#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 1.13 -0.10 0.03 -0.21 -1.26 -5.08 119.66 114.17 2k4x s GLN 2 Ca 0.00 -1.14 -0.07 0.00 0.02 0.00 0.00 55.36 54.18 2k4x s GLN 2 Cb 0.00 0.38 0.03 0.00 1.00 0.00 0.00 33.01 34.41 2k4x s GLN 2 CO 0.00 -0.41 0.14 1.17 -2.12 0.00 0.00 175.29 174.07 2k4x n LYS 3 N -0.20 -2.66 -2.46 2.91 4.81 -1.26 -4.92 118.16 114.38 2k4x n LYS 3 Ca -0.08 2.21 -0.42 0.00 -0.87 0.00 0.00 58.31 59.15 2k4x n LYS 3 Cb 0.63 -3.29 -0.03 0.00 0.02 0.00 0.00 35.03 32.35 2k4x n LYS 3 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2k4x s ARG 4 N -0.84 4.49 -1.57 1.64 3.52 -1.26 -4.93 118.95 120.00 2k4x s ARG 4 Ca -0.16 1.75 -0.11 0.00 -0.13 0.00 0.00 55.73 57.08 2k4x s ARG 4 Cb 0.01 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2k4x s ARG 4 CO 0.43 -0.14 2.71 0.39 -0.81 0.00 0.00 175.30 177.88 2k4x n GLU 5 N 3.36 3.43 0.14 5.12 1.02 -1.26 -4.44 120.64 128.01 2k4x n GLU 5 Ca 0.07 -2.36 -0.24 0.00 -0.02 0.00 0.00 57.16 54.61 2k4x n GLU 5 Cb 0.46 -2.96 -0.16 0.00 -0.02 0.00 0.00 31.44 28.76 2k4x n GLU 5 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k4x h LEU 6 N 7.98 0.81 -6.00 -4.62 3.38 -2.04 -3.45 115.31 111.38 2k4x h LEU 6 Ca 0.77 -0.88 0.14 0.00 0.09 0.00 0.00 57.88 58.00 2k4x h LEU 6 Cb 0.40 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 40.68 2k4x h LEU 6 CO 1.82 1.69 -0.14 -0.72 0.09 0.00 0.00 178.44 181.18 2k4x s TYR 7 N -2.60 -1.24 0.57 1.13 1.13 -1.26 -5.17 117.35 109.92 2k4x s TYR 7 Ca -0.09 1.25 -0.14 0.00 -1.41 0.00 0.00 57.07 56.68 2k4x s TYR 7 Cb 0.04 0.41 -0.05 0.00 -1.10 0.00 0.00 41.96 41.26 2k4x s TYR 7 CO 0.94 -0.68 1.02 -1.83 -2.51 0.00 0.00 175.55 172.49 2k4x s GLU 8 N 2.89 3.64 0.65 -3.49 -1.05 -1.26 -5.05 118.70 115.03 2k4x s GLU 8 Ca 0.13 0.95 -0.11 0.00 -0.15 0.00 0.00 54.97 55.79 2k4x s GLU 8 Cb -0.13 -2.09 -0.02 0.00 -0.44 0.00 0.00 34.13 31.46 2k4x s GLU 8 CO -0.18 -0.53 1.04 0.96 0.95 0.00 0.00 175.26 177.50 2k4x s ILE 9 N -2.77 4.37 -0.10 1.83 -4.36 -1.26 -4.99 121.20 113.91 2k4x s ILE 9 Ca 0.59 0.79 0.09 0.00 -0.26 0.00 0.00 60.65 61.86 2k4x s ILE 9 Cb -0.12 -3.64 -0.13 0.00 1.25 0.00 0.00 42.46 39.82 2k4x s ILE 9 CO 0.40 -0.99 0.04 0.00 0.24 0.00 0.00 174.94 174.63 2k4x n ALA 10 N -2.88 1.75 -0.51 2.27 0.00 -1.26 -4.85 120.51 115.03 2k4x n ALA 10 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2k4x n ALA 10 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.38 0.00 -0.07 0.00 2.03 -1.26 -4.85 116.55 110.01 2k4x n ASP 11 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2k4x n ASP 11 Cb 0.84 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.23 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 0.00 -2.81 4.88 0.27 0.00 -1.26 -5.05 105.19 101.23 2k4x n GLY 12 Ca 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.69 -0.64 -0.46 1.61 4.81 -1.26 -5.07 118.16 115.46 2k4x n LYS 13 Ca -0.00 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2k4x n LYS 13 Cb 0.03 -0.78 0.00 0.00 0.02 0.00 0.00 35.03 34.30 2k4x n LYS 13 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k4x n LEU 14 N 0.00 -3.02 0.04 3.14 7.99 -1.26 -4.92 117.00 118.97 2k4x n LEU 14 Ca 0.00 0.81 -0.06 0.00 -0.01 0.00 0.00 56.01 56.75 2k4x n LEU 14 Cb 0.14 -0.03 -0.11 0.00 -0.11 0.00 0.00 43.42 43.31 2k4x n LEU 14 CO 0.00 -0.15 -0.10 0.58 -1.51 0.00 0.00 177.39 176.22 2k4x h VAL 15 N 0.74 1.25 -0.61 4.08 2.07 -1.99 -3.41 116.25 118.37 2k4x h VAL 15 Ca 0.00 -2.97 -0.37 0.00 0.82 0.00 0.00 66.70 64.18 2k4x h VAL 15 Cb 0.00 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 2k4x h VAL 15 CO 0.00 0.71 1.12 -0.13 0.02 0.00 0.00 177.57 179.29 2k4x s ARG 16 N -2.71 2.73 -1.43 1.57 0.52 -1.26 -4.82 118.95 113.55 2k4x s ARG 16 Ca -0.01 -1.01 -0.09 0.00 -0.52 0.00 0.00 55.73 54.10 2k4x s ARG 16 Cb 0.09 -5.23 0.06 0.00 0.52 0.00 0.00 34.95 30.38 2k4x s ARG 16 CO 0.82 -3.54 2.42 1.17 0.02 0.00 0.00 175.30 176.18 2k4x n LYS 17 N 8.49 3.83 -2.93 3.54 4.81 -1.26 -4.44 118.16 130.19 2k4x n LYS 17 Ca 0.43 -2.96 0.01 0.00 -0.87 0.00 0.00 58.31 54.92 2k4x n LYS 17 Cb 0.47 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.66 2k4x n LYS 17 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 2k4x s HIS 18 N 0.89 -0.88 0.51 5.64 -3.43 -1.26 -5.06 115.29 111.69 2k4x s HIS 18 Ca 0.54 0.13 -0.03 0.00 -0.80 0.00 0.00 55.06 54.90 2k4x s HIS 18 Cb 0.16 0.16 -0.00 0.00 -1.43 0.00 0.00 32.58 31.46 2k4x s HIS 18 CO -0.06 -0.60 0.77 1.03 -2.00 0.00 0.00 174.74 173.88 2k4x s ARG 19 N 1.91 3.10 0.03 -0.38 1.81 -1.26 -4.96 118.95 119.19 2k4x s ARG 19 Ca 0.15 -0.18 0.02 0.00 -1.72 0.00 0.00 55.73 54.00 2k4x s ARG 19 Cb 0.01 -2.42 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 2k4x s ARG 19 CO -0.12 -0.41 0.02 -0.06 -0.68 0.00 0.00 175.30 174.05 2k4x s PHE 20 N -2.75 3.10 -0.02 -0.53 0.08 -1.26 -1.35 117.98 115.26 2k4x s PHE 20 Ca 0.50 0.07 -0.30 0.00 0.12 0.00 0.00 56.93 57.32 2k4x s PHE 20 Cb -0.10 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 2k4x s PHE 20 CO 0.42 0.49 1.31 0.00 -0.10 0.00 0.00 175.22 177.33 2k4x n PRO 22 N 5.21 -0.27 0.01 0.00 -0.02 -1.26 0.20 135.00 138.87 2k4x n PRO 22 Ca 0.12 1.09 -0.04 0.00 -2.02 0.00 0.00 63.50 62.65 2k4x n PRO 22 Cb 0.45 -1.61 -0.11 0.00 -0.02 0.00 0.00 33.50 32.21 2k4x n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4x h ARG 23 N 0.00 0.00 -0.00 -0.52 3.08 -1.96 -3.28 114.38 111.70 2k4x h ARG 23 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2k4x h ARG 23 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2k4x h ARG 23 CO -0.58 0.41 -0.33 0.00 -1.07 0.00 0.00 179.97 178.41 2k4x h GLY 25 N 4.99 -1.47 -7.32 0.00 0.00 0.24 -0.35 103.07 99.15 2k4x h GLY 25 Ca 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 47.33 48.20 2k4x h GLY 25 CO 0.00 -0.33 0.16 -1.05 0.00 0.00 0.00 176.54 175.32 2k4x n PRO 26 N -4.47 0.53 0.00 4.80 -0.02 -1.26 -1.56 135.00 133.02 2k4x n PRO 26 Ca 0.01 -0.79 0.00 0.00 -2.02 0.00 0.00 63.50 60.70 2k4x n PRO 26 Cb 0.18 -3.52 0.00 0.00 -0.02 0.00 0.00 33.50 30.14 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 6.72 1.91 2.72 -1.23 0.00 -1.24 -5.03 105.19 109.03 2k4x n GLY 27 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.95 0.69 0.77 1.61 1.01 -0.14 -5.14 120.40 117.25 2k4x s VAL 28 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 2k4x s VAL 28 Cb 0.00 -1.41 0.19 0.00 0.00 0.00 0.00 36.38 35.16 2k4x s VAL 28 CO 0.00 -0.53 0.70 2.22 0.00 0.00 0.00 175.10 177.50 2k4x n PHE 29 N 4.95 -3.59 -3.83 5.22 -1.74 -1.26 -3.14 117.46 114.07 2k4x n PHE 29 Ca -0.05 -0.64 -0.36 0.00 -0.56 0.00 0.00 57.45 55.85 2k4x n PHE 29 Cb 0.44 -0.72 -0.13 0.00 1.52 0.00 0.00 39.48 40.59 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 4.58 -0.38 5.98 2.96 -0.45 -4.12 118.68 127.24 2k4x s LEU 30 Ca 0.45 -1.61 -0.27 0.00 -0.22 0.00 0.00 54.13 52.48 2k4x s LEU 30 Cb -0.04 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 2k4x s LEU 30 CO 0.34 -0.40 2.34 0.00 -1.32 0.00 0.00 176.35 177.32 2k4x n ALA 31 N 4.63 1.19 -2.37 5.97 0.00 0.39 -4.44 120.51 125.87 2k4x n ALA 31 Ca -0.08 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 2k4x n ALA 31 Cb 0.43 -3.09 -0.04 0.00 0.00 0.00 0.00 19.45 16.75 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 7.52 4.64 0.10 0.00 2.12 -1.26 -0.32 118.70 131.49 2k4x s GLU 32 Ca 1.00 1.49 0.02 0.00 0.36 0.00 0.00 54.97 57.84 2k4x s GLU 32 Cb -0.25 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 2k4x s GLU 32 CO 0.30 0.10 -0.08 -1.01 -0.54 0.00 0.00 175.26 174.04 2k4x s HIS 33 N 0.31 0.92 0.36 5.30 3.76 0.68 -4.97 115.29 121.65 2k4x s HIS 33 Ca 0.49 -0.81 0.10 0.00 -0.15 0.00 0.00 55.06 54.69 2k4x s HIS 33 Cb -0.24 -0.52 0.85 0.00 1.11 0.00 0.00 32.58 33.78 2k4x s HIS 33 CO 0.30 -0.10 1.87 0.00 -0.85 0.00 0.00 174.74 175.96 2k4x h ALA 34 N 3.24 1.87 0.17 -1.40 0.00 -2.03 -1.55 119.26 119.56 2k4x h ALA 34 Ca -0.36 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 2k4x h ALA 34 Cb 1.18 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k4x h ALA 34 CO 0.60 -0.11 -1.46 -0.44 0.00 0.00 0.00 179.25 177.83 2k4x h ASP 35 N 0.66 0.55 -5.79 0.00 5.19 -1.98 -3.45 116.42 111.59 2k4x h ASP 35 Ca 0.45 -0.66 0.33 0.00 -0.62 0.00 0.00 57.03 56.53 2k4x h ASP 35 Cb 0.76 -0.18 -0.10 0.00 0.18 0.00 0.00 39.33 39.99 2k4x h ASP 35 CO -0.20 1.53 0.85 0.00 -3.12 0.00 0.00 179.24 178.30 2k4x s ARG 36 N -2.62 0.42 0.12 3.56 1.70 -0.58 -2.47 118.95 119.08 2k4x s ARG 36 Ca -0.08 -0.25 -0.01 0.00 -0.47 0.00 0.00 55.73 54.91 2k4x s ARG 36 Cb 0.06 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 2k4x s ARG 36 CO 0.89 -0.19 0.30 0.71 -1.08 0.00 0.00 175.30 175.92 2k4x s TYR 37 N -2.24 3.50 0.04 5.89 2.02 0.16 -0.23 117.35 126.49 2k4x s TYR 37 Ca 0.21 0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 57.21 2k4x s TYR 37 Cb 0.02 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 2k4x s TYR 37 CO -0.02 0.50 0.03 0.45 -1.57 0.00 0.00 175.55 174.93 2k4x s SER 38 N -2.71 0.30 -0.12 2.29 0.15 0.56 -1.48 113.70 112.70 2k4x s SER 38 Ca 0.37 -0.70 -0.05 0.00 0.70 0.00 0.00 55.95 56.27 2k4x s SER 38 Cb -0.12 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.44 2k4x s SER 38 CO 0.27 -0.51 0.26 0.00 1.20 0.00 0.00 173.24 174.47 2k4x n GLY 40 N 4.92 -2.64 5.00 0.00 0.00 -1.26 -1.00 105.19 110.21 2k4x n GLY 40 Ca -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.90 0.00 0.00 1.61 3.00 -1.26 -3.32 116.66 114.78 2k4x n ARG 41 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2k4x n ARG 41 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.52 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 1.11 0.56 3.60 0.00 0.00 -0.17 -4.97 105.19 105.33 2k4x n GLY 43 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 1.31 -0.27 1.61 6.14 -1.12 -4.67 117.35 118.34 2k4x s TYR 44 Ca 0.00 0.57 0.02 0.00 0.64 0.00 0.00 57.07 58.30 2k4x s TYR 44 Cb 0.00 -3.97 0.07 0.00 0.42 0.00 0.00 41.96 38.48 2k4x s TYR 44 CO 0.00 -3.82 -0.04 0.99 0.64 0.00 0.00 175.55 173.32 2k4x s THR 45 N 8.04 1.90 0.32 4.34 2.01 -1.26 -0.01 115.64 130.99 2k4x s THR 45 Ca 0.96 -1.66 0.08 0.00 0.31 0.00 0.00 61.69 61.38 2k4x s THR 45 Cb -0.30 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2k4x s THR 45 CO 0.35 -0.23 0.24 -0.70 -0.69 0.00 0.00 174.62 173.58 2k4x s GLU 46 N 1.18 2.68 0.10 4.92 2.56 -0.55 -4.94 118.70 124.66 2k4x s GLU 46 Ca -0.02 -1.30 0.02 0.00 0.00 0.00 0.00 54.97 53.67 2k4x s GLU 46 Cb -0.19 -2.43 -0.04 0.00 2.00 0.00 0.00 34.13 33.47 2k4x s GLU 46 CO -0.07 0.17 0.22 -0.06 -0.56 0.00 0.00 175.26 174.95 2k4x s PHE 47 N -2.29 3.45 0.53 5.30 0.08 -1.26 0.39 117.98 124.18 2k4x s PHE 47 Ca 0.38 0.16 -0.15 0.00 0.12 0.00 0.00 56.93 57.45 2k4x s PHE 47 Cb -0.06 -1.69 -0.07 0.00 -0.57 0.00 0.00 43.02 40.63 2k4x s PHE 47 CO 0.25 0.55 0.99 0.15 -0.10 0.00 0.00 175.22 177.06 2k4x s LYS 48 N -2.81 3.87 -0.03 0.44 -0.14 -1.03 -4.70 119.74 115.33 2k4x s LYS 48 Ca 0.34 0.90 -0.00 0.00 -1.36 0.00 0.00 55.97 55.84 2k4x s LYS 48 Cb -0.12 -2.13 0.03 0.00 -1.68 0.00 0.00 37.83 33.93 2k4x s LYS 48 CO 0.27 -0.33 0.01 0.15 -0.76 0.00 0.00 175.35 174.70 2k4x s LYS 49 N -4.30 0.23 -0.09 1.68 -0.14 -1.26 -4.96 119.74 110.90 2k4x s LYS 49 Ca 0.58 0.14 -0.03 0.00 -1.36 0.00 0.00 55.97 55.31 2k4x s LYS 49 Cb -0.10 -0.51 -0.06 0.00 -1.68 0.00 0.00 37.83 35.48 2k4x s LYS 49 CO 0.36 -0.19 2.64 0.00 -0.76 0.00 0.00 175.35 177.40 2k4x n ALA 50 N 4.45 5.21 -2.29 5.17 0.00 -1.26 -4.90 120.51 126.89 2k4x n ALA 50 Ca -0.21 -1.15 -0.43 0.00 0.00 0.00 0.00 53.44 51.66 2k4x n ALA 50 Cb 0.50 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 2k4x n ALA 50 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k4x s LYS 51 N -0.07 4.15 -0.55 0.00 2.47 -1.26 -4.98 119.74 119.50 2k4x s LYS 51 Ca 0.33 1.76 -0.21 0.00 -1.56 0.00 0.00 55.97 56.29 2k4x s LYS 51 Cb 0.18 -3.86 0.06 0.00 -1.46 0.00 0.00 37.83 32.75 2k4x s LYS 51 CO -0.02 -0.84 0.75 0.15 0.16 0.00 0.00 175.35 175.54 2k4x s LYS 52 N 3.82 3.15 -0.58 4.03 1.02 -1.26 -4.77 119.74 125.15 2k4x s LYS 52 Ca 0.61 -0.82 -0.27 0.00 0.02 0.00 0.00 55.97 55.51 2k4x s LYS 52 Cb -0.24 -4.13 -0.03 0.00 -0.52 0.00 0.00 37.83 32.91 2k4x s LYS 52 CO 0.21 -1.41 1.92 -1.54 -0.92 0.00 0.00 175.35 173.61 2k4x s SER 53 N 3.00 5.21 0.16 2.83 1.04 -1.26 -4.93 113.70 119.75 2k4x s SER 53 Ca 0.19 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2k4x s SER 53 Cb -0.18 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2k4x s SER 53 CO 0.12 -2.39 0.04 -1.59 0.98 0.00 0.00 173.24 170.40 2k4x s LYS 54 N 7.09 1.03 0.00 4.02 -2.85 -1.26 -5.06 119.74 122.71 2k4x s LYS 54 Ca 0.72 -1.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2k4x s LYS 54 Cb -0.14 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.66 2k4x s LYS 54 CO 0.22 -0.22 0.21 0.45 0.10 0.00 0.00 175.35 176.12