#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwg s THR 2 N 0.00 4.69 0.43 0.00 2.01 -1.26 -5.05 115.64 116.47 1wwg s THR 2 Ca 0.00 1.25 -0.23 0.00 0.31 0.00 0.00 61.69 63.02 1wwg s THR 2 Cb 0.00 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 68.51 1wwg s THR 2 CO 0.00 0.51 1.09 0.54 -0.69 0.00 0.00 174.62 176.07 1wwg s VAL 3 N -1.16 3.52 -0.44 3.82 0.11 -1.26 -4.98 120.40 120.02 1wwg s VAL 3 Ca 0.31 1.13 0.05 0.00 -2.93 0.00 0.00 61.98 60.54 1wwg s VAL 3 Cb -0.19 -3.56 0.30 0.00 -1.53 0.00 0.00 36.38 31.40 1wwg s VAL 3 CO 0.20 -0.03 1.12 0.55 -3.33 0.00 0.00 175.10 173.61 1wwg n VAL 4 N -0.34 0.00 -3.84 2.04 3.14 -1.26 -5.14 118.33 112.92 1wwg n VAL 4 Ca 0.06 -1.34 -0.06 0.00 -2.96 0.00 0.00 64.34 60.04 1wwg n VAL 4 Cb 0.49 1.42 -0.02 0.00 -1.06 0.00 0.00 33.84 34.68 1wwg n VAL 4 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wwg s SER 5 N -1.15 -0.23 0.33 6.55 0.15 -1.26 -5.19 113.70 112.90 1wwg s SER 5 Ca 0.24 -0.59 -0.03 0.00 0.70 0.00 0.00 55.95 56.27 1wwg s SER 5 Cb 0.28 0.69 0.01 0.00 -1.71 0.00 0.00 66.02 65.29 1wwg s SER 5 CO -0.11 -1.28 0.48 0.61 1.20 0.00 0.00 173.24 174.15 1wwg n GLY 6 N -0.47 2.07 3.41 9.45 0.00 -1.26 -5.17 105.19 113.23 1wwg n GLY 6 Ca -0.04 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.33 1wwg n GLY 6 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wwg s GLN 7 N -2.70 0.46 -0.09 1.61 -2.07 -1.26 -5.14 119.66 110.47 1wwg s GLN 7 Ca 0.26 1.09 -0.03 0.00 -1.82 0.00 0.00 55.36 54.86 1wwg s GLN 7 Cb -0.01 0.31 0.05 0.00 -1.09 0.00 0.00 33.01 32.27 1wwg s GLN 7 CO 0.19 -0.20 0.15 0.15 -1.32 0.00 0.00 175.29 174.26 1wwg s LYS 8 N 2.17 0.03 0.14 9.60 1.02 -1.26 -5.15 119.74 126.29 1wwg s LYS 8 Ca -0.06 0.48 0.05 0.00 0.02 0.00 0.00 55.97 56.46 1wwg s LYS 8 Cb -0.10 -0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1wwg s LYS 8 CO -0.15 -0.36 -0.12 -1.14 -0.92 0.00 0.00 175.35 172.66 1wwg s GLN 9 N 2.27 1.08 0.33 1.68 0.74 -1.26 -5.16 119.66 119.34 1wwg s GLN 9 Ca 0.04 -1.37 0.09 0.00 0.05 0.00 0.00 55.36 54.16 1wwg s GLN 9 Cb -0.12 -0.80 -0.05 0.00 1.10 0.00 0.00 33.01 33.13 1wwg s GLN 9 CO -0.06 0.13 -0.01 0.16 -0.55 0.00 0.00 175.29 174.96 1wwg s ASP 10 N -2.87 4.14 0.10 6.67 -4.77 -1.26 -5.15 116.67 113.53 1wwg s ASP 10 Ca 0.14 -0.98 0.06 0.00 -3.30 0.00 0.00 52.55 48.48 1wwg s ASP 10 Cb -0.01 -0.53 -0.03 0.00 -1.09 0.00 0.00 42.92 41.25 1wwg s ASP 10 CO 0.02 -0.19 -0.16 -0.60 0.70 0.00 0.00 175.17 174.94 1wwg s ARG 11 N -3.69 1.00 -0.22 2.11 3.52 -1.26 -5.13 118.95 115.29 1wwg s ARG 11 Ca 0.34 -1.14 -0.16 0.00 -0.13 0.00 0.00 55.73 54.64 1wwg s ARG 11 Cb -0.01 -1.04 -0.04 0.00 -1.56 0.00 0.00 34.95 32.30 1wwg s ARG 11 CO 0.19 0.22 0.41 1.14 -0.81 0.00 0.00 175.30 176.45 1wwg s GLN 12 N -2.18 4.13 0.00 5.12 1.03 -1.26 -5.02 119.66 121.49 1wwg s GLN 12 Ca 0.05 0.19 0.00 0.00 0.04 0.00 0.00 55.36 55.64 1wwg s GLN 12 Cb -0.08 -3.57 0.00 0.00 0.03 0.00 0.00 33.01 29.39 1wwg s GLN 12 CO 0.03 -0.12 0.00 0.41 -2.54 0.00 0.00 175.29 173.08 1wwg n GLY 13 N 4.11 1.31 0.00 2.60 0.00 -1.26 -5.08 105.19 106.86 1wwg n GLY 13 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1wwg n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wwg n GLY 14 N 3.28 -1.10 2.98 -0.02 0.00 -1.26 -5.17 105.19 103.90 1wwg n GLY 14 Ca 0.00 0.91 -0.13 0.00 0.00 0.00 0.00 46.02 46.80 1wwg n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wwg s GLU 15 N 0.00 0.38 0.00 1.61 -1.05 -1.26 -4.98 118.70 113.40 1wwg s GLU 15 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1wwg s GLU 15 Cb 0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.45 1wwg s GLU 15 CO 0.00 0.05 0.00 -2.13 0.95 0.00 0.00 175.26 174.13 1wwg n ARG 16 N 2.28 0.00 -3.00 -4.83 0.63 -1.26 -5.13 116.66 105.35 1wwg n ARG 16 Ca -0.18 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.36 1wwg n ARG 16 Cb 0.57 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.43 1wwg n ARG 16 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1wwg s ARG 17 N 0.00 4.47 -0.69 -0.14 3.52 -1.26 -4.97 118.95 119.88 1wwg s ARG 17 Ca 0.00 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 1wwg s ARG 17 Cb 0.00 -3.39 0.39 0.00 -1.56 0.00 0.00 34.95 30.39 1wwg s ARG 17 CO 0.00 0.22 1.78 0.54 -0.81 0.00 0.00 175.30 177.03 1wwg n ARG 18 N 3.08 2.95 -4.10 5.12 5.12 -1.26 -4.87 116.66 122.70 1wwg n ARG 18 Ca -0.02 -3.74 -0.29 0.00 -1.93 0.00 0.00 57.85 51.87 1wwg n ARG 18 Cb 0.51 -2.27 -0.05 0.00 -1.16 0.00 0.00 32.46 29.49 1wwg n ARG 18 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1wwg n SER 19 N -0.60 -0.05 -4.24 0.55 2.88 -1.26 0.32 113.62 111.22 1wwg n SER 19 Ca 0.52 -1.13 -0.33 0.00 -1.33 0.00 0.00 58.87 56.60 1wwg n SER 19 Cb 0.44 -2.42 -0.06 0.00 -0.75 0.00 0.00 64.21 61.42 1wwg n SER 19 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1wwg n GLN 20 N -4.49 -1.98 -1.48 -1.46 7.27 -1.26 -4.65 117.38 109.32 1wwg n GLN 20 Ca -0.31 0.24 -0.44 0.00 0.07 0.00 0.00 57.00 56.56 1wwg n GLN 20 Cb 0.69 -4.33 -0.09 0.00 2.41 0.00 0.00 30.24 28.92 1wwg n GLN 20 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1wwg n LEU 21 N -4.41 1.55 -4.88 1.69 0.00 0.15 -4.89 117.00 106.21 1wwg n LEU 21 Ca -0.17 0.10 -0.31 0.00 0.00 0.00 0.00 56.01 55.64 1wwg n LEU 21 Cb 0.61 -1.23 0.02 0.00 0.00 0.00 0.00 43.42 42.83 1wwg n LEU 21 CO 0.85 -0.97 0.73 -1.81 0.00 0.00 0.00 177.39 176.19 1wwg s ASP 22 N 9.11 5.94 0.00 1.96 1.01 -1.26 -4.91 116.67 128.52 1wwg s ASP 22 Ca 1.15 1.31 0.10 0.00 0.71 0.00 0.00 52.55 55.82 1wwg s ASP 22 Cb -0.83 -2.26 0.51 0.00 1.01 0.00 0.00 42.92 41.35 1wwg s ASP 22 CO 0.44 -1.04 1.22 -1.14 0.21 0.00 0.00 175.17 174.85 1wwg n ARG 23 N -2.84 0.14 -1.10 8.23 3.00 -1.26 -1.40 116.66 121.42 1wwg n ARG 23 Ca 0.06 0.20 0.04 0.00 -0.00 0.00 0.00 57.85 58.15 1wwg n ARG 23 Cb 0.55 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.58 1wwg n ARG 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1wwg n ASP 24 N -1.30 1.12 -4.19 6.15 9.92 -1.26 -5.03 116.55 121.96 1wwg n ASP 24 Ca 0.05 -2.52 -0.34 0.00 -0.53 0.00 0.00 54.79 51.45 1wwg n ASP 24 Cb 0.08 -0.35 -0.15 0.00 -0.64 0.00 0.00 41.12 40.06 1wwg n ASP 24 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1wwg s GLN 25 N -0.92 3.10 0.43 -1.24 0.74 -0.49 -0.62 119.66 120.65 1wwg s GLN 25 Ca 0.31 -0.77 -0.24 0.00 0.05 0.00 0.00 55.36 54.70 1wwg s GLN 25 Cb 0.33 -2.75 -0.10 0.00 1.10 0.00 0.00 33.01 31.59 1wwg s GLN 25 CO -0.12 -0.22 1.02 0.00 -0.55 0.00 0.00 175.29 175.42 1wwg n ALA 27 N -0.51 4.16 0.05 0.00 0.00 -1.26 -3.39 120.51 119.55 1wwg n ALA 27 Ca 0.09 -2.45 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1wwg n ALA 27 Cb 0.39 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1wwg n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wwg n TYR 28 N -0.36 -0.56 0.02 0.00 4.19 -1.26 -4.88 117.16 114.31 1wwg n TYR 28 Ca 0.35 0.10 -0.03 0.00 3.31 0.00 0.00 57.90 61.62 1wwg n TYR 28 Cb 1.22 0.24 -0.10 0.00 0.49 0.00 0.00 39.34 41.19 1wwg n TYR 28 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1wwg n LYS 30 N -2.99 0.00 -3.48 0.00 3.00 -1.22 -5.05 118.16 108.42 1wwg n LYS 30 Ca -0.11 0.08 -0.38 0.00 -0.00 0.00 0.00 58.31 57.90 1wwg n LYS 30 Cb 0.92 -2.14 -0.09 0.00 0.00 0.00 0.00 35.03 33.72 1wwg n LYS 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wwg s GLU 31 N -2.34 4.08 -0.06 1.64 2.02 -1.26 -4.69 118.70 118.08 1wwg s GLU 31 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 1wwg s GLU 31 Cb 0.00 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 1wwg s GLU 31 CO 0.00 -0.10 1.05 0.21 0.02 0.00 0.00 175.26 176.44 1wwg s LYS 32 N 1.51 4.44 0.00 1.61 2.20 -1.26 -1.41 119.74 126.83 1wwg s LYS 32 Ca 0.14 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 1wwg s LYS 32 Cb -0.15 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1wwg s LYS 32 CO 0.08 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1wwg n GLY 33 N 3.10 4.25 3.68 5.54 0.00 0.21 -4.97 105.19 117.00 1wwg n GLY 33 Ca 0.08 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1wwg n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wwg s HIS 34 N 0.00 2.04 0.31 1.61 -3.43 -1.25 -5.01 115.29 109.56 1wwg s HIS 34 Ca 0.00 -0.91 0.08 0.00 -0.80 0.00 0.00 55.06 53.42 1wwg s HIS 34 Cb 0.00 -1.60 -0.03 0.00 -1.43 0.00 0.00 32.58 29.52 1wwg s HIS 34 CO 0.00 0.23 0.24 -1.58 -2.00 0.00 0.00 174.74 171.62 1wwg s TRP 35 N -2.89 2.92 0.27 0.38 0.52 -1.26 -2.94 118.94 115.94 1wwg s TRP 35 Ca 0.17 -0.26 -0.03 0.00 0.02 0.00 0.00 56.10 56.00 1wwg s TRP 35 Cb 0.04 -1.65 0.37 0.00 -1.15 0.00 0.00 33.47 31.09 1wwg s TRP 35 CO 0.09 0.31 1.90 0.00 0.02 0.00 0.00 176.95 179.27 1wwg h ALA 36 N 1.38 1.37 0.00 0.98 0.00 -1.90 0.63 119.26 121.71 1wwg h ALA 36 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wwg h ALA 36 Cb 1.25 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wwg h ALA 36 CO 0.60 0.52 0.00 1.63 0.00 0.00 0.00 179.25 181.99 1wwg n LYS 37 N -4.46 0.10 -0.48 0.00 4.76 -1.26 -1.36 118.16 115.46 1wwg n LYS 37 Ca 0.14 0.22 0.06 0.00 -2.87 0.00 0.00 58.31 55.86 1wwg n LYS 37 Cb 0.12 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1wwg n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wwg n ASP 38 N -1.39 1.40 -4.68 4.39 2.03 0.18 -5.05 116.55 113.43 1wwg n ASP 38 Ca 0.05 -2.80 -0.42 0.00 0.52 0.00 0.00 54.79 52.13 1wwg n ASP 38 Cb 0.12 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 1wwg n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wwg n PRO 40 N 5.84 0.75 0.10 0.00 -0.04 -1.26 -2.14 135.00 138.25 1wwg n PRO 40 Ca 0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1wwg n PRO 40 Cb 0.42 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1wwg n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1wwg h LYS 41 N 0.00 0.00 -5.89 0.54 3.64 -1.96 -3.45 116.57 109.44 1wwg h LYS 41 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 1wwg h LYS 41 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1wwg h LYS 41 CO 0.00 0.02 1.48 1.63 -2.27 0.00 0.00 179.45 180.31 1wwg n LYS 42 N -2.70 1.24 0.06 1.90 5.02 -0.91 -4.84 118.16 117.93 1wwg n LYS 42 Ca -0.01 0.30 -0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1wwg n LYS 42 Cb 0.57 -2.72 -0.02 0.00 -0.02 0.00 0.00 35.03 32.84 1wwg n LYS 42 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1wwg h PRO 43 N 13.92 -0.20 -1.02 1.97 0.13 -1.90 -3.50 132.00 141.39 1wwg h PRO 43 Ca -0.29 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.15 1wwg h PRO 43 Cb 1.29 0.05 -0.24 0.00 0.13 0.00 0.00 31.00 32.23 1wwg h PRO 43 CO 1.04 -0.14 0.99 -0.98 -0.23 0.00 0.00 178.00 178.69 1wwg s ARG 44 N -2.21 0.01 0.42 0.86 1.70 -1.26 -5.17 118.95 113.31 1wwg s ARG 44 Ca -0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 55.73 55.23 1wwg s ARG 44 Cb 0.00 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 1wwg s ARG 44 CO 0.09 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 1wwg n GLY 45 N 0.22 -1.91 3.80 3.88 0.00 -1.26 -4.97 105.19 104.95 1wwg n GLY 45 Ca 0.04 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1wwg n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwg s PRO 46 N -1.71 1.61 0.03 1.61 0.04 -1.26 -5.10 135.00 130.22 1wwg s PRO 46 Ca 0.00 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 1wwg s PRO 46 Cb 0.00 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1wwg s PRO 46 CO 0.00 -1.91 1.12 -0.98 0.04 0.00 0.00 177.00 175.27 1wwg s ARG 47 N -5.22 4.47 0.24 4.56 1.70 -1.26 -5.04 118.95 118.41 1wwg s ARG 47 Ca 0.62 1.64 0.01 0.00 -0.47 0.00 0.00 55.73 57.53 1wwg s ARG 47 Cb -0.15 -3.40 -0.04 0.00 -0.57 0.00 0.00 34.95 30.80 1wwg s ARG 47 CO 0.54 -0.19 0.41 0.20 -1.08 0.00 0.00 175.30 175.18 1wwg s GLY 48 N 1.06 1.57 0.84 3.88 0.00 -1.26 -5.10 107.32 108.31 1wwg s GLY 48 Ca 0.56 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 44.22 1wwg s GLY 48 CO 0.28 -0.91 1.11 2.56 0.00 0.00 0.00 173.10 176.14 1wwg s PRO 49 N -3.67 1.75 0.00 2.90 0.04 -1.26 -5.09 135.00 129.67 1wwg s PRO 49 Ca 0.38 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1wwg s PRO 49 Cb -0.10 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1wwg s PRO 49 CO 0.30 -1.83 -0.01 -0.98 0.04 0.00 0.00 177.00 174.52 1wwg s ARG 50 N -5.20 0.12 -0.74 4.56 1.70 -1.26 -5.04 118.95 113.09 1wwg s ARG 50 Ca 0.62 -0.12 -0.06 0.00 -0.47 0.00 0.00 55.73 55.70 1wwg s ARG 50 Cb -0.14 -0.07 -0.12 0.00 -0.57 0.00 0.00 34.95 34.04 1wwg s ARG 50 CO 0.54 0.02 2.63 -0.35 -1.08 0.00 0.00 175.30 177.06 1wwg n PRO 51 N 2.86 2.29 -3.25 3.89 -0.04 -1.26 -4.47 135.00 135.02 1wwg n PRO 51 Ca -0.14 -1.38 -0.04 0.00 -0.04 0.00 0.00 63.50 61.91 1wwg n PRO 51 Cb 0.59 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 1wwg n PRO 51 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wwg s GLN 52 N 2.33 0.77 -0.15 0.54 -0.21 -1.26 -5.03 119.66 116.66 1wwg s GLN 52 Ca 0.52 -0.42 -0.11 0.00 0.02 0.00 0.00 55.36 55.37 1wwg s GLN 52 Cb 0.18 -0.12 -0.07 0.00 1.00 0.00 0.00 33.01 34.00 1wwg s GLN 52 CO -0.03 -1.19 0.00 1.79 -2.12 0.00 0.00 175.29 173.74 1wwg h THR 53 N 5.01 0.30 -2.88 -0.19 1.35 -2.06 -3.50 112.91 110.94 1wwg h THR 53 Ca 0.05 -1.32 0.05 0.00 -0.55 0.00 0.00 66.41 64.64 1wwg h THR 53 Cb 1.15 0.67 -0.09 0.00 -1.73 0.00 0.00 68.15 68.15 1wwg h THR 53 CO 0.13 0.10 0.27 -0.44 -0.25 0.00 0.00 175.52 175.33 1wwg s SER 54 N -5.94 -0.38 -0.27 5.36 0.01 -1.26 -5.14 113.70 106.07 1wwg s SER 54 Ca -0.15 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1wwg s SER 54 Cb 0.02 0.63 0.08 0.00 0.21 0.00 0.00 66.02 66.96 1wwg s SER 54 CO 0.28 -1.10 0.04 -0.22 0.41 0.00 0.00 173.24 172.64 1wwg s LEU 55 N -2.82 2.54 0.00 2.44 0.20 -1.26 -5.25 118.68 114.53 1wwg s LEU 55 Ca 0.07 -1.46 0.15 0.00 0.69 0.00 0.00 54.13 53.58 1wwg s LEU 55 Cb -0.03 -1.03 0.12 0.00 -0.43 0.00 0.00 46.19 44.82 1wwg s LEU 55 CO -0.02 -0.34 0.96 -0.11 -0.29 0.00 0.00 176.35 176.55