 4.88 2.02 -1.26 -5.01 118.70 118.80 2k4x s GLU 8 Ca -0.01 -1.67 -0.19 0.00 0.02 0.00 0.00 54.97 53.12 2k4x s GLU 8 Cb 0.12 -4.77 -0.05 0.00 0.10 0.00 0.00 34.13 29.53 2k4x s GLU 8 CO 0.62 -1.74 0.52 0.96 0.02 0.00 0.00 175.26 175.64 2k4x s ILE 9 N 2.70 5.09 0.12 -1.63 -4.36 -1.26 -4.92 121.20 116.95 2k4x s ILE 9 Ca 0.29 1.05 0.00 0.00 -0.26 0.00 0.00 60.65 61.74 2k4x s ILE 9 Cb -0.08 -3.85 0.00 0.00 1.25 0.00 0.00 42.46 39.78 2k4x s ILE 9 CO -0.06 0.37 0.00 0.00 0.24 0.00 0.00 174.94 175.48 2k4x n ALA 10 N 3.28 -1.36 -2.29 2.27 0.00 -1.26 -5.03 120.51 116.11 2k4x n ALA 10 Ca -0.07 0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 2k4x n ALA 10 Cb 0.51 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -3.07 -1.59 -3.70 0.00 2.03 -1.26 -5.05 116.55 103.90 2k4x n ASP 11 Ca 0.00 0.97 -0.18 0.00 0.52 0.00 0.00 54.79 56.10 2k4x n ASP 11 Cb 0.24 -4.07 0.11 0.00 -0.72 0.00 0.00 41.12 36.68 2k4x n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4x n GLY 12 N 1.11 -0.03 2.95 0.27 0.00 -1.26 -4.99 105.19 103.24 2k4x n GLY 12 Ca -0.26 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 2k4x n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4x n LYS 13 N -2.59 4.16 0.00 1.61 5.02 -1.26 -4.82 118.16 120.28 2k4x n LYS 13 Ca 0.12 -4.17 0.00 0.00 -2.02 0.00 0.00 58.31 52.24 2k4x n LYS 13 Cb 0.43 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 2k4x n LYS 13 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k4x n LEU 14 N 2.28 0.89 -0.33 -0.35 -0.00 -1.26 -4.00 117.00 114.23 2k4x n LEU 14 Ca 0.31 -0.45 -0.03 0.00 -0.00 0.00 0.00 56.01 55.84 2k4x n LEU 14 Cb 0.34 -0.45 0.09 0.00 -0.00 0.00 0.00 43.42 43.41 2k4x n LEU 14 CO 0.76 0.22 1.24 0.58 -0.00 0.00 0.00 177.39 180.20 2k4x h VAL 15 N 0.00 1.22 -3.51 1.47 2.07 -2.05 -3.34 116.25 112.11 2k4x h VAL 15 Ca 0.00 -0.41 -0.64 0.00 0.82 0.00 0.00 66.70 66.47 2k4x h VAL 15 Cb 0.45 -0.07 -0.40 0.00 -1.52 0.00 0.00 31.29 29.74 2k4x h VAL 15 CO 0.00 0.22 -0.71 -0.60 0.02 0.00 0.00 177.57 176.50 2k4x s ARG 16 N -6.13 1.44 0.47 1.57 6.06 -1.26 -5.11 118.95 116.00 2k4x s ARG 16 Ca -0.13 -1.90 0.08 0.00 -2.50 0.00 0.00 55.73 51.28 2k4x s ARG 16 Cb 0.17 -2.99 0.03 0.00 0.06 0.00 0.00 34.95 32.21 2k4x s ARG 16 CO 0.80 -0.99 0.64 0.15 -2.50 0.00 0.00 175.30 173.40 2k4x s LYS 17 N 0.75 2.68 -0.00 5.12 1.02 -1.26 -5.11 119.74 122.94 2k4x s LYS 17 Ca 0.12 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.49 2k4x s LYS 17 Cb -0.20 -2.72 0.12 0.00 -0.52 0.00 0.00 37.83 34.51 2k4x s LYS 17 CO -0.09 -0.45 1.27 -3.38 -0.92 0.00 0.00 175.35 171.78 2k4x s HIS 18 N -2.45 -0.04 0.29 3.18 -3.43 -1.26 -5.14 115.29 106.43 2k4x s HIS 18 Ca 0.57 -0.07 -0.30 0.00 -0.80 0.00 0.00 55.06 54.46 2k4x s HIS 18 Cb -0.09 0.55 -0.11 0.00 -1.43 0.00 0.00 32.58 31.50 2k4x s HIS 18 CO 0.35 -0.31 1.59 0.50 -2.00 0.00 0.00 174.74 174.86 2k4x s ARG 19 N -2.46 4.13 0.90 -0.38 3.52 -1.26 -5.01 118.95 118.39 2k4x s ARG 19 Ca 0.15 2.56 -0.14 0.00 -0.13 0.00 0.00 55.73 58.17 2k4x s ARG 19 Cb 0.04 -3.03 0.21 0.00 -1.56 0.00 0.00 34.95 30.61 2k4x s ARG 19 CO -0.03 -0.62 1.23 1.19 -0.81 0.00 0.00 175.30 176.25 2k4x n PHE 20 N 2.21 -3.90 -2.23 5.12 3.72 -1.26 -4.68 117.46 116.43 2k4x n PHE 20 Ca 0.08 -1.16 -0.42 0.00 -0.05 0.00 0.00 57.45 55.90 2k4x n PHE 20 Cb 0.37 -0.94 -0.03 0.00 -0.94 0.00 0.00 39.48 37.95 2k4x n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k4x n PRO 22 N 6.36 -0.07 -0.09 0.00 -0.02 -1.26 0.14 135.00 140.07 2k4x n PRO 22 Ca 0.15 1.38 -0.23 0.00 -2.02 0.00 0.00 63.50 62.78 2k4x n PRO 22 Cb 0.44 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.57 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 -5.35 0.61 0.00 -0.52 5.12 -1.26 -4.27 116.66 110.99 2k4x n ARG 23 Ca 0.23 0.46 0.15 0.00 -1.93 0.00 0.00 57.85 56.77 2k4x n ARG 23 Cb 0.77 -1.70 0.84 0.00 -1.16 0.00 0.00 32.46 31.21 2k4x n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k4x h GLY 25 N 4.98 -1.57 -7.34 0.00 0.00 0.12 0.12 103.07 99.37 2k4x h GLY 25 Ca 0.00 0.93 -0.26 0.00 0.00 0.00 0.00 47.33 48.00 2k4x h GLY 25 CO 0.00 -0.39 0.78 2.56 0.00 0.00 0.00 176.54 179.49 2k4x s PRO 26 N -4.51 2.29 0.00 4.80 0.04 -1.26 -2.79 135.00 133.57 2k4x s PRO 26 Ca -0.07 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.25 2k4x s PRO 26 Cb 0.06 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.48 2k4x s PRO 26 CO 0.37 -4.03 0.00 0.41 0.04 0.00 0.00 177.00 173.79 2k4x n GLY 27 N 6.22 1.27 2.97 0.56 0.00 -1.20 -5.10 105.19 109.92 2k4x n GLY 27 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.64 0.77 1.04 1.61 1.01 0.40 -5.15 120.40 119.43 2k4x s VAL 28 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 2k4x s VAL 28 Cb 0.00 -0.71 0.23 0.00 0.00 0.00 0.00 36.38 35.90 2k4x s VAL 28 CO 0.00 0.26 1.28 0.72 0.00 0.00 0.00 175.10 177.35 2k4x s PHE 29 N 0.47 1.16 -0.25 5.22 -0.71 -1.26 -3.88 117.98 118.73 2k4x s PHE 29 Ca -0.08 0.32 0.00 0.00 -1.04 0.00 0.00 56.93 56.14 2k4x s PHE 29 Cb -0.11 -3.99 0.07 0.00 -1.21 0.00 0.00 43.02 37.77 2k4x s PHE 29 CO 0.01 -3.07 -0.01 -1.17 -1.34 0.00 0.00 175.22 169.64 2k4x s LEU 30 N -6.21 2.47 -0.59 -1.99 2.96 -1.26 -4.36 118.68 109.71 2k4x s LEU 30 Ca 0.74 -1.25 -0.26 0.00 -0.22 0.00 0.00 54.13 53.14 2k4x s LEU 30 Cb -0.05 -1.08 -0.07 0.00 0.50 0.00 0.00 46.19 45.50 2k4x s LEU 30 CO 0.54 -0.28 2.28 0.00 -1.32 0.00 0.00 176.35 177.56 2k4x s ALA 31 N 1.46 1.58 0.02 5.97 0.00 0.11 -4.77 121.76 126.14 2k4x s ALA 31 Ca -0.02 -0.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 2k4x s ALA 31 Cb -0.18 -4.39 -0.04 0.00 0.00 0.00 0.00 23.12 18.51 2k4x s ALA 31 CO -0.09 -4.61 0.88 -2.00 0.00 0.00 0.00 175.76 169.94 2k4x s GLU 32 N 8.06 4.56 0.08 0.00 2.12 -1.26 0.17 118.70 132.43 2k4x s GLU 32 Ca 0.89 1.25 0.03 0.00 0.36 0.00 0.00 54.97 57.50 2k4x s GLU 32 Cb -0.15 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 2k4x s GLU 32 CO 0.21 0.11 -0.08 -1.01 -0.54 0.00 0.00 175.26 173.94 2k4x s HIS 33 N 0.49 0.89 0.63 5.30 3.76 0.91 -4.98 115.29 122.30 2k4x s HIS 33 Ca 0.45 -0.71 0.35 0.00 -0.15 0.00 0.00 55.06 55.00 2k4x s HIS 33 Cb -0.21 -0.51 1.97 0.00 1.11 0.00 0.00 32.58 34.95 2k4x s HIS 33 CO 0.26 -0.08 2.21 0.00 -0.85 0.00 0.00 174.74 176.28 2k4x h ALA 34 N 3.60 1.39 0.04 -1.40 0.00 -2.02 -1.67 119.26 119.20 2k4x h ALA 34 Ca -0.36 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.20 2k4x h ALA 34 Cb 1.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2k4x h ALA 34 CO 0.54 -0.13 -2.09 -0.25 0.00 0.00 0.00 179.25 177.33 2k4x n ASP 35 N -3.44 1.29 -3.64 0.00 8.00 -1.26 -4.79 116.55 112.71 2k4x n ASP 35 Ca -0.02 0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.64 2k4x n ASP 35 Cb 0.18 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 2k4x n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k4x s ARG 36 N -2.55 0.56 0.04 -1.24 1.70 -0.63 -1.30 118.95 115.53 2k4x s ARG 36 Ca -0.17 -0.29 -0.01 0.00 -0.47 0.00 0.00 55.73 54.79 2k4x s ARG 36 Cb 0.07 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 2k4x s ARG 36 CO 0.77 -0.25 0.21 0.71 -1.08 0.00 0.00 175.30 175.65 2k4x s TYR 37 N -2.62 3.53 0.04 5.89 1.51 0.99 -0.06 117.35 126.62 2k4x s TYR 37 Ca 0.13 0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.50 2k4x s TYR 37 Cb 0.03 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 2k4x s TYR 37 CO -0.03 0.60 -0.08 0.45 -1.11 0.00 0.00 175.55 175.38 2k4x s SER 38 N -2.34 0.94 -0.36 2.29 0.15 0.13 -2.25 113.70 112.26 2k4x s SER 38 Ca 0.33 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.52 2k4x s SER 38 Cb -0.13 -0.00 0.14 0.00 -1.71 0.00 0.00 66.02 64.32 2k4x s SER 38 CO 0.25 -0.13 0.24 0.00 1.20 0.00 0.00 173.24 174.80 2k4x n GLY 40 N 4.03 2.97 0.00 0.00 0.00 -1.26 -0.74 105.19 110.18 2k4x n GLY 40 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 5.12 0.00 0.00 1.61 3.00 -1.26 -4.92 116.66 120.21 2k4x n ARG 41 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 2k4x n ARG 41 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.68 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 -0.01 0.52 3.59 0.00 0.00 0.08 -4.95 105.19 104.42 2k4x n GLY 43 Ca 0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 1.46 -0.17 1.61 5.04 -1.21 -4.81 117.35 117.27 2k4x s TYR 44 Ca 0.00 0.78 -0.00 0.00 -2.44 0.00 0.00 57.07 55.40 2k4x s TYR 44 Cb 0.00 -3.97 0.04 0.00 0.35 0.00 0.00 41.96 38.38 2k4x s TYR 44 CO 0.00 -3.17 -0.07 0.99 -1.34 0.00 0.00 175.55 171.97 2k4x s THR 45 N 8.51 1.20 -0.05 4.34 2.01 -1.26 -0.95 115.64 129.44 2k4x s THR 45 Ca 0.88 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.24 2k4x s THR 45 Cb -0.24 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 70.96 2k4x s THR 45 CO 0.31 0.17 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.64 2k4x s GLU 46 N 1.60 1.15 0.55 4.92 2.56 -0.96 -4.98 118.70 123.55 2k4x s GLU 46 Ca 0.01 -0.22 -0.18 0.00 0.00 0.00 0.00 54.97 54.58 2k4x s GLU 46 Cb -0.15 -1.05 -0.05 0.00 2.00 0.00 0.00 34.13 34.87 2k4x s GLU 46 CO -0.08 -0.04 1.07 -0.06 -0.56 0.00 0.00 175.26 175.59 2k4x s PHE 47 N 0.84 2.88 -0.70 5.30 0.40 -1.26 -0.01 117.98 125.42 2k4x s PHE 47 Ca -0.12 1.55 -0.26 0.00 -0.60 0.00 0.00 56.93 57.50 2k4x s PHE 47 Cb -0.15 -3.11 -0.10 0.00 0.51 0.00 0.00 43.02 40.17 2k4x s PHE 47 CO 0.01 -1.18 2.32 0.15 0.70 0.00 0.00 175.22 177.22 2k4x s LYS 48 N -3.59 1.92 -0.60 0.44 -0.14 -0.42 -4.82 119.74 112.53 2k4x s LYS 48 Ca 0.67 0.69 -0.27 0.00 -1.36 0.00 0.00 55.97 55.70 2k4x s LYS 48 Cb -0.18 -4.73 0.01 0.00 -1.68 0.00 0.00 37.83 31.24 2k4x s LYS 48 CO 0.29 -3.87 1.49 0.15 -0.76 0.00 0.00 175.35 172.65 2k4x s LYS 49 N 8.38 3.14 -0.24 1.68 3.01 -1.26 -4.97 119.74 129.48 2k4x s LYS 49 Ca 0.90 0.38 -0.29 0.00 -1.01 0.00 0.00 55.97 55.95 2k4x s LYS 49 Cb -0.13 -4.19 -0.03 0.00 -1.01 0.00 0.00 37.83 32.46 2k4x s LYS 49 CO 0.13 -2.14 1.83 0.00 0.51 0.00 0.00 175.35 175.68 2k4x s ALA 50 N 6.64 3.05 0.18 5.17 0.00 -1.26 -4.97 121.76 130.58 2k4x s ALA 50 Ca 0.53 0.53 0.02 0.00 0.00 0.00 0.00 51.96 53.04 2k4x s ALA 50 Cb -0.11 -3.95 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 2k4x s ALA 50 CO 0.22 -2.32 0.00 0.15 0.00 0.00 0.00 175.76 173.82 2k4x s LYS 51 N 5.32 1.15 0.19 0.00 1.02 -1.26 -5.17 119.74 120.98 2k4x s LYS 51 Ca 0.81 -1.56 0.09 0.00 0.02 0.00 0.00 55.97 55.34 2k4x s LYS 51 Cb -0.27 -0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 2k4x s LYS 51 CO 0.33 -0.12 -0.19 0.15 -0.92 0.00 0.00 175.35 174.59 2k4x s LYS 52 N -3.91 1.37 0.47 1.68 1.02 -1.26 -5.15 119.74 113.97 2k4x s LYS 52 Ca 0.25 -1.48 -0.12 0.00 0.02 0.00 0.00 55.97 54.64 2k4x s LYS 52 Cb 0.06 -1.46 -0.06 0.00 -0.52 0.00 0.00 37.83 35.84 2k4x s LYS 52 CO 0.05 0.30 0.87 0.45 -0.92 0.00 0.00 175.35 176.09 2k4x s SER 53 N -2.80 6.50 0.66 2.83 0.15 -1.26 -5.04 113.70 114.73 2k4x s SER 53 Ca 0.19 1.28 -0.17 0.00 0.70 0.00 0.00 55.95 57.95 2k4x s SER 53 Cb -0.06 -2.39 -0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2k4x s SER 53 CO 0.08 -0.53 1.20 -1.59 1.20 0.00 0.00 173.24 173.61 2k4x s LYS 54 N -4.15 2.61 0.00 5.44 -2.85 -1.26 -5.37 119.74 114.16 2k4x s LYS 54 Ca 0.54 1.76 0.16 0.00 -1.00 0.00 0.00 55.97 57.43 2k4x s LYS 54 Cb -0.10 -1.89 0.98 0.00 -2.06 0.00 0.00 37.83 34.76 2k4x s LYS 54 CO 0.35 -1.48 1.39 0.43 0.10 0.00 0.00 175.35 176.14