#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khk s ALA 2 N 0.00 2.82 0.28 3.17 0.00 -1.26 -5.10 121.76 121.67 2khk s ALA 2 Ca 0.00 -2.73 -0.30 0.00 0.00 0.00 0.00 51.96 48.94 2khk s ALA 2 Cb 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 23.12 20.99 2khk s ALA 2 CO 0.00 -1.85 1.31 0.00 0.00 0.00 0.00 175.76 175.22 2khk n ALA 3 N 3.81 0.96 0.07 0.00 0.00 -1.26 -4.93 120.51 119.16 2khk n ALA 3 Ca 0.04 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 2khk n ALA 3 Cb 0.37 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 2khk n ALA 3 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2khk h ILE 4 N 2.74 0.92 -3.58 0.00 2.04 -2.08 -3.45 117.51 114.10 2khk h ILE 4 Ca -0.45 -1.00 -0.67 0.00 1.00 0.00 0.00 64.86 63.74 2khk h ILE 4 Cb 1.29 1.48 -0.16 0.00 -0.74 0.00 0.00 36.82 38.68 2khk h ILE 4 CO 0.69 0.21 -0.73 -1.61 0.00 0.00 0.00 178.15 176.71 2khk s GLU 5 N -3.91 2.23 -0.10 2.37 2.02 -1.26 -5.13 118.70 114.92 2khk s GLU 5 Ca -0.14 -0.96 -0.16 0.00 0.02 0.00 0.00 54.97 53.73 2khk s GLU 5 Cb 0.01 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.93 2khk s GLU 5 CO 0.54 0.53 0.41 -1.59 0.02 0.00 0.00 175.26 175.16 2khk s LYS 6 N -2.03 0.61 -0.14 1.61 -2.85 -1.26 -5.05 119.74 110.63 2khk s LYS 6 Ca 0.21 0.28 0.18 0.00 -1.00 0.00 0.00 55.97 55.64 2khk s LYS 6 Cb -0.11 0.29 -0.26 0.00 -2.06 0.00 0.00 37.83 35.68 2khk s LYS 6 CO 0.12 -0.13 0.23 -2.13 0.10 0.00 0.00 175.35 173.55 2khk n ARG 7 N 2.11 0.68 0.00 1.78 3.00 -1.26 -5.01 116.66 117.95 2khk n ARG 7 Ca -0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 2khk n ARG 7 Cb 0.57 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.47 2khk n ARG 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2khk n GLN 8 N -2.67 0.00 0.00 -0.14 6.02 -1.26 -4.96 117.38 114.36 2khk n GLN 8 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2khk n GLN 8 Cb 1.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.27 2khk n GLN 8 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2khk n LYS 9 N -1.45 0.00 0.24 -1.09 4.76 -1.26 -4.96 118.16 114.40 2khk n LYS 9 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2khk n LYS 9 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 2khk n LYS 9 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2khk h GLU 10 N 0.00 -0.64 -0.89 1.97 5.08 -2.00 -2.54 114.58 115.56 2khk h GLU 10 Ca 0.00 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.62 2khk h GLU 10 Cb 0.00 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2khk h GLU 10 CO 0.00 -0.43 0.60 -0.84 -1.00 0.00 0.00 179.01 177.34 2khk h ILE 11 N -1.15 0.65 0.50 3.13 3.07 -1.97 -0.97 117.51 120.76 2khk h ILE 11 Ca -0.07 -0.11 -0.02 0.00 1.55 0.00 0.00 64.86 66.21 2khk h ILE 11 Cb 0.51 0.30 0.00 0.00 -0.27 0.00 0.00 36.82 37.37 2khk h ILE 11 CO 0.11 0.06 -0.24 0.00 -1.05 0.00 0.00 178.15 177.03 2khk h ALA 12 N 1.61 -0.67 -0.64 0.16 0.00 -1.93 0.21 119.26 118.01 2khk h ALA 12 Ca 0.46 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2khk h ALA 12 Cb 1.26 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 2khk h ALA 12 CO -0.15 -0.76 0.32 0.22 0.00 0.00 0.00 179.25 178.89 2khk h ASP 13 N -0.90 0.44 0.42 0.00 1.82 -0.89 -0.88 116.42 116.43 2khk h ASP 13 Ca -0.07 0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 2khk h ASP 13 Cb 0.60 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2khk h ASP 13 CO 0.11 0.28 -0.49 1.23 -1.61 0.00 0.00 179.24 178.76 2khk h GLY 14 N 0.58 0.09 0.63 -0.78 0.00 -1.19 -0.25 103.07 102.15 2khk h GLY 14 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2khk h GLY 14 CO -0.22 0.09 -0.01 1.41 0.00 0.00 0.00 176.54 177.81 2khk h LEU 15 N 0.07 0.06 -0.40 3.11 3.38 0.43 0.16 115.31 122.13 2khk h LEU 15 Ca 0.00 -0.40 -0.18 0.00 0.09 0.00 0.00 57.88 57.39 2khk h LEU 15 Cb 0.90 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2khk h LEU 15 CO 0.07 0.45 -0.56 0.00 0.09 0.00 0.00 178.44 178.49 2khk h ALA 16 N 0.61 0.57 -0.54 1.53 0.00 -1.20 0.16 119.26 120.39 2khk h ALA 16 Ca 0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2khk h ALA 16 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2khk h ALA 16 CO 0.00 0.69 -0.09 0.77 0.00 0.00 0.00 179.25 180.62 2khk h SER 17 N 0.55 1.00 0.54 0.00 0.02 -1.06 -0.72 113.55 113.88 2khk h SER 17 Ca 0.01 -0.32 -0.28 0.00 -0.84 0.00 0.00 61.79 60.36 2khk h SER 17 Cb 1.14 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.42 2khk h SER 17 CO 0.11 1.10 -1.24 0.00 -1.14 0.00 0.00 176.83 175.66 2khk h ALA 18 N 0.99 0.09 0.12 3.77 0.00 -0.93 -3.14 119.26 120.14 2khk h ALA 18 Ca 0.14 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2khk h ALA 18 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2khk h ALA 18 CO 0.04 0.91 -0.06 1.49 0.00 0.00 0.00 179.25 181.64 2khk h GLU 19 N 0.11 -0.15 -0.68 0.00 4.81 -0.61 -0.72 114.58 117.34 2khk h GLU 19 Ca -0.15 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.19 2khk h GLU 19 Cb 1.95 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 31.30 2khk h GLU 19 CO 0.21 0.15 0.31 -0.09 -0.73 0.00 0.00 179.01 178.86 2khk h ARG 20 N -0.45 0.51 -0.05 1.92 2.43 -1.25 0.11 114.38 117.59 2khk h ARG 20 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2khk h ARG 20 Cb 0.37 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2khk h ARG 20 CO 0.03 0.34 0.01 0.00 -1.51 0.00 0.00 179.97 178.83 2khk h ALA 21 N 1.43 0.07 0.11 2.80 0.00 -1.49 -0.77 119.26 121.41 2khk h ALA 21 Ca 0.34 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2khk h ALA 21 Cb 0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2khk h ALA 21 CO -0.29 -0.29 -0.18 0.45 0.00 0.00 0.00 179.25 178.94 2khk h HIS 22 N -0.16 -0.47 -0.14 0.00 3.86 -0.59 0.60 115.15 118.25 2khk h HIS 22 Ca 0.02 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2khk h HIS 22 Cb 0.27 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2khk h HIS 22 CO 0.01 -0.27 -0.02 -0.22 0.86 0.00 0.00 177.93 178.30 2khk h LYS 23 N -0.36 0.02 0.00 2.45 1.63 -0.81 0.14 116.57 119.65 2khk h LYS 23 Ca 0.02 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2khk h LYS 23 Cb 0.37 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 2khk h LYS 23 CO -0.09 0.02 -0.19 0.22 -3.45 0.00 0.00 179.45 175.95 2khk h ASP 24 N 0.03 -0.56 -0.06 4.20 3.58 -0.90 -0.28 116.42 122.43 2khk h ASP 24 Ca 0.06 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.61 2khk h ASP 24 Cb 0.09 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2khk h ASP 24 CO -0.12 -0.26 -0.02 0.25 -2.88 0.00 0.00 179.24 176.21 2khk h LEU 25 N -0.31 -0.06 -0.34 2.28 5.85 -0.66 -0.94 115.31 121.14 2khk h LEU 25 Ca 0.06 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2khk h LEU 25 Cb 0.38 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 2khk h LEU 25 CO -0.18 -0.02 -0.13 -0.78 -0.34 0.00 0.00 178.44 176.99 2khk h ASP 26 N -0.00 -0.46 -0.35 1.25 1.82 -0.44 -0.52 116.42 117.72 2khk h ASP 26 Ca 0.03 0.12 0.02 0.00 -0.39 0.00 0.00 57.03 56.80 2khk h ASP 26 Cb 0.05 0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 2khk h ASP 26 CO -0.06 -0.17 0.20 -0.07 -1.61 0.00 0.00 179.24 177.53 2khk h LEU 27 N -0.07 0.32 -0.00 2.28 -0.00 -0.81 -0.63 115.31 116.41 2khk h LEU 27 Ca 0.17 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2khk h LEU 27 Cb 0.32 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 40.88 2khk h LEU 27 CO -0.39 0.23 -0.23 0.00 -0.00 0.00 0.00 178.44 178.05 2khk h ALA 28 N 1.16 -0.30 -0.25 1.53 0.00 -0.38 0.15 119.26 121.18 2khk h ALA 28 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2khk h ALA 28 Cb 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2khk h ALA 28 CO -0.07 -0.73 0.10 0.87 0.00 0.00 0.00 179.25 179.42 2khk h LYS 29 N -0.36 0.22 -0.72 0.00 1.79 -0.92 -0.64 116.57 115.93 2khk h LYS 29 Ca 0.06 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.57 2khk h LYS 29 Cb 0.45 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 2khk h LYS 29 CO -0.21 0.14 0.43 0.00 -1.08 0.00 0.00 179.45 178.73 2khk h ALA 30 N 1.15 0.96 0.03 3.86 0.00 -0.74 0.15 119.26 124.66 2khk h ALA 30 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2khk h ALA 30 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2khk h ALA 30 CO -0.10 0.15 -0.01 1.03 0.00 0.00 0.00 179.25 180.32 2khk h SER 31 N 0.80 -0.03 -0.47 0.00 0.87 -0.24 -0.15 113.55 114.33 2khk h SER 31 Ca 0.31 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2khk h SER 31 Cb 0.13 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2khk h SER 31 CO -0.16 0.14 0.26 0.00 -0.53 0.00 0.00 176.83 176.54 2khk h ALA 32 N 0.78 0.59 -0.23 6.23 0.00 -0.81 -1.04 119.26 124.78 2khk h ALA 32 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2khk h ALA 32 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2khk h ALA 32 CO 0.01 -0.07 0.11 1.15 0.00 0.00 0.00 179.25 180.45 2khk h THR 33 N 0.52 1.14 -0.37 0.00 2.02 -0.87 -1.01 112.91 114.33 2khk h THR 33 Ca 0.19 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 67.02 2khk h THR 33 Cb 0.05 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2khk h THR 33 CO -0.11 0.14 0.14 -0.78 0.37 0.00 0.00 175.52 175.28 2khk h ASP 34 N 0.24 0.16 0.37 4.18 3.58 -0.73 -0.09 116.42 124.14 2khk h ASP 34 Ca 0.08 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2khk h ASP 34 Cb 0.11 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2khk h ASP 34 CO -0.01 0.13 -0.18 1.56 -2.88 0.00 0.00 179.24 177.86 2khk h GLN 35 N 0.30 -0.48 -0.52 0.28 4.20 -1.04 0.50 115.11 118.35 2khk h GLN 35 Ca 0.17 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.00 2khk h GLN 35 Cb 0.13 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 2khk h GLN 35 CO -0.16 -0.29 0.09 1.25 -0.67 0.00 0.00 178.83 179.05 2khk h LEU 36 N -0.55 -0.02 -0.18 1.46 5.85 -0.98 0.15 115.31 121.04 2khk h LEU 36 Ca -0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2khk h LEU 36 Cb 0.41 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2khk h LEU 36 CO 0.08 0.02 0.09 0.50 -0.34 0.00 0.00 178.44 178.79 2khk h LYS 37 N 0.23 0.25 0.17 1.25 1.63 -0.87 -0.93 116.57 118.30 2khk h LYS 37 Ca 0.26 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 2khk h LYS 37 Cb 0.36 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 2khk h LYS 37 CO -0.35 0.27 -0.30 0.87 -3.45 0.00 0.00 179.45 176.50 2khk h LYS 38 N 0.17 -0.53 -0.25 1.90 1.57 -0.19 0.12 116.57 119.37 2khk h LYS 38 Ca 0.06 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2khk h LYS 38 Cb 0.10 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2khk h LYS 38 CO -0.01 -0.35 -0.03 0.00 -0.57 0.00 0.00 179.45 178.49 2khk h ALA 39 N 0.10 0.19 0.51 3.86 0.00 -0.94 0.83 119.26 123.81 2khk h ALA 39 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2khk h ALA 39 Cb 0.55 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2khk h ALA 39 CO -0.14 -0.45 -0.44 0.87 0.00 0.00 0.00 179.25 179.10 2khk h LYS 40 N 0.04 -0.91 -0.60 0.00 1.57 -0.87 0.13 116.57 115.93 2khk h LYS 40 Ca 0.12 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.06 2khk h LYS 40 Cb 0.17 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 2khk h LYS 40 CO -0.22 -0.61 0.18 0.00 -0.57 0.00 0.00 179.45 178.23 2khk h ALA 41 N -0.69 0.75 -0.64 3.86 0.00 -0.59 0.19 119.26 122.14 2khk h ALA 41 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2khk h ALA 41 Cb 0.81 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2khk h ALA 41 CO -0.02 -0.25 0.34 1.49 0.00 0.00 0.00 179.25 180.81 2khk h GLU 42 N 0.34 0.89 -0.63 0.00 4.57 -0.53 -1.20 114.58 118.02 2khk h GLU 42 Ca 0.31 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2khk h GLU 42 Cb 0.42 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2khk h GLU 42 CO -0.35 0.66 0.00 0.00 -1.18 0.00 0.00 179.01 178.14 2khk n ALA 43 N -2.44 3.03 0.01 2.92 0.00 0.42 -4.21 120.51 120.25 2khk n ALA 43 Ca 0.06 -1.17 -0.15 0.00 0.00 0.00 0.00 53.44 52.18 2khk n ALA 43 Cb 0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 2khk n ALA 43 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2khk h GLN 44 N 2.94 0.64 0.22 0.00 4.15 0.60 -3.31 115.11 120.34 2khk h GLN 44 Ca 0.00 -0.54 -0.35 0.00 0.77 0.00 0.00 58.65 58.53 2khk h GLN 44 Cb 1.19 0.12 0.02 0.00 0.21 0.00 0.00 27.48 29.02 2khk h GLN 44 CO 0.20 1.16 -1.64 0.28 -1.93 0.00 0.00 178.83 176.91 2khk h VAL 45 N 0.43 1.09 -4.42 2.39 2.07 -1.74 -3.46 116.25 112.62 2khk h VAL 45 Ca -0.05 -2.60 -0.70 0.00 0.82 0.00 0.00 66.70 64.17 2khk h VAL 45 Cb 1.41 2.89 -0.28 0.00 -1.52 0.00 0.00 31.29 33.79 2khk h VAL 45 CO 0.15 0.84 -0.87 -0.63 0.02 0.00 0.00 177.57 177.08 2khk s ILE 46 N -2.59 2.20 0.44 4.57 1.09 -1.25 -5.12 121.20 120.54 2khk s ILE 46 Ca -0.13 -1.20 -0.24 0.00 -1.10 0.00 0.00 60.65 57.98 2khk s ILE 46 Cb 0.05 -1.81 -0.08 0.00 -1.06 0.00 0.00 42.46 39.56 2khk s ILE 46 CO 0.90 0.48 1.22 0.27 -0.10 0.00 0.00 174.94 177.71 2khk s ILE 47 N -0.71 2.89 -0.34 2.92 -5.25 -1.26 -4.43 121.20 115.02 2khk s ILE 47 Ca 0.11 0.72 -0.07 0.00 -0.99 0.00 0.00 60.65 60.42 2khk s ILE 47 Cb -0.10 -3.39 0.20 0.00 2.95 0.00 0.00 42.46 42.11 2khk s ILE 47 CO 0.01 0.04 1.03 -0.70 -1.79 0.00 0.00 174.94 173.53 2khk s GLU 48 N -2.48 0.25 -1.20 0.37 2.12 -1.26 -5.06 118.70 111.43 2khk s GLU 48 Ca 0.61 -0.15 -0.17 0.00 0.36 0.00 0.00 54.97 55.62 2khk s GLU 48 Cb -0.33 0.01 0.12 0.00 0.26 0.00 0.00 34.13 34.19 2khk s GLU 48 CO 0.41 -0.34 1.53 -0.65 -0.54 0.00 0.00 175.26 175.67 2khk s GLN 49 N 1.61 3.96 -0.13 4.30 -0.21 -1.26 -4.91 119.66 123.03 2khk s GLN 49 Ca 0.18 -2.14 -0.05 0.00 0.02 0.00 0.00 55.36 53.36 2khk s GLN 49 Cb 0.06 -5.27 0.06 0.00 1.00 0.00 0.00 33.01 28.86 2khk s GLN 49 CO -0.13 -2.01 0.28 0.00 -2.12 0.00 0.00 175.29 171.31 2khk s ALA 50 N 3.05 -0.63 -0.30 6.09 0.00 -1.26 -5.12 121.76 123.59 2khk s ALA 50 Ca 0.47 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2khk s ALA 50 Cb -0.00 -0.85 0.14 0.00 0.00 0.00 0.00 23.12 22.41 2khk s ALA 50 CO 0.01 -0.41 0.33 0.54 0.00 0.00 0.00 175.76 176.23 2khk s ASN 51 N 1.82 1.38 -0.02 0.00 2.20 -1.26 -5.10 114.94 113.95 2khk s ASN 51 Ca -0.05 -0.77 -0.22 0.00 -0.94 0.00 0.00 52.86 50.88 2khk s ASN 51 Cb -0.11 0.63 -0.05 0.00 -2.00 0.00 0.00 41.25 39.72 2khk s ASN 51 CO -0.09 -0.37 0.66 -0.75 -2.94 0.00 0.00 177.10 173.61 2khk s LYS 52 N 2.30 4.40 0.00 3.55 2.20 -1.26 -5.29 119.74 125.64 2khk s LYS 52 Ca 0.10 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 2khk s LYS 52 Cb -0.14 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2khk s LYS 52 CO -0.29 0.23 0.00 -2.13 -0.36 0.00 0.00 175.35 172.80