#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hx2 n PHE 2 N 0.00 0.00 -3.73 1.20 -1.74 -1.26 -5.09 117.46 106.85 1hx2 n PHE 2 Ca 0.00 -0.02 -0.37 0.00 -0.56 0.00 0.00 57.45 56.49 1hx2 n PHE 2 Cb 0.00 -0.00 -0.06 0.00 1.52 0.00 0.00 39.48 40.94 1hx2 n PHE 2 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1hx2 s VAL 3 N 0.00 5.33 0.15 1.97 1.01 -1.26 -4.74 120.40 122.86 1hx2 s VAL 3 Ca 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1hx2 s VAL 3 Cb 0.02 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1hx2 s VAL 3 CO -0.01 0.59 0.20 0.00 0.00 0.00 0.00 175.10 175.88 1hx2 s PRO 5 N -3.99 -0.89 0.19 0.00 0.02 -1.25 -4.80 135.00 124.27 1hx2 s PRO 5 Ca 0.19 0.04 -0.20 0.00 0.02 0.00 0.00 61.00 61.05 1hx2 s PRO 5 Cb 0.05 -1.63 0.13 0.00 0.02 0.00 0.00 34.50 33.07 1hx2 s PRO 5 CO 0.00 -3.51 1.59 -1.00 -0.33 0.00 0.00 177.00 173.76 1hx2 h PRO 6 N -2.44 -0.15 0.00 5.54 0.13 -2.01 -1.22 132.00 131.84 1hx2 h PRO 6 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hx2 h PRO 6 Cb 1.30 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1hx2 h PRO 6 CO 0.39 -0.10 0.14 0.78 -0.23 0.00 0.00 178.00 178.97 1hx2 h GLY 7 N -0.16 0.00 -5.43 1.56 0.00 -1.85 -3.42 103.07 93.77 1hx2 h GLY 7 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 47.11 1hx2 h GLY 7 CO -0.64 0.00 -0.80 1.20 0.00 0.00 0.00 176.54 176.30 1hx2 s GLN 8 N -4.11 1.11 0.29 4.80 -0.21 -0.46 -3.16 119.66 117.91 1hx2 s GLN 8 Ca -0.04 -0.38 0.05 0.00 0.02 0.00 0.00 55.36 55.01 1hx2 s GLN 8 Cb 0.11 -1.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.08 1hx2 s GLN 8 CO 0.35 0.16 0.18 0.25 -2.12 0.00 0.00 175.29 174.11 1hx2 n THR 9 N 3.18 0.00 -1.67 -0.19 -2.24 -0.18 -3.91 114.28 109.27 1hx2 n THR 9 Ca -0.17 -1.94 -0.45 0.00 -2.27 0.00 0.00 64.05 59.22 1hx2 n THR 9 Cb 0.54 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1hx2 n THR 9 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1hx2 n PHE 10 N -0.61 2.45 -3.79 4.78 -0.00 -1.26 -0.96 117.46 118.07 1hx2 n PHE 10 Ca 0.02 -0.18 -0.21 0.00 -0.00 0.00 0.00 57.45 57.07 1hx2 n PHE 10 Cb 0.49 -2.73 -0.04 0.00 -0.00 0.00 0.00 39.48 37.20 1hx2 n PHE 10 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1hx2 s GLN 11 N 3.96 2.62 -0.19 -4.13 2.00 0.65 -4.88 119.66 119.70 1hx2 s GLN 11 Ca 0.89 -1.40 0.10 0.00 -2.00 0.00 0.00 55.36 52.95 1hx2 s GLN 11 Cb -0.55 -2.40 -0.19 0.00 0.80 0.00 0.00 33.01 30.67 1hx2 s GLN 11 CO 0.45 0.01 -0.04 -2.37 -0.50 0.00 0.00 175.29 172.85 1hx2 n THR 12 N -1.39 1.21 -3.52 -0.34 5.66 -1.26 -1.11 114.28 113.53 1hx2 n THR 12 Ca -0.01 -0.63 -0.26 0.00 -3.05 0.00 0.00 64.05 60.10 1hx2 n THR 12 Cb 0.61 -0.82 -0.14 0.00 -1.55 0.00 0.00 70.33 68.42 1hx2 n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hx2 s ALA 14 N 2.16 -1.97 0.00 0.00 0.00 -0.70 -4.35 121.76 116.91 1hx2 s ALA 14 Ca 0.08 2.38 0.00 0.00 0.00 0.00 0.00 51.96 54.42 1hx2 s ALA 14 Cb -0.16 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1hx2 s ALA 14 CO -0.31 -0.43 0.00 0.45 0.00 0.00 0.00 175.76 175.47 1hx2 n SER 15 N 4.34 0.00 -0.46 0.00 2.88 0.36 -1.31 113.62 119.43 1hx2 n SER 15 Ca -0.19 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1hx2 n SER 15 Cb 0.58 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.19 1hx2 n SER 15 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1hx2 n SER 16 N 0.00 1.76 -4.18 -3.46 2.88 -1.26 -4.79 113.62 104.58 1hx2 n SER 16 Ca 0.00 -3.26 -0.39 0.00 -1.33 0.00 0.00 58.87 53.89 1hx2 n SER 16 Cb 0.00 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.98 1hx2 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hx2 n PRO 18 N 2.38 1.20 -3.12 0.00 -0.04 -1.22 -4.12 135.00 130.07 1hx2 n PRO 18 Ca 0.23 0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 63.69 1hx2 n PRO 18 Cb 0.38 -1.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 1hx2 n PRO 18 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1hx2 s LYS 19 N -0.84 3.43 0.46 0.54 2.20 0.30 -4.91 119.74 120.92 1hx2 s LYS 19 Ca 0.67 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 1hx2 s LYS 19 Cb -0.80 -3.90 0.01 0.00 -1.51 0.00 0.00 37.83 31.64 1hx2 s LYS 19 CO 0.55 -0.90 0.10 0.25 -0.36 0.00 0.00 175.35 174.99 1hx2 n THR 20 N 5.74 0.00 0.31 3.43 -2.24 -1.26 -0.80 114.28 119.46 1hx2 n THR 20 Ca -0.02 -2.07 0.19 0.00 -2.27 0.00 0.00 64.05 59.89 1hx2 n THR 20 Cb 0.48 0.29 1.05 0.00 -2.10 0.00 0.00 70.33 70.04 1hx2 n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hx2 h GLU 22 N 0.00 0.33 0.00 0.00 4.81 -1.89 -3.39 114.58 114.44 1hx2 h GLU 22 Ca 0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1hx2 h GLU 22 Cb 0.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1hx2 h GLU 22 CO -0.00 0.51 0.00 0.25 -0.73 0.00 0.00 179.01 179.04 1hx2 n THR 23 N -4.73 0.00 0.00 0.32 -2.24 0.25 -4.89 114.28 102.99 1hx2 n THR 23 Ca -0.04 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hx2 n THR 23 Cb 0.21 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1hx2 n THR 23 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hx2 n ARG 24 N -0.67 0.00 -0.02 -0.78 1.74 -0.75 -4.79 116.66 111.38 1hx2 n ARG 24 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1hx2 n ARG 24 Cb 0.00 -3.09 -0.05 0.00 -1.02 0.00 0.00 32.46 28.31 1hx2 n ARG 24 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1hx2 h ASN 25 N 0.00 0.17 -4.18 0.55 -0.26 -1.90 -3.45 115.58 106.52 1hx2 h ASN 25 Ca 0.00 -0.07 -0.25 0.00 -0.56 0.00 0.00 56.30 55.43 1hx2 h ASN 25 Cb 0.00 -0.04 0.06 0.00 -1.06 0.00 0.00 38.32 37.27 1hx2 h ASN 25 CO 0.00 0.19 0.10 0.29 -1.06 0.00 0.00 177.43 176.95 1hx2 n LYS 26 N -4.95 0.03 -1.72 0.81 4.01 -1.26 -5.03 118.16 110.05 1hx2 n LYS 26 Ca -0.05 -1.40 -0.02 0.00 -0.51 0.00 0.00 58.31 56.34 1hx2 n LYS 26 Cb 0.06 -0.44 0.07 0.00 -0.51 0.00 0.00 35.03 34.21 1hx2 n LYS 26 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1hx2 n LEU 27 N 0.00 2.32 -3.54 -0.35 4.32 -1.26 -4.85 117.00 113.64 1hx2 n LEU 27 Ca 0.09 -3.25 -0.14 0.00 -0.02 0.00 0.00 56.01 52.68 1hx2 n LEU 27 Cb 0.32 -0.08 -0.05 0.00 -1.62 0.00 0.00 43.42 42.00 1hx2 n LEU 27 CO 0.22 1.17 0.33 0.68 -1.22 0.00 0.00 177.39 178.56 1hx2 s VAL 28 N -2.63 0.02 0.55 4.08 -7.23 -1.26 -4.08 120.40 109.85 1hx2 s VAL 28 Ca 0.37 -0.16 0.37 0.00 -1.81 0.00 0.00 61.98 60.75 1hx2 s VAL 28 Cb 0.37 -0.98 0.55 0.00 0.56 0.00 0.00 36.38 36.88 1hx2 s VAL 28 CO -0.07 -0.09 1.76 0.25 -0.31 0.00 0.00 175.10 176.65 1hx2 h LEU 29 N 2.68 0.00 -7.29 1.32 5.85 -1.82 -3.41 115.31 112.65 1hx2 h LEU 29 Ca -0.31 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.60 1hx2 h LEU 29 Cb 1.22 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.12 1hx2 h LEU 29 CO 0.40 0.00 0.58 0.00 -0.34 0.00 0.00 178.44 179.08 1hx2 n ASP 31 N -0.35 4.09 -0.23 0.00 5.75 -1.26 -3.81 116.55 120.73 1hx2 n ASP 31 Ca -0.07 0.00 0.32 0.00 -0.01 0.00 0.00 54.79 55.03 1hx2 n ASP 31 Cb 0.61 0.50 0.69 0.00 -1.03 0.00 0.00 41.12 41.89 1hx2 n ASP 31 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1hx2 h LYS 32 N 0.00 0.00 -3.13 0.11 1.79 -1.94 -3.42 116.57 109.97 1hx2 h LYS 32 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1hx2 h LYS 32 Cb 0.64 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.16 1hx2 h LYS 32 CO 0.00 0.00 0.11 0.21 -1.08 0.00 0.00 179.45 178.69 1hx2 s LYS 33 N -4.74 1.21 -0.92 3.15 2.47 -1.26 -4.91 119.74 114.75 1hx2 s LYS 33 Ca -0.04 -0.56 -0.02 0.00 -1.56 0.00 0.00 55.97 53.79 1hx2 s LYS 33 Cb 0.19 0.55 0.25 0.00 -1.46 0.00 0.00 37.83 37.36 1hx2 s LYS 33 CO 0.67 -0.51 0.94 0.00 0.16 0.00 0.00 175.35 176.61 1hx2 s ASN 35 N -0.64 6.34 -0.94 0.00 0.01 -0.43 -4.55 114.94 114.73 1hx2 s ASN 35 Ca 0.30 -0.38 -0.24 0.00 -0.71 0.00 0.00 52.86 51.84 1hx2 s ASN 35 Cb -0.02 -2.37 0.04 0.00 0.41 0.00 0.00 41.25 39.31 1hx2 s ASN 35 CO -0.06 -0.98 1.43 0.00 -1.51 0.00 0.00 177.10 175.98 1hx2 s GLN 36 N 3.27 3.45 0.06 -0.60 -2.07 -1.22 -3.14 119.66 119.41 1hx2 s GLN 36 Ca 0.26 -0.86 -0.07 0.00 -1.82 0.00 0.00 55.36 52.87 1hx2 s GLN 36 Cb -0.14 -5.05 0.02 0.00 -1.09 0.00 0.00 33.01 26.75 1hx2 s GLN 36 CO 0.19 -2.24 0.33 2.89 -1.32 0.00 0.00 175.29 175.14 1hx2 n ARG 37 N 9.01 0.21 -0.57 9.60 1.85 -0.26 -4.76 116.66 131.73 1hx2 n ARG 37 Ca 0.26 -0.47 -0.21 0.00 -1.00 0.00 0.00 57.85 56.43 1hx2 n ARG 37 Cb 0.50 0.64 -0.02 0.00 -1.05 0.00 0.00 32.46 32.53 1hx2 n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1hx2 n GLY 39 N 0.73 2.50 3.52 0.00 0.00 -0.14 -4.65 105.19 107.16 1hx2 n GLY 39 Ca 0.07 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1hx2 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hx2 n ILE 41 N -1.43 0.03 -2.15 0.00 2.08 -1.19 -4.26 119.36 112.44 1hx2 n ILE 41 Ca 0.12 -0.01 -0.36 0.00 0.56 0.00 0.00 62.75 63.06 1hx2 n ILE 41 Cb 0.45 -0.99 -0.04 0.00 -0.75 0.00 0.00 39.64 38.31 1hx2 n ILE 41 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1hx2 s SER 42 N -2.62 5.44 0.00 4.38 1.04 -1.26 -1.48 113.70 119.21 1hx2 s SER 42 Ca 0.67 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1hx2 s SER 42 Cb -0.23 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1hx2 s SER 42 CO 0.58 -2.34 0.00 0.61 0.98 0.00 0.00 173.24 173.07 1hx2 n GLY 43 N 6.02 1.41 3.83 7.32 0.00 -1.26 -5.03 105.19 117.48 1hx2 n GLY 43 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 1hx2 n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hx2 s THR 44 N -1.18 4.72 -0.07 2.61 -4.23 -0.55 -4.07 115.64 112.88 1hx2 s THR 44 Ca 0.00 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1hx2 s THR 44 Cb 0.00 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.48 1hx2 s THR 44 CO 0.00 -0.03 -0.14 0.68 -0.54 0.00 0.00 174.62 174.60 1hx2 s VAL 45 N -1.64 1.27 -0.59 2.29 -7.23 -0.27 -4.41 120.40 109.81 1hx2 s VAL 45 Ca 0.31 -0.55 -0.27 0.00 -1.81 0.00 0.00 61.98 59.67 1hx2 s VAL 45 Cb -0.11 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.58 1hx2 s VAL 45 CO 0.24 0.39 2.46 -0.11 -0.31 0.00 0.00 175.10 177.77 1hx2 n LEU 46 N 3.83 1.92 0.00 1.32 7.94 0.02 -1.20 117.00 130.82 1hx2 n LEU 46 Ca -0.22 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.23 1hx2 n LEU 46 Cb 0.52 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1hx2 n LEU 46 CO 0.25 -1.49 0.00 0.29 -1.11 0.00 0.00 177.39 175.33 1hx2 n LYS 47 N 8.88 0.00 -4.64 1.96 4.76 0.65 -3.57 118.16 126.20 1hx2 n LYS 47 Ca 0.43 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.57 1hx2 n LYS 47 Cb 0.45 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.55 1hx2 n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1hx2 s SER 48 N -0.50 4.02 0.48 4.39 0.01 -1.26 -3.19 113.70 117.65 1hx2 s SER 48 Ca 0.00 -1.47 0.41 0.00 1.31 0.00 0.00 55.95 56.20 1hx2 s SER 48 Cb 0.00 -0.01 1.40 0.00 0.21 0.00 0.00 66.02 67.61 1hx2 s SER 48 CO 0.00 -0.63 1.31 1.17 0.41 0.00 0.00 173.24 175.50 1hx2 n LYS 49 N -1.12 0.00 -2.71 12.44 3.00 -1.26 -2.46 118.16 126.06 1hx2 n LYS 49 Ca -0.11 0.92 -0.07 0.00 -0.00 0.00 0.00 58.31 59.06 1hx2 n LYS 49 Cb 0.67 -2.16 0.10 0.00 0.00 0.00 0.00 35.03 33.64 1hx2 n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1hx2 n ASP 50 N -3.55 -1.98 -2.12 3.14 2.03 -1.26 -4.77 116.55 108.04 1hx2 n ASP 50 Ca 0.36 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.58 1hx2 n ASP 50 Cb 1.68 1.66 0.00 0.00 -0.72 0.00 0.00 41.12 43.75 1hx2 n ASP 50 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1hx2 n SER 51 N 0.36 0.00 0.00 1.67 2.88 -1.03 -5.05 113.62 112.46 1hx2 n SER 51 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1hx2 n SER 51 Cb 0.72 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1hx2 n SER 51 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hx2 n SER 52 N 0.00 0.21 -3.95 -3.46 3.41 -1.26 -4.98 113.62 103.59 1hx2 n SER 52 Ca 0.00 -1.09 -0.12 0.00 -0.26 0.00 0.00 58.87 57.39 1hx2 n SER 52 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1hx2 n SER 52 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1hx2 s GLU 53 N -0.09 0.27 0.07 4.33 2.12 -1.26 -4.62 118.70 119.51 1hx2 s GLU 53 Ca 0.00 -0.32 0.09 0.00 0.36 0.00 0.00 54.97 55.10 1hx2 s GLU 53 Cb 0.00 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.23 1hx2 s GLU 53 CO 0.00 0.03 -0.22 0.00 -0.54 0.00 0.00 175.26 174.52 1hx2 s VAL 55 N -0.94 0.02 0.89 0.00 -7.23 -0.34 -4.75 120.40 108.05 1hx2 s VAL 55 Ca 0.14 -0.19 -0.13 0.00 -1.81 0.00 0.00 61.98 59.99 1hx2 s VAL 55 Cb -0.10 -0.42 0.05 0.00 0.56 0.00 0.00 36.38 36.47 1hx2 s VAL 55 CO 0.05 -0.11 0.68 1.41 -0.31 0.00 0.00 175.10 176.82 1hx2 n HIS 56 N 2.40 -0.53 -0.16 2.82 8.25 -1.26 -1.12 115.22 125.63 1hx2 n HIS 56 Ca -0.16 0.31 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 1hx2 n HIS 56 Cb 0.57 -1.89 0.48 0.00 1.12 0.00 0.00 29.99 30.27 1hx2 n HIS 56 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1hx2 h PRO 57 N -1.33 0.46 0.00 -0.41 0.13 -1.94 -0.11 132.00 128.79 1hx2 h PRO 57 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1hx2 h PRO 57 Cb 1.29 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1hx2 h PRO 57 CO 0.38 0.30 0.00 -1.13 -0.23 0.00 0.00 178.00 177.33 1hx2 n SER 58 N -4.48 0.07 -0.11 1.44 3.41 -1.26 -3.44 113.62 109.24 1hx2 n SER 58 Ca 0.13 0.51 -0.14 0.00 -0.26 0.00 0.00 58.87 59.11 1hx2 n SER 58 Cb 0.46 -0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 1hx2 n SER 58 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hx2 n LYS 59 N -1.57 0.63 0.00 4.33 5.02 -0.17 -5.25 118.16 121.16 1hx2 n LYS 59 Ca 0.05 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1hx2 n LYS 59 Cb 0.25 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1hx2 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88