#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khk n ALA 2 N 0.00 0.25 -3.81 3.04 0.00 -1.26 -5.11 120.51 113.62 2khk n ALA 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2khk n ALA 2 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2khk n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khk s ALA 3 N -2.00 0.98 0.12 0.00 0.00 -1.26 -5.01 121.76 114.59 2khk s ALA 3 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2khk s ALA 3 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2khk s ALA 3 CO 0.00 -0.56 0.00 -0.89 0.00 0.00 0.00 175.76 174.31 2khk n ILE 4 N 5.06 0.89 -3.68 0.00 -0.00 -1.26 -5.07 119.36 115.30 2khk n ILE 4 Ca -0.09 0.30 -0.22 0.00 -0.00 0.00 0.00 62.75 62.74 2khk n ILE 4 Cb 0.49 -1.37 -0.18 0.00 -0.00 0.00 0.00 39.64 38.59 2khk n ILE 4 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2khk s GLU 5 N -2.00 0.09 -0.43 0.38 0.41 -1.26 -5.07 118.70 110.83 2khk s GLU 5 Ca 0.00 0.23 0.06 0.00 -0.41 0.00 0.00 54.97 54.85 2khk s GLU 5 Cb 0.00 -0.85 0.21 0.00 -1.78 0.00 0.00 34.13 31.72 2khk s GLU 5 CO 0.00 -0.39 0.46 1.63 -0.49 0.00 0.00 175.26 176.47 2khk n LYS 6 N 5.26 0.66 -3.68 1.61 5.02 -1.26 -5.08 118.16 120.70 2khk n LYS 6 Ca -0.05 -3.35 -0.39 0.00 -2.02 0.00 0.00 58.31 52.50 2khk n LYS 6 Cb 0.50 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 2khk n LYS 6 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2khk s ARG 7 N -0.77 2.61 -0.11 1.97 0.52 -1.26 -5.07 118.95 116.84 2khk s ARG 7 Ca 0.34 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 2khk s ARG 7 Cb 0.11 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 2khk s ARG 7 CO -0.14 -0.80 1.05 -0.65 0.02 0.00 0.00 175.30 174.78 2khk s GLN 8 N 1.42 4.39 -0.43 3.54 1.11 -1.26 -4.94 119.66 123.49 2khk s GLN 8 Ca 0.01 1.45 -0.30 0.00 0.01 0.00 0.00 55.36 56.54 2khk s GLN 8 Cb -0.21 -3.56 -0.09 0.00 -1.01 0.00 0.00 33.01 28.14 2khk s GLN 8 CO 0.03 -0.37 2.33 1.63 0.01 0.00 0.00 175.29 178.91 2khk n LYS 9 N 5.18 1.17 0.17 2.91 4.76 -1.26 -4.80 118.16 126.29 2khk n LYS 9 Ca 0.10 0.22 0.03 0.00 -2.87 0.00 0.00 58.31 55.78 2khk n LYS 9 Cb 0.48 -2.89 0.39 0.00 -1.84 0.00 0.00 35.03 31.17 2khk n LYS 9 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2khk h GLU 10 N 15.49 0.10 0.57 1.97 4.81 -2.00 -2.96 114.58 132.56 2khk h GLU 10 Ca -0.27 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2khk h GLU 10 Cb 1.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2khk h GLU 10 CO 1.09 0.35 -0.45 0.82 -0.73 0.00 0.00 179.01 180.09 2khk h ILE 11 N 0.09 0.10 -0.74 2.32 5.03 -1.99 -0.75 117.51 121.56 2khk h ILE 11 Ca 0.01 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.84 2khk h ILE 11 Cb 0.51 0.10 -0.07 0.00 -3.03 0.00 0.00 36.82 34.33 2khk h ILE 11 CO 0.04 0.00 0.40 0.00 -0.68 0.00 0.00 178.15 177.91 2khk h ALA 12 N -0.78 1.03 0.18 1.87 0.00 -1.95 0.14 119.26 119.75 2khk h ALA 12 Ca -0.07 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2khk h ALA 12 Cb 0.84 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2khk h ALA 12 CO 0.01 0.04 -0.29 0.22 0.00 0.00 0.00 179.25 179.22 2khk h ASP 13 N 0.70 -0.80 0.28 0.00 3.58 -1.33 -0.60 116.42 118.26 2khk h ASP 13 Ca 0.35 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.82 2khk h ASP 13 Cb 0.32 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2khk h ASP 13 CO -0.24 -0.39 -0.30 1.23 -2.88 0.00 0.00 179.24 176.66 2khk h GLY 14 N -0.54 0.04 0.79 -0.78 0.00 -0.74 0.53 103.07 102.36 2khk h GLY 14 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2khk h GLY 14 CO -0.13 0.03 -0.19 1.41 0.00 0.00 0.00 176.54 177.65 2khk h LEU 15 N 0.03 -0.46 -0.38 3.11 3.38 -0.13 0.79 115.31 121.64 2khk h LEU 15 Ca 0.00 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2khk h LEU 15 Cb 0.56 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2khk h LEU 15 CO 0.04 -0.17 -0.42 0.00 0.09 0.00 0.00 178.44 177.98 2khk h ALA 16 N -0.27 0.56 -0.81 1.53 0.00 -1.09 0.51 119.26 119.70 2khk h ALA 16 Ca -0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2khk h ALA 16 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2khk h ALA 16 CO 0.09 0.68 0.38 1.03 0.00 0.00 0.00 179.25 181.43 2khk h SER 17 N 0.73 1.07 0.54 0.00 0.87 -0.91 -1.06 113.55 114.79 2khk h SER 17 Ca 0.05 -0.14 -0.25 0.00 -1.23 0.00 0.00 61.79 60.22 2khk h SER 17 Cb 1.02 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2khk h SER 17 CO 0.10 0.91 -1.11 0.00 -0.53 0.00 0.00 176.83 176.20 2khk h ALA 18 N 1.20 0.22 0.13 6.23 0.00 -0.79 -3.08 119.26 123.18 2khk h ALA 18 Ca 0.28 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2khk h ALA 18 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2khk h ALA 18 CO -0.03 0.92 -0.06 1.49 0.00 0.00 0.00 179.25 181.57 2khk h GLU 19 N 0.12 -0.16 -0.51 0.00 4.81 -0.64 -0.99 114.58 117.21 2khk h GLU 19 Ca -0.11 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2khk h GLU 19 Cb 1.80 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 31.18 2khk h GLU 19 CO 0.18 0.00 0.28 0.00 -0.73 0.00 0.00 179.01 178.74 2khk h ARG 20 N -0.30 0.53 -0.17 1.92 2.47 -1.31 -0.26 114.38 117.26 2khk h ARG 20 Ca -0.02 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2khk h ARG 20 Cb 0.24 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2khk h ARG 20 CO 0.03 0.35 0.09 0.00 0.56 0.00 0.00 179.97 181.00 2khk h ALA 21 N 1.25 0.20 0.35 0.04 0.00 -1.43 -0.13 119.26 119.54 2khk h ALA 21 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2khk h ALA 21 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2khk h ALA 21 CO -0.13 -0.34 -0.17 1.25 0.00 0.00 0.00 179.25 179.86 2khk h HIS 22 N 0.19 -0.45 -0.45 0.00 -0.00 -0.82 0.36 115.15 113.98 2khk h HIS 22 Ca 0.07 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 2khk h HIS 22 Cb 0.01 0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 2khk h HIS 22 CO -0.09 -0.28 0.09 -0.22 -0.00 0.00 0.00 177.93 177.43 2khk h LYS 23 N -0.48 0.21 0.55 5.26 1.63 -0.94 0.21 116.57 123.02 2khk h LYS 23 Ca -0.05 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2khk h LYS 23 Cb 0.37 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.96 2khk h LYS 23 CO 0.07 0.14 -0.26 -0.44 -3.45 0.00 0.00 179.45 175.51 2khk h ASP 24 N 0.22 -0.63 -0.69 4.20 5.19 -0.84 0.02 116.42 123.90 2khk h ASP 24 Ca 0.22 0.02 0.09 0.00 -0.62 0.00 0.00 57.03 56.74 2khk h ASP 24 Cb 0.28 0.16 -0.07 0.00 0.18 0.00 0.00 39.33 39.89 2khk h ASP 24 CO -0.29 -0.45 0.35 -0.07 -3.12 0.00 0.00 179.24 175.66 2khk h LEU 25 N -0.74 0.46 0.77 1.55 4.07 -0.60 -0.11 115.31 120.70 2khk h LEU 25 Ca -0.08 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 2khk h LEU 25 Cb 0.57 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.29 2khk h LEU 25 CO 0.12 0.27 -0.37 -0.78 -1.08 0.00 0.00 178.44 176.60 2khk h ASP 26 N 0.60 -0.88 -0.98 -0.43 3.58 -0.39 -0.96 116.42 116.96 2khk h ASP 26 Ca 0.34 0.02 0.16 0.00 0.42 0.00 0.00 57.03 57.97 2khk h ASP 26 Cb 0.33 0.23 -0.09 0.00 1.72 0.00 0.00 39.33 41.52 2khk h ASP 26 CO -0.25 -0.61 0.62 -0.07 -2.88 0.00 0.00 179.24 176.04 2khk h LEU 27 N -1.06 0.80 0.86 2.28 -0.00 -0.70 -0.11 115.31 117.38 2khk h LEU 27 Ca -0.11 0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.80 2khk h LEU 27 Cb 0.80 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.38 2khk h LEU 27 CO 0.17 0.35 -0.41 0.00 -0.00 0.00 0.00 178.44 178.55 2khk h ALA 28 N 1.60 -1.16 -0.38 1.53 0.00 -0.78 0.90 119.26 120.98 2khk h ALA 28 Ca 0.53 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2khk h ALA 28 Cb 0.75 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2khk h ALA 28 CO -0.30 -1.08 -0.10 0.87 0.00 0.00 0.00 179.25 178.63 2khk h LYS 29 N -1.30 -0.01 -0.10 0.00 1.79 -0.74 0.13 116.57 116.34 2khk h LYS 29 Ca -0.12 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2khk h LYS 29 Cb 0.89 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 2khk h LYS 29 CO 0.19 -0.01 -0.01 0.00 -1.08 0.00 0.00 179.45 178.55 2khk h ALA 30 N 1.35 0.08 -0.90 3.86 0.00 -1.03 -1.11 119.26 121.51 2khk h ALA 30 Ca 0.18 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2khk h ALA 30 Cb 0.29 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2khk h ALA 30 CO -0.40 -0.47 0.55 1.03 0.00 0.00 0.00 179.25 179.96 2khk h SER 31 N 0.02 0.83 0.52 0.00 0.87 -0.15 -0.35 113.55 115.28 2khk h SER 31 Ca 0.05 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2khk h SER 31 Cb 0.06 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2khk h SER 31 CO -0.08 0.49 -0.25 0.00 -0.53 0.00 0.00 176.83 176.46 2khk h ALA 32 N 1.46 -0.70 -0.29 6.23 0.00 -0.52 -0.88 119.26 124.55 2khk h ALA 32 Ca 0.42 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2khk h ALA 32 Cb 0.31 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2khk h ALA 32 CO -0.22 -0.80 -0.11 1.79 0.00 0.00 0.00 179.25 179.91 2khk h THR 33 N -0.87 0.63 -0.13 0.00 1.35 -0.92 -0.77 112.91 112.20 2khk h THR 33 Ca -0.07 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.82 2khk h THR 33 Cb 0.60 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 2khk h THR 33 CO 0.12 0.00 -0.06 0.44 -0.25 0.00 0.00 175.52 175.77 2khk h ASP 34 N -0.06 -0.20 -0.50 5.36 3.32 -1.07 -0.78 116.42 122.49 2khk h ASP 34 Ca 0.15 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.33 2khk h ASP 34 Cb 0.28 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 2khk h ASP 34 CO -0.33 -0.08 0.12 -0.61 -1.72 0.00 0.00 179.24 176.61 2khk h GLN 35 N -0.05 0.25 0.74 3.56 -0.00 -0.61 0.63 115.11 119.63 2khk h GLN 35 Ca 0.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.67 2khk h GLN 35 Cb 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 27.48 27.58 2khk h GLN 35 CO -0.16 0.17 -0.36 1.25 0.00 0.00 0.00 178.83 179.73 2khk h LEU 36 N 0.26 -0.85 -0.91 -2.39 5.85 -0.72 0.39 115.31 116.93 2khk h LEU 36 Ca 0.25 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.16 2khk h LEU 36 Cb 0.33 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 2khk h LEU 36 CO -0.31 -0.61 0.51 0.50 -0.34 0.00 0.00 178.44 178.19 2khk h LYS 37 N -1.00 0.67 -0.57 1.25 1.63 -0.85 -0.01 116.57 117.68 2khk h LYS 37 Ca -0.10 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.57 2khk h LYS 37 Cb 0.77 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 2khk h LYS 37 CO 0.17 0.44 0.02 0.87 -3.45 0.00 0.00 179.45 177.50 2khk h LYS 38 N 0.69 0.99 0.45 1.90 1.57 -0.62 -0.85 116.57 120.70 2khk h LYS 38 Ca 0.51 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2khk h LYS 38 Cb 0.73 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2khk h LYS 38 CO -0.37 0.97 -0.22 0.00 -0.57 0.00 0.00 179.45 179.27 2khk h ALA 39 N 0.98 -0.61 -0.42 3.86 0.00 0.89 -0.99 119.26 122.98 2khk h ALA 39 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2khk h ALA 39 Cb 0.51 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2khk h ALA 39 CO 0.02 -0.83 0.27 1.57 0.00 0.00 0.00 179.25 180.29 2khk h LYS 40 N -0.64 0.56 -0.40 0.00 2.10 -1.21 -0.38 116.57 116.61 2khk h LYS 40 Ca -0.06 -0.04 0.06 0.00 -2.00 0.00 0.00 60.65 58.61 2khk h LYS 40 Cb 0.48 -0.12 -0.06 0.00 -0.90 0.00 0.00 32.23 31.63 2khk h LYS 40 CO 0.10 0.38 0.06 0.00 -2.00 0.00 0.00 179.45 177.99 2khk h ALA 41 N 1.14 0.42 -0.35 0.07 0.00 -1.05 0.29 119.26 119.78 2khk h ALA 41 Ca 0.15 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2khk h ALA 41 Cb -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2khk h ALA 41 CO -0.03 -0.34 -0.15 1.49 0.00 0.00 0.00 179.25 180.22 2khk h GLU 42 N 0.18 0.63 -0.62 0.00 4.57 -0.90 -2.27 114.58 116.17 2khk h GLU 42 Ca 0.19 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2khk h GLU 42 Cb 0.24 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2khk h GLU 42 CO -0.27 0.76 0.00 0.00 -1.18 0.00 0.00 179.01 178.32 2khk n ALA 43 N -2.49 2.92 0.24 2.92 0.00 -0.17 -4.26 120.51 119.67 2khk n ALA 43 Ca 0.01 -0.93 0.15 0.00 0.00 0.00 0.00 53.44 52.67 2khk n ALA 43 Cb 0.37 -1.03 0.82 0.00 0.00 0.00 0.00 19.45 19.61 2khk n ALA 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2khk h GLN 44 N 2.32 0.00 -0.64 0.00 3.07 0.17 -1.35 115.11 118.68 2khk h GLN 44 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 58.65 58.89 2khk h GLN 44 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.53 2khk h GLN 44 CO 0.16 0.00 0.44 -0.24 0.09 0.00 0.00 178.83 179.28 2khk h VAL 45 N 0.00 0.77 -3.79 1.86 3.04 -1.82 -3.40 116.25 112.91 2khk h VAL 45 Ca 0.05 -0.07 -0.68 0.00 -1.01 0.00 0.00 66.70 64.99 2khk h VAL 45 Cb 0.25 0.54 -0.25 0.00 -2.01 0.00 0.00 31.29 29.82 2khk h VAL 45 CO -0.00 0.04 -0.78 -0.51 -1.01 0.00 0.00 177.57 175.31 2khk s ILE 46 N -5.21 2.95 0.39 3.17 1.10 -0.51 -5.11 121.20 117.98 2khk s ILE 46 Ca -0.06 -0.74 -0.26 0.00 -0.51 0.00 0.00 60.65 59.08 2khk s ILE 46 Cb 0.20 -2.18 -0.09 0.00 0.15 0.00 0.00 42.46 40.55 2khk s ILE 46 CO 0.75 0.57 1.16 -0.51 -2.11 0.00 0.00 174.94 174.80 2khk s ILE 47 N -0.30 3.19 -0.23 2.00 1.10 -1.26 -4.96 121.20 120.73 2khk s ILE 47 Ca 0.02 1.02 -0.08 0.00 -0.51 0.00 0.00 60.65 61.10 2khk s ILE 47 Cb -0.13 -3.58 0.10 0.00 0.15 0.00 0.00 42.46 39.01 2khk s ILE 47 CO 0.03 0.11 0.50 -1.83 -2.11 0.00 0.00 174.94 171.63 2khk s GLU 48 N -2.22 0.41 0.16 3.50 -1.05 -1.26 -5.15 118.70 113.08 2khk s GLU 48 Ca 0.56 1.18 0.10 0.00 -0.15 0.00 0.00 54.97 56.66 2khk s GLU 48 Cb -0.31 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 2khk s GLU 48 CO 0.39 -0.23 -0.23 -0.65 0.95 0.00 0.00 175.26 175.48 2khk s GLN 49 N 2.71 1.38 1.17 -4.83 -0.21 -1.26 -5.14 119.66 113.47 2khk s GLN 49 Ca -0.03 -1.40 -0.18 0.00 0.02 0.00 0.00 55.36 53.77 2khk s GLN 49 Cb -0.12 -1.69 0.27 0.00 1.00 0.00 0.00 33.01 32.47 2khk s GLN 49 CO -0.15 0.38 1.12 0.00 -2.12 0.00 0.00 175.29 174.52 2khk s ALA 50 N -1.50 0.75 -0.05 6.09 0.00 -1.26 -5.07 121.76 120.72 2khk s ALA 50 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2khk s ALA 50 Cb -0.08 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.16 2khk s ALA 50 CO 0.07 -3.44 -0.03 0.54 0.00 0.00 0.00 175.76 172.90 2khk s ASN 51 N -3.92 1.12 0.24 0.00 2.20 -1.26 -5.14 114.94 108.17 2khk s ASN 51 Ca 0.71 -0.12 -0.04 0.00 -0.94 0.00 0.00 52.86 52.47 2khk s ASN 51 Cb -0.10 -0.45 -0.02 0.00 -2.00 0.00 0.00 41.25 38.68 2khk s ASN 51 CO 0.56 -0.09 0.28 -1.59 -2.94 0.00 0.00 177.10 173.31 2khk s LYS 52 N 1.21 1.42 0.00 3.55 -2.85 -1.26 -5.39 119.74 116.42 2khk s LYS 52 Ca -0.06 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 53.34 2khk s LYS 52 Cb -0.14 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 2khk s LYS 52 CO -0.02 -0.52 0.00 0.54 0.10 0.00 0.00 175.35 175.45