#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 0.03 -0.08 0.00 2.01 -1.26 -5.15 115.64 111.19 1wwg s THR 2 Ca 0.00 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 1wwg s THR 2 Cb 0.00 -0.32 0.04 0.00 0.01 0.00 0.00 72.50 72.24 1wwg s THR 2 CO 0.00 -0.14 0.18 0.54 -0.69 0.00 0.00 174.62 174.51 1wwg s VAL 3 N -0.47 -0.13 -0.30 3.82 0.11 -1.26 -5.13 120.40 117.05 1wwg s VAL 3 Ca -0.06 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1wwg s VAL 3 Cb -0.04 -0.30 0.15 0.00 -1.53 0.00 0.00 36.38 34.66 1wwg s VAL 3 CO 0.01 0.09 0.94 0.54 -3.33 0.00 0.00 175.10 173.35 1wwg s VAL 4 N 1.54 -0.38 -0.29 2.04 0.11 -1.26 -5.17 120.40 116.99 1wwg s VAL 4 Ca -0.06 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.73 1wwg s VAL 4 Cb -0.11 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.92 1wwg s VAL 4 CO -0.07 0.00 1.40 -0.55 -3.33 0.00 0.00 175.10 172.55 1wwg s SER 5 N 2.13 -0.07 0.00 3.54 0.15 -1.26 -5.18 113.70 113.01 1wwg s SER 5 Ca -0.05 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1wwg s SER 5 Cb -0.06 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1wwg s SER 5 CO -0.17 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wwg n GLY 6 N 1.32 1.50 3.59 9.45 0.00 -1.26 -5.18 105.19 114.62 1wwg n GLY 6 Ca -0.08 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1wwg n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wwg s GLN 7 N 2.70 0.57 -0.08 1.61 0.74 -1.26 -5.09 119.66 118.86 1wwg s GLN 7 Ca 0.00 0.24 -0.03 0.00 0.05 0.00 0.00 55.36 55.62 1wwg s GLN 7 Cb 0.00 0.27 -0.01 0.00 1.10 0.00 0.00 33.01 34.37 1wwg s GLN 7 CO 0.00 -0.16 -0.06 0.87 -0.55 0.00 0.00 175.29 175.39 1wwg h LYS 8 N 2.91 0.00 -6.27 1.67 1.57 -2.08 -3.49 116.57 110.87 1wwg h LYS 8 Ca -0.20 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.27 1wwg h LYS 8 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1wwg h LYS 8 CO 0.27 0.00 -1.05 0.94 -0.57 0.00 0.00 179.45 179.04 1wwg n GLN 9 N -3.79 -2.03 -3.91 3.15 7.27 -1.26 -4.94 117.38 111.88 1wwg n GLN 9 Ca -0.02 1.58 -0.30 0.00 0.07 0.00 0.00 57.00 58.32 1wwg n GLN 9 Cb 0.09 -2.87 -0.14 0.00 2.41 0.00 0.00 30.24 29.73 1wwg n GLN 9 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1wwg s ASP 10 N -1.75 4.24 -0.29 1.69 2.15 -1.26 -5.03 116.67 116.42 1wwg s ASP 10 Ca 0.35 -3.04 -0.15 0.00 0.43 0.00 0.00 52.55 50.14 1wwg s ASP 10 Cb -0.05 -1.54 0.13 0.00 -0.30 0.00 0.00 42.92 41.16 1wwg s ASP 10 CO 0.85 -0.22 0.86 -0.60 -0.17 0.00 0.00 175.17 175.90 1wwg s ARG 11 N -0.31 0.48 -0.29 4.34 6.06 -1.26 -5.16 118.95 122.81 1wwg s ARG 11 Ca 0.18 0.90 -0.20 0.00 -2.50 0.00 0.00 55.73 54.11 1wwg s ARG 11 Cb -0.24 0.21 0.14 0.00 0.06 0.00 0.00 34.95 35.13 1wwg s ARG 11 CO -0.02 -0.11 1.03 1.14 -2.50 0.00 0.00 175.30 174.84 1wwg s GLN 12 N 1.71 0.40 0.00 5.12 -2.07 -1.26 -5.18 119.66 118.38 1wwg s GLN 12 Ca -0.08 0.59 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 1wwg s GLN 12 Cb -0.05 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 32.00 1wwg s GLN 12 CO -0.17 -0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 1wwg n GLY 13 N 3.00 -0.64 0.00 2.60 0.00 -1.26 -5.10 105.19 103.79 1wwg n GLY 13 Ca -0.16 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 5.00 -1.34 3.46 -0.02 0.00 -1.26 -4.81 105.19 106.23 1wwg n GLY 14 Ca 0.00 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 1wwg n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wwg n GLU 15 N -1.33 -2.21 0.01 1.61 0.00 -1.26 -4.72 120.64 112.74 1wwg n GLU 15 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 57.16 57.85 1wwg n GLU 15 Cb 0.00 -5.11 0.00 0.00 0.00 0.00 0.00 31.44 26.33 1wwg n GLU 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1wwg n ARG 16 N -3.72 0.00 -2.21 5.31 3.00 -1.26 -5.01 116.66 112.77 1wwg n ARG 16 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.73 1wwg n ARG 16 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.05 1wwg n ARG 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1wwg n ARG 17 N -2.68 0.01 -4.26 -0.14 3.00 -1.26 -4.98 116.66 106.36 1wwg n ARG 17 Ca 0.00 -0.32 -0.30 0.00 -0.00 0.00 0.00 57.85 57.23 1wwg n ARG 17 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.38 1wwg n ARG 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wwg n ARG 18 N -0.31 -1.32 0.00 -0.14 1.74 -1.26 -3.16 116.66 112.20 1wwg n ARG 18 Ca -0.20 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1wwg n ARG 18 Cb 0.57 -3.73 0.00 0.00 -1.02 0.00 0.00 32.46 28.28 1wwg n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wwg n SER 19 N -2.90 0.00 -1.33 0.55 2.88 -1.26 -1.03 113.62 110.53 1wwg n SER 19 Ca -0.33 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.17 1wwg n SER 19 Cb 0.70 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.15 1wwg n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wwg n GLN 20 N 0.00 0.31 -1.50 -1.46 10.64 -1.19 -5.07 117.38 119.12 1wwg n GLN 20 Ca 0.00 -0.79 -0.41 0.00 -1.83 0.00 0.00 57.00 53.97 1wwg n GLN 20 Cb 0.00 0.44 -0.15 0.00 -0.86 0.00 0.00 30.24 29.68 1wwg n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1wwg n LEU 21 N -0.36 0.33 -4.83 2.61 0.00 -0.19 -4.84 117.00 109.73 1wwg n LEU 21 Ca -0.18 0.17 -0.32 0.00 0.00 0.00 0.00 56.01 55.67 1wwg n LEU 21 Cb 0.64 -0.93 -0.00 0.00 0.00 0.00 0.00 43.42 43.13 1wwg n LEU 21 CO -0.11 -0.74 0.70 -1.81 0.00 0.00 0.00 177.39 175.44 1wwg s ASP 22 N 9.05 6.09 0.00 1.96 1.11 -1.26 -4.90 116.67 128.73 1wwg s ASP 22 Ca 1.35 1.66 0.08 0.00 0.18 0.00 0.00 52.55 55.82 1wwg s ASP 22 Cb -1.24 -2.51 0.37 0.00 1.07 0.00 0.00 42.92 40.61 1wwg s ASP 22 CO 0.49 -0.95 1.17 -1.14 1.18 0.00 0.00 175.17 175.91 1wwg n ARG 23 N -2.07 0.07 -1.33 8.23 3.00 -1.26 -1.17 116.66 122.13 1wwg n ARG 23 Ca 0.07 0.28 0.01 0.00 -0.00 0.00 0.00 57.85 58.22 1wwg n ARG 23 Cb 0.53 -1.50 0.10 0.00 0.00 0.00 0.00 32.46 31.59 1wwg n ARG 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1wwg n ASP 24 N -1.37 1.77 -3.98 6.15 5.75 -1.26 -5.06 116.55 118.54 1wwg n ASP 24 Ca 0.03 -2.96 -0.21 0.00 -0.01 0.00 0.00 54.79 51.63 1wwg n ASP 24 Cb 0.07 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.72 1wwg n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wwg n GLN 25 N -0.40 1.02 -4.81 0.11 6.02 -0.32 -1.23 117.38 117.78 1wwg n GLN 25 Ca 0.15 -2.58 -0.33 0.00 -0.01 0.00 0.00 57.00 54.23 1wwg n GLN 25 Cb 0.91 0.51 -0.13 0.00 1.02 0.00 0.00 30.24 32.55 1wwg n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwg n ALA 27 N 2.45 5.02 0.04 0.00 0.00 -1.26 -3.11 120.51 123.64 1wwg n ALA 27 Ca -0.17 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.52 1wwg n ALA 27 Cb 0.52 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.81 -0.43 0.33 0.00 4.19 -1.26 -4.87 117.16 114.31 1wwg n TYR 28 Ca 0.49 0.08 0.11 0.00 3.31 0.00 0.00 57.90 61.89 1wwg n TYR 28 Cb 1.47 0.23 -0.05 0.00 0.49 0.00 0.00 39.34 41.48 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 -2.17 0.00 -2.07 0.00 4.76 -1.18 -5.04 118.16 112.46 1wwg n LYS 30 Ca -0.00 0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 55.46 1wwg n LYS 30 Cb 0.49 -3.02 0.01 0.00 -1.84 0.00 0.00 35.03 30.68 1wwg n LYS 30 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1wwg s GLU 31 N -1.44 3.26 -0.26 1.97 2.56 -1.26 -4.60 118.70 118.94 1wwg s GLU 31 Ca 0.00 1.33 -0.05 0.00 0.00 0.00 0.00 54.97 56.25 1wwg s GLU 31 Cb 0.00 -2.02 0.00 0.00 2.00 0.00 0.00 34.13 34.12 1wwg s GLU 31 CO 0.00 -0.87 0.02 0.21 -0.56 0.00 0.00 175.26 174.06 1wwg s LYS 32 N -3.86 3.20 0.00 4.30 2.20 -1.26 0.96 119.74 125.28 1wwg s LYS 32 Ca 0.66 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 1wwg s LYS 32 Cb -0.18 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1wwg s LYS 32 CO 0.34 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1wwg n GLY 33 N 4.82 4.14 3.79 5.54 0.00 -0.37 -5.01 105.19 118.10 1wwg n GLY 33 Ca -0.16 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 2.66 0.34 1.61 -3.43 -1.26 -4.88 115.29 110.33 1wwg s HIS 34 Ca 0.00 -0.52 0.08 0.00 -0.80 0.00 0.00 55.06 53.81 1wwg s HIS 34 Cb 0.00 -2.00 -0.03 0.00 -1.43 0.00 0.00 32.58 29.12 1wwg s HIS 34 CO 0.00 0.09 0.27 -1.58 -2.00 0.00 0.00 174.74 171.52 1wwg s TRP 35 N -2.53 2.86 0.23 0.38 0.52 -1.26 -2.83 118.94 116.32 1wwg s TRP 35 Ca 0.43 -0.32 -0.07 0.00 0.02 0.00 0.00 56.10 56.16 1wwg s TRP 35 Cb 0.00 -1.79 0.29 0.00 -1.15 0.00 0.00 33.47 30.82 1wwg s TRP 35 CO 0.25 0.19 1.85 0.00 0.02 0.00 0.00 176.95 179.26 1wwg h ALA 36 N 1.28 1.09 0.00 0.98 0.00 -1.90 0.74 119.26 121.45 1wwg h ALA 36 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wwg h ALA 36 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wwg h ALA 36 CO 0.59 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.71 1wwg n LYS 37 N -4.65 0.04 -0.47 0.00 4.01 -1.26 -1.13 118.16 114.70 1wwg n LYS 37 Ca 0.11 0.37 0.06 0.00 -0.51 0.00 0.00 58.31 58.34 1wwg n LYS 37 Cb 0.16 -1.59 0.11 0.00 -0.51 0.00 0.00 35.03 33.20 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 1.52 -4.72 4.39 2.03 0.19 -5.05 116.55 113.25 1wwg n ASP 38 Ca 0.02 -2.91 -0.42 0.00 0.52 0.00 0.00 54.79 52.00 1wwg n ASP 38 Cb 0.12 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 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 3.82 0.75 0.14 0.00 -0.04 -1.26 -2.25 135.00 136.16 1wwg n PRO 40 Ca 0.09 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1wwg n PRO 40 Cb 0.45 -1.45 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -5.47 0.54 3.64 -1.95 -3.46 116.57 109.88 1wwg h LYS 41 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1wwg h LYS 41 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1wwg h LYS 41 CO 0.00 0.08 1.60 1.63 -2.27 0.00 0.00 179.45 180.49 1wwg n LYS 42 N -2.90 0.36 -2.13 1.90 5.02 -0.95 -4.75 118.16 114.71 1wwg n LYS 42 Ca 0.01 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 1wwg n LYS 42 Cb 0.59 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1wwg n LYS 42 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wwg n PRO 43 N 8.34 2.36 -3.23 1.97 -0.04 -1.26 -4.71 135.00 138.43 1wwg n PRO 43 Ca 0.55 -2.73 -0.19 0.00 -0.04 0.00 0.00 63.50 61.08 1wwg n PRO 43 Cb 0.14 -3.50 -0.07 0.00 -0.04 0.00 0.00 33.50 30.03 1wwg n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wwg s ARG 44 N 5.05 0.88 0.00 0.54 1.81 -1.26 -5.12 118.95 120.86 1wwg s ARG 44 Ca 0.59 -1.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 1wwg s ARG 44 Cb 0.05 -0.93 0.00 0.00 -0.45 0.00 0.00 34.95 33.62 1wwg s ARG 44 CO 0.09 -1.33 0.00 0.41 -0.68 0.00 0.00 175.30 173.79 1wwg n GLY 45 N 3.17 1.79 3.70 -3.53 0.00 -1.26 -4.63 105.19 104.43 1wwg n GLY 45 Ca 0.23 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.35 4.40 0.46 1.61 0.04 -1.26 -5.02 135.00 133.89 1wwg s PRO 46 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wwg s PRO 46 Cb 0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1wwg s PRO 46 CO 0.00 -0.33 0.00 -2.13 0.04 0.00 0.00 177.00 174.58 1wwg n ARG 47 N 4.51 -3.39 -3.35 4.56 0.63 -1.26 -5.02 116.66 113.33 1wwg n ARG 47 Ca 0.10 2.61 -0.21 0.00 -0.92 0.00 0.00 57.85 59.42 1wwg n ARG 47 Cb 0.46 -3.19 0.02 0.00 0.45 0.00 0.00 32.46 30.21 1wwg n ARG 47 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1wwg s GLY 48 N -4.54 2.00 0.55 5.14 0.00 -1.26 -5.06 107.32 104.16 1wwg s GLY 48 Ca 0.00 -1.80 -0.17 0.00 0.00 0.00 0.00 44.72 42.75 1wwg s GLY 48 CO 0.00 -1.73 1.04 2.56 0.00 0.00 0.00 173.10 174.97 1wwg s PRO 49 N -4.43 3.53 0.11 2.90 0.04 -1.26 -5.07 135.00 130.83 1wwg s PRO 49 Ca 0.51 1.23 0.11 0.00 0.04 0.00 0.00 61.00 62.89 1wwg s PRO 49 Cb -0.05 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1wwg s PRO 49 CO 0.31 -0.64 -0.27 1.03 0.04 0.00 0.00 177.00 177.48 1wwg s ARG 50 N -3.81 1.48 0.87 4.56 1.81 -1.26 -5.14 118.95 117.46 1wwg s ARG 50 Ca 0.64 -1.30 -0.12 0.00 -1.72 0.00 0.00 55.73 53.23 1wwg s ARG 50 Cb -0.15 -1.91 0.11 0.00 -0.45 0.00 0.00 34.95 32.54 1wwg s ARG 50 CO 0.31 0.46 1.12 -1.25 -0.68 0.00 0.00 175.30 175.26 1wwg s PRO 51 N -1.89 1.52 0.04 3.54 0.04 -1.26 -4.80 135.00 132.19 1wwg s PRO 51 Ca 0.14 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1wwg s PRO 51 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wwg s PRO 51 CO 0.05 -1.97 0.00 1.04 0.04 0.00 0.00 177.00 176.16 1wwg n GLN 52 N -3.63 -4.24 -1.90 4.56 1.13 -1.26 -4.89 117.38 107.15 1wwg n GLN 52 Ca 0.07 3.16 -0.40 0.00 -1.94 0.00 0.00 57.00 57.88 1wwg n GLN 52 Cb 0.58 -3.84 0.00 0.00 0.11 0.00 0.00 30.24 27.10 1wwg n GLN 52 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1wwg s THR 53 N -0.47 2.27 -0.43 5.09 -1.32 -1.26 -4.81 115.64 114.70 1wwg s THR 53 Ca 0.00 0.25 -0.34 0.00 -1.21 0.00 0.00 61.69 60.40 1wwg s THR 53 Cb 0.00 -3.16 -0.12 0.00 -1.51 0.00 0.00 72.50 67.72 1wwg s THR 53 CO 0.00 0.05 2.27 -0.24 -2.21 0.00 0.00 174.62 174.49 1wwg n SER 54 N 0.26 1.95 -0.03 8.08 2.88 -1.26 -4.76 113.62 120.73 1wwg n SER 54 Ca 0.02 0.27 -0.03 0.00 -1.33 0.00 0.00 58.87 57.80 1wwg n SER 54 Cb 0.41 -1.26 -0.01 0.00 -0.75 0.00 0.00 64.21 62.60 1wwg n SER 54 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1wwg n LEU 55 N 10.66 0.94 0.00 2.46 7.94 -1.26 -5.31 117.00 132.42 1wwg n LEU 55 Ca 0.43 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 1wwg n LEU 55 Cb 0.25 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1wwg n LEU 55 CO 0.77 -0.46 0.13 0.18 -1.11 0.00 0.00 177.39 176.90