#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 -0.53 -0.19 0.00 -1.32 -1.26 -5.12 115.64 107.22 1wwg s THR 2 Ca 0.00 0.06 -0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1wwg s THR 2 Cb 0.00 -0.68 0.07 0.00 -1.51 0.00 0.00 72.50 70.38 1wwg s THR 2 CO 0.00 -0.04 0.09 0.68 -2.21 0.00 0.00 174.62 173.14 1wwg s VAL 3 N 2.50 0.02 0.01 5.08 -7.23 -1.26 -5.13 120.40 114.40 1wwg s VAL 3 Ca 0.06 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.91 1wwg s VAL 3 Cb -0.14 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.07 1wwg s VAL 3 CO -0.13 -0.34 -0.04 0.54 -0.31 0.00 0.00 175.10 174.82 1wwg s VAL 4 N 2.08 0.28 0.04 1.32 0.11 -1.26 -5.11 120.40 117.86 1wwg s VAL 4 Ca 0.03 -0.49 -0.39 0.00 -2.93 0.00 0.00 61.98 58.20 1wwg s VAL 4 Cb -0.16 -0.30 -0.19 0.00 -1.53 0.00 0.00 36.38 34.20 1wwg s VAL 4 CO -0.13 -0.14 1.15 -1.20 -3.33 0.00 0.00 175.10 171.44 1wwg n SER 5 N 2.39 0.53 0.00 3.54 7.64 -1.26 -4.25 113.62 122.22 1wwg n SER 5 Ca -0.17 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1wwg n SER 5 Cb 0.57 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1wwg n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwg n GLY 6 N 1.85 -0.52 5.00 0.23 0.00 -1.26 -5.03 105.19 105.46 1wwg n GLY 6 Ca 0.19 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1wwg n GLY 6 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wwg n GLN 7 N 0.00 0.00 0.05 1.61 3.00 -1.26 -3.42 117.38 117.35 1wwg n GLN 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wwg n GLN 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1wwg n GLN 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1wwg n LYS 8 N 0.00 0.00 0.00 -1.09 5.02 -1.26 -5.07 118.16 115.76 1wwg n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wwg n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1wwg n LYS 8 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1wwg n GLN 9 N -2.65 0.00 0.00 1.97 6.02 -1.22 -5.07 117.38 116.43 1wwg n GLN 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wwg n GLN 9 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1wwg n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wwg n ASP 10 N -1.72 0.00 -0.67 1.08 8.00 -1.26 -4.78 116.55 117.21 1wwg n ASP 10 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1wwg n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1wwg n ASP 10 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1wwg n ARG 11 N 0.00 0.00 -3.05 -1.24 0.00 -1.26 -5.10 116.66 106.01 1wwg n ARG 11 Ca 0.00 0.49 0.04 0.00 -0.00 0.00 0.00 57.85 58.38 1wwg n ARG 11 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 32.46 32.29 1wwg n ARG 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1wwg s GLN 12 N -2.64 0.22 0.00 -0.14 0.74 -1.26 -5.17 119.66 111.41 1wwg s GLN 12 Ca 0.00 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.51 1wwg s GLN 12 Cb 0.00 0.07 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1wwg s GLN 12 CO 0.00 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 174.77 1wwg n GLY 13 N 4.72 3.48 3.51 2.59 0.00 -1.26 -5.09 105.19 113.14 1wwg n GLY 13 Ca 0.08 -1.21 -0.58 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 0.38 3.18 -0.02 0.00 -1.26 -4.91 105.19 102.56 1wwg n GLY 14 Ca 0.00 1.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.93 1wwg n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wwg s GLU 15 N 4.93 0.79 0.56 1.61 0.41 -1.26 -5.12 118.70 120.61 1wwg s GLU 15 Ca 1.09 -1.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.63 1wwg s GLU 15 Cb -1.19 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 31.47 1wwg s GLU 15 CO 0.63 -0.23 0.00 0.54 -0.49 0.00 0.00 175.26 175.71 1wwg n ARG 16 N -0.00 -3.14 -0.89 1.61 1.74 -1.26 -5.04 116.66 109.68 1wwg n ARG 16 Ca -0.15 2.51 0.00 0.00 -0.77 0.00 0.00 57.85 59.44 1wwg n ARG 16 Cb 0.62 -3.72 0.00 0.00 -1.02 0.00 0.00 32.46 28.34 1wwg n ARG 16 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1wwg n ARG 17 N -4.28 0.00 -1.03 5.56 0.63 -1.26 -4.80 116.66 111.48 1wwg n ARG 17 Ca -0.08 0.41 -0.29 0.00 -0.92 0.00 0.00 57.85 56.97 1wwg n ARG 17 Cb 0.66 -0.48 -0.04 0.00 0.45 0.00 0.00 32.46 33.05 1wwg n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wwg n ARG 18 N 0.49 2.82 -1.42 -0.14 1.74 -1.26 -4.89 116.66 114.00 1wwg n ARG 18 Ca 0.00 -1.73 -0.47 0.00 -0.77 0.00 0.00 57.85 54.88 1wwg n ARG 18 Cb 0.00 -2.54 -0.13 0.00 -1.02 0.00 0.00 32.46 28.77 1wwg n ARG 18 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wwg n SER 19 N 3.66 0.69 -4.15 0.55 3.41 -1.26 -0.47 113.62 116.05 1wwg n SER 19 Ca 0.60 0.31 -0.37 0.00 -0.26 0.00 0.00 58.87 59.15 1wwg n SER 19 Cb 0.27 -0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 63.20 1wwg n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wwg n GLN 20 N 8.20 -0.61 -2.91 4.33 6.02 -1.26 -4.80 117.38 126.34 1wwg n GLN 20 Ca 0.59 0.05 -0.44 0.00 -0.01 0.00 0.00 57.00 57.19 1wwg n GLN 20 Cb 0.05 -2.83 -0.02 0.00 1.02 0.00 0.00 30.24 28.46 1wwg n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wwg s LEU 21 N -7.24 4.98 0.42 1.08 0.20 0.38 -5.01 118.68 113.49 1wwg s LEU 21 Ca 0.22 -2.13 -0.24 0.00 0.69 0.00 0.00 54.13 52.67 1wwg s LEU 21 Cb -0.12 -2.41 -0.08 0.00 -0.43 0.00 0.00 46.19 43.15 1wwg s LEU 21 CO 0.93 -1.05 1.10 -0.62 -0.29 0.00 0.00 176.35 176.42 1wwg s ASP 22 N 3.60 6.56 0.04 3.68 2.15 -1.26 -4.88 116.67 126.55 1wwg s ASP 22 Ca 0.35 2.16 0.07 0.00 0.43 0.00 0.00 52.55 55.56 1wwg s ASP 22 Cb -0.04 -2.59 0.32 0.00 -0.30 0.00 0.00 42.92 40.30 1wwg s ASP 22 CO -0.08 -0.64 1.22 0.54 -0.17 0.00 0.00 175.17 176.04 1wwg n ARG 23 N -0.16 0.02 -1.10 4.34 5.12 -1.26 -0.84 116.66 122.78 1wwg n ARG 23 Ca 0.05 0.43 -0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1wwg n ARG 23 Cb 0.49 -1.55 0.14 0.00 -1.16 0.00 0.00 32.46 30.37 1wwg n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wwg n ASP 24 N -1.59 2.19 -4.53 0.55 -0.08 -1.26 -5.04 116.55 106.78 1wwg n ASP 24 Ca 0.01 -3.51 -0.30 0.00 -1.51 0.00 0.00 54.79 49.48 1wwg n ASP 24 Cb 0.06 -0.46 -0.08 0.00 2.34 0.00 0.00 41.12 42.98 1wwg n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1wwg s GLN 25 N -2.84 2.07 -0.16 -0.67 -0.21 -0.02 -1.11 119.66 116.72 1wwg s GLN 25 Ca 0.39 -2.29 -0.04 0.00 0.02 0.00 0.00 55.36 53.44 1wwg s GLN 25 Cb 0.38 -1.22 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 1wwg s GLN 25 CO -0.06 -0.37 -0.02 0.00 -2.12 0.00 0.00 175.29 172.72 1wwg n ALA 27 N 3.54 5.70 0.09 0.00 0.00 -1.26 -2.62 120.51 125.95 1wwg n ALA 27 Ca -0.17 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1wwg n ALA 27 Cb 0.52 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.87 -1.15 -0.01 0.00 9.36 -1.26 -4.87 117.16 118.36 1wwg n TYR 28 Ca 0.56 0.20 0.10 0.00 3.32 0.00 0.00 57.90 62.09 1wwg n TYR 28 Cb 1.15 0.30 -0.17 0.00 -0.63 0.00 0.00 39.34 39.99 1wwg n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wwg n LYS 30 N -2.28 0.00 -1.25 0.00 4.76 -1.08 -5.07 118.16 113.25 1wwg n LYS 30 Ca -0.05 0.16 -0.20 0.00 -2.87 0.00 0.00 58.31 55.35 1wwg n LYS 30 Cb 0.59 -2.03 0.14 0.00 -1.84 0.00 0.00 35.03 31.89 1wwg n LYS 30 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wwg n GLU 31 N -1.89 -1.02 -3.68 1.97 -0.58 -1.24 -4.76 120.64 109.43 1wwg n GLU 31 Ca 0.00 -1.38 -0.20 0.00 -0.42 0.00 0.00 57.16 55.15 1wwg n GLU 31 Cb 0.11 -0.95 -0.18 0.00 -0.57 0.00 0.00 31.44 29.85 1wwg n GLU 31 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1wwg s LYS 32 N -4.96 -0.00 0.00 3.49 -2.85 -1.26 -0.93 119.74 113.23 1wwg s LYS 32 Ca 0.51 0.34 0.00 0.00 -1.00 0.00 0.00 55.97 55.82 1wwg s LYS 32 Cb -0.02 -0.58 0.00 0.00 -2.06 0.00 0.00 37.83 35.17 1wwg s LYS 32 CO 0.36 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1wwg n GLY 33 N 5.28 3.80 3.82 0.59 0.00 -0.26 -4.98 105.19 113.43 1wwg n GLY 33 Ca -0.04 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 3.07 0.29 1.61 -3.43 -1.26 -4.87 115.29 110.70 1wwg s HIS 34 Ca 0.00 -0.14 0.03 0.00 -0.80 0.00 0.00 55.06 54.16 1wwg s HIS 34 Cb 0.00 -1.44 -0.03 0.00 -1.43 0.00 0.00 32.58 29.69 1wwg s HIS 34 CO 0.00 0.49 0.45 -1.58 -2.00 0.00 0.00 174.74 172.10 1wwg s TRP 35 N -2.16 3.43 0.35 0.38 0.52 -1.26 -2.77 118.94 117.43 1wwg s TRP 35 Ca 0.34 0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.59 1wwg s TRP 35 Cb -0.08 -1.75 0.65 0.00 -1.15 0.00 0.00 33.47 31.15 1wwg s TRP 35 CO 0.25 0.26 1.99 0.00 0.02 0.00 0.00 176.95 179.47 1wwg h ALA 36 N 0.97 1.59 0.00 0.98 0.00 -1.90 0.55 119.26 121.44 1wwg h ALA 36 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wwg h ALA 36 Cb 1.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wwg h ALA 36 CO 0.60 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.83 1wwg n LYS 37 N -4.45 0.04 -0.82 0.00 4.01 -1.26 -1.39 118.16 114.29 1wwg n LYS 37 Ca 0.08 0.38 0.05 0.00 -0.51 0.00 0.00 58.31 58.31 1wwg n LYS 37 Cb 0.11 -1.59 0.09 0.00 -0.51 0.00 0.00 35.03 33.12 1wwg n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wwg n ASP 38 N -1.66 1.19 -4.70 4.39 2.03 0.16 -5.07 116.55 112.89 1wwg n ASP 38 Ca 0.02 -2.68 -0.42 0.00 0.52 0.00 0.00 54.79 52.23 1wwg n ASP 38 Cb 0.12 -0.36 -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 4.96 0.75 0.02 0.00 -0.04 -1.26 -2.03 135.00 137.39 1wwg n PRO 40 Ca 0.15 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1wwg n PRO 40 Cb 0.40 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1wwg n PRO 40 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wwg n LYS 41 N -0.97 0.60 -1.35 0.54 4.81 -1.26 -4.96 118.16 115.56 1wwg n LYS 41 Ca 0.17 -0.09 -0.36 0.00 -0.87 0.00 0.00 58.31 57.16 1wwg n LYS 41 Cb 0.08 -1.61 0.09 0.00 0.02 0.00 0.00 35.03 33.60 1wwg n LYS 41 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1wwg n LYS 42 N -2.34 0.50 -2.40 1.64 5.02 -0.86 -4.89 118.16 114.83 1wwg n LYS 42 Ca -0.02 0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 56.06 1wwg n LYS 42 Cb 0.55 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 1wwg n LYS 42 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wwg s PRO 43 N -3.29 4.14 -1.07 1.97 0.04 -1.26 -4.95 135.00 130.58 1wwg s PRO 43 Ca 0.73 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1wwg s PRO 43 Cb -0.35 -3.81 0.14 0.00 0.04 0.00 0.00 34.50 30.52 1wwg s PRO 43 CO 0.51 -0.83 1.32 0.50 0.04 0.00 0.00 177.00 178.54 1wwg s ARG 44 N 3.71 3.82 0.29 4.56 3.52 -1.26 -4.92 118.95 128.67 1wwg s ARG 44 Ca 0.56 -2.04 0.00 0.00 -0.13 0.00 0.00 55.73 54.12 1wwg s ARG 44 Cb -0.21 -5.05 0.00 0.00 -1.56 0.00 0.00 34.95 28.13 1wwg s ARG 44 CO 0.17 -1.84 0.00 0.41 -0.81 0.00 0.00 175.30 173.23 1wwg n GLY 45 N 5.07 -2.02 3.81 8.12 0.00 -1.26 -4.95 105.19 113.95 1wwg n GLY 45 Ca 0.31 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.31 3.45 0.08 1.61 0.04 -1.26 -5.03 135.00 131.58 1wwg s PRO 46 Ca 0.00 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1wwg s PRO 46 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1wwg s PRO 46 CO 0.00 -0.70 0.00 0.54 0.04 0.00 0.00 177.00 176.88 1wwg n ARG 47 N -1.85 -4.85 0.00 4.56 1.74 -1.26 -5.05 116.66 109.95 1wwg n ARG 47 Ca 0.09 3.53 0.00 0.00 -0.77 0.00 0.00 57.85 60.70 1wwg n ARG 47 Cb 0.53 -4.15 0.00 0.00 -1.02 0.00 0.00 32.46 27.82 1wwg n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wwg n GLY 48 N 1.68 0.87 3.80 -0.13 0.00 -1.26 -5.03 105.19 105.12 1wwg n GLY 48 Ca 0.00 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1wwg n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwg s PRO 49 N 0.15 3.66 0.02 1.61 0.04 -1.26 -5.06 135.00 134.15 1wwg s PRO 49 Ca 0.00 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.40 1wwg s PRO 49 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1wwg s PRO 49 CO 0.00 -0.54 -0.18 -0.98 0.04 0.00 0.00 177.00 175.33 1wwg s ARG 50 N -3.53 2.15 -0.61 4.56 3.03 -1.26 -5.07 118.95 118.22 1wwg s ARG 50 Ca 0.66 -0.93 -0.27 0.00 2.03 0.00 0.00 55.73 57.22 1wwg s ARG 50 Cb -0.16 -2.21 0.01 0.00 -1.03 0.00 0.00 34.95 31.56 1wwg s ARG 50 CO 0.26 0.56 1.52 -1.25 -1.13 0.00 0.00 175.30 175.26 1wwg s PRO 51 N -1.24 3.09 0.13 3.89 0.04 -1.26 -4.94 135.00 134.71 1wwg s PRO 51 Ca 0.14 0.37 -0.32 0.00 0.04 0.00 0.00 61.00 61.22 1wwg s PRO 51 Cb -0.10 -4.21 -0.18 0.00 0.04 0.00 0.00 34.50 30.04 1wwg s PRO 51 CO 0.04 -2.21 0.74 0.00 0.04 0.00 0.00 177.00 175.61 1wwg n GLN 52 N 8.97 0.07 -1.43 4.56 10.64 -1.26 -4.74 117.38 134.19 1wwg n GLN 52 Ca 0.13 0.02 -0.40 0.00 -1.83 0.00 0.00 57.00 54.92 1wwg n GLN 52 Cb 0.50 -1.22 -0.02 0.00 -0.86 0.00 0.00 30.24 28.64 1wwg n GLN 52 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1wwg n THR 53 N 0.56 4.22 -3.64 -0.39 5.66 -1.26 -4.80 114.28 114.63 1wwg n THR 53 Ca 0.18 -2.77 -0.15 0.00 -3.05 0.00 0.00 64.05 58.26 1wwg n THR 53 Cb 0.19 -2.59 -0.08 0.00 -1.55 0.00 0.00 70.33 66.31 1wwg n THR 53 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wwg s SER 54 N 2.25 -0.51 -0.37 1.09 1.04 -1.26 -5.13 113.70 110.81 1wwg s SER 54 Ca 0.65 0.70 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 1wwg s SER 54 Cb 0.17 0.69 -0.00 0.00 0.10 0.00 0.00 66.02 66.98 1wwg s SER 54 CO -0.07 -0.43 0.30 -0.22 0.98 0.00 0.00 173.24 173.81 1wwg s LEU 55 N -0.72 4.69 0.00 2.42 2.96 -1.26 -5.19 118.68 121.58 1wwg s LEU 55 Ca -0.08 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1wwg s LEU 55 Cb -0.03 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1wwg s LEU 55 CO 0.05 -0.34 0.00 -0.11 -1.32 0.00 0.00 176.35 174.63