#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 0.28 0.04 3.17 -2.07 -1.26 -5.17 119.66 114.66 2k4x s GLN 2 Ca 0.00 -0.43 0.08 0.00 -1.82 0.00 0.00 55.36 53.20 2k4x s GLN 2 Cb 0.00 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 2k4x s GLN 2 CO 0.00 -0.05 -0.24 -1.59 -1.32 0.00 0.00 175.29 172.09 2k4x s LYS 3 N -1.12 1.64 -0.99 9.60 -2.85 -1.26 -5.06 119.74 119.69 2k4x s LYS 3 Ca -0.12 -1.03 -0.23 0.00 -1.00 0.00 0.00 55.97 53.58 2k4x s LYS 3 Cb -0.07 -1.78 0.03 0.00 -2.06 0.00 0.00 37.83 33.94 2k4x s LYS 3 CO -0.00 0.46 1.56 1.03 0.10 0.00 0.00 175.35 178.49 2k4x s ARG 4 N -1.19 3.36 -0.36 1.78 0.52 -1.26 -4.85 118.95 116.95 2k4x s ARG 4 Ca 0.10 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 2k4x s ARG 4 Cb -0.09 -5.28 0.15 0.00 0.52 0.00 0.00 34.95 30.25 2k4x s ARG 4 CO 0.02 -2.47 0.36 -2.00 0.02 0.00 0.00 175.30 171.23 2k4x s GLU 5 N 5.43 0.60 -0.27 3.54 2.12 -1.26 -5.10 118.70 123.75 2k4x s GLU 5 Ca 0.51 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 55.07 2k4x s GLU 5 Cb -0.02 -0.75 0.07 0.00 0.26 0.00 0.00 34.13 33.69 2k4x s GLU 5 CO -0.08 -1.18 -0.07 -0.51 -0.54 0.00 0.00 175.26 172.89 2k4x s LEU 6 N 1.52 3.58 -0.95 2.70 1.43 -1.26 -5.06 118.68 120.64 2k4x s LEU 6 Ca 0.16 -1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 51.49 2k4x s LEU 6 Cb -0.16 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2k4x s LEU 6 CO -0.07 -0.24 1.86 -0.31 0.23 0.00 0.00 176.35 177.82 2k4x s TYR 7 N 1.11 1.96 0.92 0.29 2.02 -1.26 -4.95 117.35 117.44 2k4x s TYR 7 Ca -0.04 0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.83 2k4x s TYR 7 Cb -0.20 -4.17 0.17 0.00 -0.40 0.00 0.00 41.96 37.36 2k4x s TYR 7 CO -0.06 -1.74 1.27 -1.83 -1.57 0.00 0.00 175.55 171.63 2k4x s GLU 8 N 6.56 0.99 -0.30 -0.62 -1.05 -1.26 -5.08 118.70 117.95 2k4x s GLU 8 Ca 0.66 -0.23 -0.02 0.00 -0.15 0.00 0.00 54.97 55.22 2k4x s GLU 8 Cb -0.05 -1.87 0.10 0.00 -0.44 0.00 0.00 34.13 31.87 2k4x s GLU 8 CO -0.01 -2.20 0.11 0.42 0.95 0.00 0.00 175.26 174.53 2k4x s ILE 9 N -3.77 0.50 0.00 1.83 1.01 -1.26 -4.92 121.20 114.59 2k4x s ILE 9 Ca 0.70 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2k4x s ILE 9 Cb -0.06 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2k4x s ILE 9 CO 0.52 -0.70 0.16 0.00 0.00 0.00 0.00 174.94 174.92 2k4x n ALA 10 N 5.00 0.35 -1.57 9.38 0.00 -1.26 -5.11 120.51 127.30 2k4x n ALA 10 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k4x n ALA 10 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2k4x n ALA 10 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k4x n ASP 11 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.65 116.55 116.39 2k4x n ASP 11 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2k4x n ASP 11 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 2k4x n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k4x n GLY 12 N 5.00 1.78 1.55 6.12 0.00 -1.26 -4.76 105.19 113.62 2k4x n GLY 12 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.22 0.09 1.61 5.02 -1.26 -4.11 118.16 120.73 2k4x n LYS 13 Ca 0.00 -0.44 -0.15 0.00 -2.02 0.00 0.00 58.31 55.70 2k4x n LYS 13 Cb 0.00 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 2k4x n LYS 13 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2k4x h LEU 14 N 2.60 0.37 -1.54 -0.35 3.38 -1.94 -3.10 115.31 114.73 2k4x h LEU 14 Ca 0.08 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2k4x h LEU 14 Cb 1.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2k4x h LEU 14 CO 0.21 1.33 -0.09 1.62 0.09 0.00 0.00 178.44 181.60 2k4x h VAL 15 N 0.06 1.14 -1.21 1.22 3.04 -2.01 -3.41 116.25 115.08 2k4x h VAL 15 Ca -0.14 -0.60 0.06 0.00 -1.01 0.00 0.00 66.70 65.01 2k4x h VAL 15 Cb 1.96 1.15 -0.22 0.00 -2.01 0.00 0.00 31.29 32.17 2k4x h VAL 15 CO 0.19 0.19 -0.28 -0.60 -1.01 0.00 0.00 177.57 176.05 2k4x s ARG 16 N -4.82 0.54 -0.76 4.17 3.52 -1.22 -5.10 118.95 115.28 2k4x s ARG 16 Ca -0.05 1.00 -0.26 0.00 -0.13 0.00 0.00 55.73 56.29 2k4x s ARG 16 Cb 0.16 0.47 -0.00 0.00 -1.56 0.00 0.00 34.95 34.02 2k4x s ARG 16 CO 0.72 -0.58 1.67 0.15 -0.81 0.00 0.00 175.30 176.45 2k4x s LYS 17 N 2.83 2.89 -1.30 5.12 3.01 -1.18 -4.74 119.74 126.37 2k4x s LYS 17 Ca 0.17 -0.04 -0.06 0.00 -1.01 0.00 0.00 55.97 55.04 2k4x s LYS 17 Cb -0.15 -4.60 0.08 0.00 -1.01 0.00 0.00 37.83 32.15 2k4x s LYS 17 CO -0.20 -2.64 2.51 0.72 0.51 0.00 0.00 175.35 176.25 2k4x n HIS 18 N 11.58 2.48 -3.09 3.18 8.25 -1.26 -4.89 115.22 131.48 2k4x n HIS 18 Ca 0.22 -2.80 -0.45 0.00 -0.26 0.00 0.00 57.72 54.43 2k4x n HIS 18 Cb 0.50 -1.90 -0.04 0.00 1.12 0.00 0.00 29.99 29.67 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 -0.69 3.13 0.84 -0.41 0.52 -1.26 -5.05 118.95 116.02 2k4x s ARG 19 Ca 0.57 -1.40 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 2k4x s ARG 19 Cb 0.20 -4.33 0.09 0.00 0.52 0.00 0.00 34.95 31.43 2k4x s ARG 19 CO -0.10 -1.56 1.10 -0.06 0.02 0.00 0.00 175.30 174.70 2k4x s PHE 20 N 2.62 2.64 0.00 -0.53 0.40 -1.26 -4.26 117.98 117.59 2k4x s PHE 20 Ca 0.14 1.18 -0.30 0.00 -0.60 0.00 0.00 56.93 57.34 2k4x s PHE 20 Cb -0.21 -3.15 -0.05 0.00 0.51 0.00 0.00 43.02 40.11 2k4x s PHE 20 CO 0.04 -2.02 1.38 0.00 0.70 0.00 0.00 175.22 175.33 2k4x h PRO 22 N 7.75 0.10 0.09 0.00 0.11 -1.93 1.11 132.00 139.24 2k4x h PRO 22 Ca -0.38 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.45 2k4x h PRO 22 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2k4x h PRO 22 CO 0.90 0.07 -1.46 0.00 -0.21 0.00 0.00 178.00 177.29 2k4x h ARG 23 N 0.11 0.18 -0.01 1.05 2.47 -1.96 -3.37 114.38 112.85 2k4x h ARG 23 Ca 0.49 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2k4x h ARG 23 Cb 0.94 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2k4x h ARG 23 CO -0.73 1.15 -0.03 0.00 0.56 0.00 0.00 179.97 180.92 2k4x n GLY 25 N 1.16 -2.48 3.58 0.00 0.00 0.38 -0.73 105.19 107.10 2k4x n GLY 25 Ca 0.19 0.98 -0.18 0.00 0.00 0.00 0.00 46.02 47.00 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 -4.96 1.57 0.00 1.61 0.02 -1.26 -2.37 135.00 129.62 2k4x s PRO 26 Ca -0.09 -0.52 0.00 0.00 0.02 0.00 0.00 61.00 60.42 2k4x s PRO 26 Cb 0.08 -5.03 0.00 0.00 0.02 0.00 0.00 34.50 29.57 2k4x s PRO 26 CO 0.45 -4.98 0.00 0.41 -0.33 0.00 0.00 177.00 172.55 2k4x n GLY 27 N 6.16 1.32 2.77 0.52 0.00 -1.22 -5.07 105.19 109.67 2k4x n GLY 27 Ca 0.43 0.00 -0.28 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 -1.09 0.73 0.24 1.61 1.01 0.09 -5.14 120.40 117.85 2k4x s VAL 28 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2k4x s VAL 28 Cb 0.00 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 35.24 2k4x s VAL 28 CO 0.00 -0.21 0.22 2.22 0.00 0.00 0.00 175.10 177.34 2k4x n PHE 29 N 4.97 -3.27 -3.81 5.22 -1.74 -1.26 -3.53 117.46 114.04 2k4x n PHE 29 Ca -0.09 -0.20 -0.37 0.00 -0.56 0.00 0.00 57.45 56.23 2k4x n PHE 29 Cb 0.46 -0.22 -0.13 0.00 1.52 0.00 0.00 39.48 41.11 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 3.80 -0.20 5.98 2.96 -1.26 -4.29 118.68 125.67 2k4x s LEU 30 Ca 0.14 -0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 2k4x s LEU 30 Cb -0.01 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2k4x s LEU 30 CO 0.11 -0.20 1.95 0.00 -1.32 0.00 0.00 176.35 176.89 2k4x s ALA 31 N 1.44 3.02 -0.32 5.97 0.00 0.85 -4.83 121.76 127.89 2k4x s ALA 31 Ca 0.01 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 2k4x s ALA 31 Cb -0.18 -3.97 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 2k4x s ALA 31 CO 0.01 -2.36 0.62 -2.00 0.00 0.00 0.00 175.76 172.03 2k4x s GLU 32 N 5.51 3.84 0.14 0.00 2.12 -1.26 -0.58 118.70 128.48 2k4x s GLU 32 Ca 0.88 0.22 0.07 0.00 0.36 0.00 0.00 54.97 56.50 2k4x s GLU 32 Cb -0.31 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 2k4x s GLU 32 CO 0.35 -0.60 -0.06 -1.01 -0.54 0.00 0.00 175.26 173.39 2k4x s HIS 33 N 2.61 2.76 0.50 5.30 3.76 0.85 -5.01 115.29 126.06 2k4x s HIS 33 Ca 0.25 -0.16 0.23 0.00 -0.15 0.00 0.00 55.06 55.23 2k4x s HIS 33 Cb -0.15 -1.39 1.30 0.00 1.11 0.00 0.00 32.58 33.45 2k4x s HIS 33 CO 0.12 0.48 1.95 0.00 -0.85 0.00 0.00 174.74 176.44 2k4x h ALA 34 N 3.13 2.43 0.06 -1.40 0.00 -2.03 -1.62 119.26 119.84 2k4x h ALA 34 Ca -0.48 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.10 2k4x h ALA 34 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k4x h ALA 34 CO 0.55 -0.62 -1.82 -0.44 0.00 0.00 0.00 179.25 176.92 2k4x h ASP 35 N 0.14 0.21 -5.38 0.00 3.32 -2.00 -3.48 116.42 109.24 2k4x h ASP 35 Ca 0.33 -0.46 0.19 0.00 0.02 0.00 0.00 57.03 57.10 2k4x h ASP 35 Cb 1.09 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.50 2k4x h ASP 35 CO -0.05 1.41 0.53 0.00 -1.72 0.00 0.00 179.24 179.41 2k4x s ARG 36 N -2.58 1.16 0.15 3.56 1.70 -0.61 -2.58 118.95 119.75 2k4x s ARG 36 Ca -0.13 -0.66 -0.00 0.00 -0.47 0.00 0.00 55.73 54.47 2k4x s ARG 36 Cb 0.07 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2k4x s ARG 36 CO 0.80 -0.53 0.32 0.71 -1.08 0.00 0.00 175.30 175.52 2k4x s TYR 37 N -3.03 3.49 0.16 5.89 2.02 0.13 -0.10 117.35 125.91 2k4x s TYR 37 Ca 0.14 0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.97 2k4x s TYR 37 Cb -0.01 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2k4x s TYR 37 CO 0.02 0.47 0.42 0.45 -1.57 0.00 0.00 175.55 175.35 2k4x s SER 38 N -2.95 -0.17 -0.35 2.29 0.15 0.25 -1.00 113.70 111.92 2k4x s SER 38 Ca 0.37 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.50 2k4x s SER 38 Cb -0.12 0.50 0.13 0.00 -1.71 0.00 0.00 66.02 64.83 2k4x s SER 38 CO 0.28 -0.94 0.20 0.00 1.20 0.00 0.00 173.24 173.98 2k4x n GLY 40 N 4.14 0.94 0.90 0.00 0.00 -1.26 -1.34 105.19 108.57 2k4x n GLY 40 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 7.88 0.00 0.00 1.61 3.00 -1.26 -4.94 116.66 122.96 2k4x n ARG 41 Ca 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 58.33 2k4x n ARG 41 Cb 0.44 0.00 -0.02 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 0.94 0.52 3.56 0.00 0.00 -0.45 -4.99 105.19 104.78 2k4x n GLY 43 Ca 0.02 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 1.89 -0.18 1.61 5.04 -1.24 -4.81 117.35 117.66 2k4x s TYR 44 Ca 0.00 0.62 -0.00 0.00 -2.44 0.00 0.00 57.07 55.25 2k4x s TYR 44 Cb 0.00 -4.21 0.05 0.00 0.35 0.00 0.00 41.96 38.15 2k4x s TYR 44 CO 0.00 -2.31 -0.05 0.99 -1.34 0.00 0.00 175.55 172.85 2k4x s THR 45 N 7.72 1.13 -0.01 4.34 2.01 -1.26 0.07 115.64 129.64 2k4x s THR 45 Ca 0.63 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2k4x s THR 45 Cb -0.13 -1.35 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 2k4x s THR 45 CO 0.23 0.07 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.47 2k4x s GLU 46 N 1.61 0.61 0.80 4.92 2.12 -0.17 -4.97 118.70 123.62 2k4x s GLU 46 Ca -0.00 -0.23 -0.12 0.00 0.36 0.00 0.00 54.97 54.97 2k4x s GLU 46 Cb -0.16 -0.59 0.08 0.00 0.26 0.00 0.00 34.13 33.72 2k4x s GLU 46 CO -0.07 0.12 1.16 -0.06 -0.54 0.00 0.00 175.26 175.86 2k4x s PHE 47 N -0.02 2.01 -0.75 5.30 0.08 -1.26 0.22 117.98 123.55 2k4x s PHE 47 Ca 0.01 1.67 -0.24 0.00 0.12 0.00 0.00 56.93 58.48 2k4x s PHE 47 Cb -0.04 -3.33 -0.16 0.00 -0.57 0.00 0.00 43.02 38.91 2k4x s PHE 47 CO -0.00 -2.49 2.43 1.63 -0.10 0.00 0.00 175.22 176.69 2k4x n LYS 48 N -3.43 0.54 -1.34 0.44 4.76 -1.06 -4.53 118.16 113.53 2k4x n LYS 48 Ca 0.12 -0.25 0.01 0.00 -2.87 0.00 0.00 58.31 55.32 2k4x n LYS 48 Cb 0.52 -2.77 0.10 0.00 -1.84 0.00 0.00 35.03 31.04 2k4x n LYS 48 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2k4x n LYS 49 N 8.31 1.18 -2.37 1.97 4.81 -1.26 -5.03 118.16 125.77 2k4x n LYS 49 Ca 0.50 -2.90 -0.41 0.00 -0.87 0.00 0.00 58.31 54.64 2k4x n LYS 49 Cb 0.35 -1.04 -0.04 0.00 0.02 0.00 0.00 35.03 34.32 2k4x n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4x s ALA 50 N -2.05 3.44 0.14 3.14 0.00 -1.26 -5.04 121.76 120.13 2k4x s ALA 50 Ca 0.37 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2k4x s ALA 50 Cb 0.38 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2k4x s ALA 50 CO -0.10 -0.34 0.30 0.15 0.00 0.00 0.00 175.76 175.77 2k4x s LYS 51 N -0.75 3.48 0.52 0.00 -0.14 -1.26 -5.10 119.74 116.49 2k4x s LYS 51 Ca 0.50 -0.43 -0.17 0.00 -1.36 0.00 0.00 55.97 54.52 2k4x s LYS 51 Cb -0.33 -2.94 -0.07 0.00 -1.68 0.00 0.00 37.83 32.80 2k4x s LYS 51 CO 0.40 0.51 0.99 0.21 -0.76 0.00 0.00 175.35 176.70 2k4x s LYS 52 N -2.98 3.88 0.12 1.68 2.36 -1.26 -4.97 119.74 118.58 2k4x s LYS 52 Ca 0.36 0.98 -0.33 0.00 -2.55 0.00 0.00 55.97 54.44 2k4x s LYS 52 Cb -0.12 -2.12 -0.12 0.00 -1.05 0.00 0.00 37.83 34.41 2k4x s LYS 52 CO 0.28 -0.33 1.71 -1.13 1.55 0.00 0.00 175.35 177.44 2k4x n SER 53 N -1.62 3.53 -4.86 1.43 3.41 -1.26 -4.97 113.62 109.29 2k4x n SER 53 Ca 0.07 1.04 -0.31 0.00 -0.26 0.00 0.00 58.87 59.41 2k4x n SER 53 Cb 0.54 -1.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.04 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 1.86 3.35 0.00 4.33 -2.85 -1.26 -5.10 119.74 120.07 2k4x s LYS 54 Ca 0.81 0.79 0.00 0.00 -1.00 0.00 0.00 55.97 56.57 2k4x s LYS 54 Cb -0.60 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.12 2k4x s LYS 54 CO 0.39 -0.76 0.00 -1.13 0.10 0.00 0.00 175.35 173.95