#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 3.20 0.28 0.00 2.01 -1.26 -5.07 115.64 114.80 1wwg s THR 2 Ca 0.00 -1.49 0.03 0.00 0.31 0.00 0.00 61.69 60.54 1wwg s THR 2 Cb 0.00 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1wwg s THR 2 CO 0.00 -0.25 0.16 0.68 -0.69 0.00 0.00 174.62 174.53 1wwg s VAL 3 N 1.25 0.22 0.08 3.82 -7.23 -1.26 -5.16 120.40 112.13 1wwg s VAL 3 Ca -0.02 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1wwg s VAL 3 Cb -0.20 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1wwg s VAL 3 CO -0.01 0.00 0.04 0.54 -0.31 0.00 0.00 175.10 175.36 1wwg s VAL 4 N -3.72 4.28 0.20 1.32 0.11 -1.26 -5.12 120.40 116.20 1wwg s VAL 4 Ca 0.37 -0.86 -0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1wwg s VAL 4 Cb 0.05 -3.04 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 1wwg s VAL 4 CO 0.17 0.14 0.25 -0.55 -3.33 0.00 0.00 175.10 171.78 1wwg s SER 5 N -2.31 0.08 0.00 3.54 0.15 -1.26 -5.17 113.70 108.73 1wwg s SER 5 Ca 0.27 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1wwg s SER 5 Cb -0.12 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1wwg s SER 5 CO 0.20 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1wwg n GLY 6 N -0.27 3.82 3.44 9.45 0.00 -1.26 -5.09 105.19 115.28 1wwg n GLY 6 Ca -0.02 -0.30 -0.53 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.98 0.91 -3.26 1.61 3.00 -1.26 -4.85 117.38 112.56 1wwg n GLN 7 Ca 0.00 0.26 -0.25 0.00 -0.01 0.00 0.00 57.00 57.00 1wwg n GLN 7 Cb 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 30.24 27.91 1wwg n GLN 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1wwg n LYS 8 N 7.82 1.57 -1.55 -1.09 4.81 -1.26 -5.06 118.16 123.41 1wwg n LYS 8 Ca 0.42 -3.88 -0.31 0.00 -0.87 0.00 0.00 58.31 53.67 1wwg n LYS 8 Cb 0.17 -1.71 -0.05 0.00 0.02 0.00 0.00 35.03 33.47 1wwg n LYS 8 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1wwg n GLN 9 N 0.98 0.86 -3.65 1.64 3.00 -1.26 -4.82 117.38 114.13 1wwg n GLN 9 Ca 0.25 -0.19 -0.07 0.00 -0.01 0.00 0.00 57.00 56.98 1wwg n GLN 9 Cb 0.49 -3.35 -0.02 0.00 0.00 0.00 0.00 30.24 27.36 1wwg n GLN 9 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1wwg s ASP 10 N 11.59 -0.33 -0.32 1.08 1.47 -1.26 -5.14 116.67 123.77 1wwg s ASP 10 Ca 1.00 -0.27 -0.09 0.00 1.18 0.00 0.00 52.55 54.37 1wwg s ASP 10 Cb -0.24 0.55 0.01 0.00 -0.34 0.00 0.00 42.92 42.89 1wwg s ASP 10 CO 0.24 -0.96 0.14 -0.60 0.68 0.00 0.00 175.17 174.67 1wwg s ARG 11 N -3.50 3.15 -0.16 2.11 3.52 -1.26 -5.06 118.95 117.75 1wwg s ARG 11 Ca 0.08 -0.84 -0.14 0.00 -0.13 0.00 0.00 55.73 54.70 1wwg s ARG 11 Cb -0.02 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1wwg s ARG 11 CO -0.03 -0.48 0.43 -1.14 -0.81 0.00 0.00 175.30 173.27 1wwg s GLN 12 N 1.56 0.49 0.00 5.12 -0.44 -1.26 -5.15 119.66 119.98 1wwg s GLN 12 Ca 0.03 0.61 0.00 0.00 -2.50 0.00 0.00 55.36 53.51 1wwg s GLN 12 Cb -0.18 0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.41 1wwg s GLN 12 CO 0.05 -0.07 0.00 0.41 0.50 0.00 0.00 175.29 176.18 1wwg n GLY 13 N 2.99 4.10 0.00 2.59 0.00 -1.26 -5.19 105.19 108.41 1wwg n GLY 13 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.40 0.46 3.79 -0.02 0.00 -1.26 -5.11 105.19 101.65 1wwg n GLY 14 Ca 0.00 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.72 4.06 -0.32 1.61 2.02 -1.26 -5.03 118.70 118.06 1wwg s GLU 15 Ca 0.00 1.43 -0.01 0.00 0.02 0.00 0.00 54.97 56.41 1wwg s GLU 15 Cb 0.00 -2.37 0.07 0.00 0.10 0.00 0.00 34.13 31.93 1wwg s GLU 15 CO 0.00 -0.22 0.02 1.03 0.02 0.00 0.00 175.26 176.11 1wwg s ARG 16 N -2.78 2.23 -0.27 1.61 0.52 -1.26 -5.05 118.95 113.94 1wwg s ARG 16 Ca 0.61 -1.44 -0.34 0.00 -0.52 0.00 0.00 55.73 54.05 1wwg s ARG 16 Cb -0.19 -3.21 0.17 0.00 0.52 0.00 0.00 34.95 32.24 1wwg s ARG 16 CO 0.24 -0.72 1.34 -0.98 0.02 0.00 0.00 175.30 175.20 1wwg s ARG 17 N 1.17 0.09 -0.46 3.54 3.03 -1.26 -5.07 118.95 120.00 1wwg s ARG 17 Ca -0.02 -0.01 0.09 0.00 2.03 0.00 0.00 55.73 57.82 1wwg s ARG 17 Cb -0.20 0.04 0.37 0.00 -1.03 0.00 0.00 34.95 34.13 1wwg s ARG 17 CO -0.03 -0.04 0.90 0.54 -1.13 0.00 0.00 175.30 175.54 1wwg n ARG 18 N 0.22 2.26 -3.95 3.89 1.74 -1.26 -4.93 116.66 114.63 1wwg n ARG 18 Ca 0.02 -4.12 -0.31 0.00 -0.77 0.00 0.00 57.85 52.67 1wwg n ARG 18 Cb 0.58 -1.94 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1wwg n ARG 18 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wwg n SER 19 N -0.08 -1.99 -4.28 0.55 7.64 -1.26 0.30 113.62 114.49 1wwg n SER 19 Ca 0.27 -1.09 -0.37 0.00 1.01 0.00 0.00 58.87 58.69 1wwg n SER 19 Cb 0.57 -2.74 -0.04 0.00 -1.01 0.00 0.00 64.21 61.00 1wwg n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wwg n GLN 20 N -4.47 -2.59 -1.39 1.43 6.02 -1.26 -4.68 117.38 110.44 1wwg n GLN 20 Ca -0.23 0.32 -0.53 0.00 -0.01 0.00 0.00 57.00 56.55 1wwg n GLN 20 Cb 0.65 -4.94 -0.09 0.00 1.02 0.00 0.00 30.24 26.88 1wwg n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wwg n LEU 21 N -4.33 1.64 -4.80 1.08 0.00 0.15 -4.88 117.00 105.86 1wwg n LEU 21 Ca 0.05 0.45 -0.35 0.00 0.00 0.00 0.00 56.01 56.17 1wwg n LEU 21 Cb 0.50 -1.15 -0.05 0.00 0.00 0.00 0.00 43.42 42.73 1wwg n LEU 21 CO 0.88 -0.77 0.70 -0.62 0.00 0.00 0.00 177.39 177.58 1wwg s ASP 22 N 7.14 6.65 0.00 1.96 2.15 -1.26 -4.90 116.67 128.41 1wwg s ASP 22 Ca 1.14 1.89 0.11 0.00 0.43 0.00 0.00 52.55 56.11 1wwg s ASP 22 Cb -1.05 -2.56 0.53 0.00 -0.30 0.00 0.00 42.92 39.54 1wwg s ASP 22 CO 0.53 -0.56 1.23 0.54 -0.17 0.00 0.00 175.17 176.74 1wwg n ARG 23 N -0.58 0.15 -0.99 4.34 5.12 -1.26 -1.31 116.66 122.13 1wwg n ARG 23 Ca 0.07 0.19 0.05 0.00 -1.93 0.00 0.00 57.85 56.23 1wwg n ARG 23 Cb 0.52 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.42 1wwg n ARG 23 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wwg n ASP 24 N -1.28 1.28 -4.89 0.55 9.92 -1.26 -5.07 116.55 115.80 1wwg n ASP 24 Ca 0.05 -2.81 -0.27 0.00 -0.53 0.00 0.00 54.79 51.23 1wwg n ASP 24 Cb 0.08 -0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 40.16 1wwg n ASP 24 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1wwg s GLN 25 N -1.44 2.24 -0.10 -1.24 -0.21 -0.43 0.09 119.66 118.57 1wwg s GLN 25 Ca 0.33 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.63 1wwg s GLN 25 Cb 0.35 -2.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.32 1wwg s GLN 25 CO -0.11 -0.60 -0.09 0.00 -2.12 0.00 0.00 175.29 172.38 1wwg n ALA 27 N 2.86 5.69 0.07 0.00 0.00 -1.26 -2.85 120.51 125.03 1wwg n ALA 27 Ca -0.18 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1wwg n ALA 27 Cb 0.53 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.90 -1.07 0.03 0.00 4.19 -1.26 -4.87 117.16 113.28 1wwg n TYR 28 Ca 0.56 0.19 0.04 0.00 3.31 0.00 0.00 57.90 62.01 1wwg n TYR 28 Cb 1.20 0.36 -0.09 0.00 0.49 0.00 0.00 39.34 41.31 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 -2.69 0.00 -2.00 0.00 4.81 -1.13 -5.07 118.16 112.08 1wwg n LYS 30 Ca -0.08 0.15 -0.29 0.00 -0.87 0.00 0.00 58.31 57.22 1wwg n LYS 30 Cb 0.74 -2.02 0.06 0.00 0.02 0.00 0.00 35.03 33.83 1wwg n LYS 30 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1wwg s GLU 31 N -1.75 2.53 -0.28 1.64 -6.30 -1.25 -4.73 118.70 108.55 1wwg s GLU 31 Ca 0.00 0.21 0.03 0.00 -2.50 0.00 0.00 54.97 52.71 1wwg s GLU 31 Cb 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 34.13 32.15 1wwg s GLU 31 CO 0.00 -1.18 -0.06 0.21 0.02 0.00 0.00 175.26 174.25 1wwg s LYS 32 N -5.36 1.99 0.00 4.30 2.20 -1.26 0.64 119.74 122.25 1wwg s LYS 32 Ca 0.59 -1.48 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 1wwg s LYS 32 Cb -0.11 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1wwg s LYS 32 CO 0.49 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1wwg n GLY 33 N 4.39 2.14 3.89 5.54 0.00 0.11 -4.97 105.19 116.30 1wwg n GLY 33 Ca -0.09 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 1.92 0.34 1.61 -3.43 -1.26 -4.83 115.29 109.64 1wwg s HIS 34 Ca 0.00 -0.74 0.08 0.00 -0.80 0.00 0.00 55.06 53.60 1wwg s HIS 34 Cb 0.00 -1.98 -0.04 0.00 -1.43 0.00 0.00 32.58 29.12 1wwg s HIS 34 CO 0.00 -0.38 0.11 -1.58 -2.00 0.00 0.00 174.74 170.90 1wwg s TRP 35 N -2.69 2.68 0.34 0.38 0.52 -1.26 -2.30 118.94 116.61 1wwg s TRP 35 Ca 0.39 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 56.15 1wwg s TRP 35 Cb -0.02 -1.60 0.64 0.00 -1.15 0.00 0.00 33.47 31.34 1wwg s TRP 35 CO 0.23 0.38 1.97 0.00 0.02 0.00 0.00 176.95 179.55 1wwg h ALA 36 N 1.61 1.58 0.00 0.98 0.00 -1.88 0.53 119.26 122.08 1wwg h ALA 36 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wwg h ALA 36 Cb 1.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wwg h ALA 36 CO 0.64 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.86 1wwg n LYS 37 N -4.46 0.04 -1.72 0.00 4.76 -1.26 -1.40 118.16 114.12 1wwg n LYS 37 Ca 0.09 0.43 0.01 0.00 -2.87 0.00 0.00 58.31 55.97 1wwg n LYS 37 Cb 0.13 -1.61 0.06 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.70 1.66 -4.71 4.39 -0.08 0.16 -5.07 116.55 111.21 1wwg n ASP 38 Ca 0.01 -2.53 -0.42 0.00 -1.51 0.00 0.00 54.79 50.34 1wwg n ASP 38 Cb 0.09 -0.39 -0.03 0.00 2.34 0.00 0.00 41.12 43.13 1wwg n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wwg n PRO 40 N 4.18 0.75 0.02 0.00 -0.04 -1.26 -1.96 135.00 136.69 1wwg n PRO 40 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1wwg n PRO 40 Cb 0.47 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1wwg n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wwg n LYS 41 N -0.98 0.25 -1.49 0.54 5.02 -1.26 -4.96 118.16 115.28 1wwg n LYS 41 Ca 0.17 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.07 1wwg n LYS 41 Cb 0.08 -1.56 0.05 0.00 -0.02 0.00 0.00 35.03 33.58 1wwg n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wwg n LYS 42 N -1.86 0.61 -1.28 1.97 5.02 -0.83 -4.98 118.16 116.82 1wwg n LYS 42 Ca 0.02 0.25 -0.26 0.00 -2.02 0.00 0.00 58.31 56.30 1wwg n LYS 42 Cb 0.42 -1.93 0.20 0.00 -0.02 0.00 0.00 35.03 33.69 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 -0.67 -1.99 -1.62 1.97 -0.04 -1.26 -4.89 135.00 126.49 1wwg n PRO 43 Ca 0.12 -1.65 -0.48 0.00 -0.04 0.00 0.00 63.50 61.45 1wwg n PRO 43 Cb 0.48 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1wwg n PRO 43 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wwg n ARG 44 N -3.92 1.94 -3.69 0.54 1.74 -1.26 -4.91 116.66 107.10 1wwg n ARG 44 Ca 0.14 0.66 -0.12 0.00 -0.77 0.00 0.00 57.85 57.76 1wwg n ARG 44 Cb 0.51 -2.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.22 1wwg n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wwg n GLY 45 N 5.06 1.88 0.11 -0.13 0.00 -1.26 -4.79 105.19 106.06 1wwg n GLY 45 Ca 0.27 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1wwg n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwg h PRO 46 N 0.00 -0.14 -2.47 1.61 0.13 -2.04 -3.49 132.00 125.59 1wwg h PRO 46 Ca -0.26 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.98 1wwg h PRO 46 Cb 1.09 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.13 1wwg h PRO 46 CO 0.35 0.33 0.42 1.03 -0.23 0.00 0.00 178.00 179.91 1wwg s ARG 47 N -2.98 1.05 0.00 0.86 1.81 -1.26 -5.14 118.95 113.29 1wwg s ARG 47 Ca -0.12 -0.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 1wwg s ARG 47 Cb -0.00 0.44 0.00 0.00 -0.45 0.00 0.00 34.95 34.94 1wwg s ARG 47 CO 0.45 -0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.02 1wwg n GLY 48 N -0.34 -0.65 3.72 -3.53 0.00 -1.26 -4.81 105.19 98.33 1wwg n GLY 48 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 4.50 -0.92 1.61 0.04 -1.26 -4.84 135.00 134.13 1wwg s PRO 49 Ca 0.00 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1wwg s PRO 49 Cb 0.00 -3.32 -0.21 0.00 0.04 0.00 0.00 34.50 31.00 1wwg s PRO 49 CO 0.00 -0.12 2.43 -2.13 0.04 0.00 0.00 177.00 177.23 1wwg n ARG 50 N 3.29 0.00 -1.62 4.56 3.00 -1.26 -4.70 116.66 119.93 1wwg n ARG 50 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.50 1wwg n ARG 50 Cb 0.47 -1.33 -0.03 0.00 0.00 0.00 0.00 32.46 31.56 1wwg n ARG 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1wwg n PRO 51 N 7.54 2.19 -3.53 -0.14 -0.04 -1.26 -4.51 135.00 135.26 1wwg n PRO 51 Ca 0.61 -2.35 -0.32 0.00 -0.04 0.00 0.00 63.50 61.40 1wwg n PRO 51 Cb 0.04 -3.21 0.03 0.00 -0.04 0.00 0.00 33.50 30.32 1wwg n PRO 51 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wwg n GLN 52 N 6.97 -1.85 0.22 0.54 7.27 -1.26 -4.79 117.38 124.48 1wwg n GLN 52 Ca 0.50 1.30 0.16 0.00 0.07 0.00 0.00 57.00 59.03 1wwg n GLN 52 Cb 0.41 -2.46 0.67 0.00 2.41 0.00 0.00 30.24 31.26 1wwg n GLN 52 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wwg h THR 53 N 1.42 0.00 -2.48 1.69 1.03 -1.97 -3.38 112.91 109.21 1wwg h THR 53 Ca -0.53 -0.33 -0.62 0.00 -0.01 0.00 0.00 66.41 64.92 1wwg h THR 53 Cb 1.37 1.20 -0.14 0.00 -1.07 0.00 0.00 68.15 69.51 1wwg h THR 53 CO 0.27 0.00 0.72 -0.55 -0.01 0.00 0.00 175.52 175.95 1wwg s SER 54 N -5.02 6.25 -0.08 0.00 0.15 -1.26 -4.96 113.70 108.77 1wwg s SER 54 Ca 0.01 -1.07 -0.04 0.00 0.70 0.00 0.00 55.95 55.56 1wwg s SER 54 Cb 0.09 -2.45 0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1wwg s SER 54 CO 0.45 -1.46 0.19 -0.22 1.20 0.00 0.00 173.24 173.40 1wwg s LEU 55 N 4.21 0.44 0.00 3.45 2.96 -1.26 -5.22 118.68 123.27 1wwg s LEU 55 Ca 0.27 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1wwg s LEU 55 Cb -0.13 0.48 0.02 0.00 0.50 0.00 0.00 46.19 47.06 1wwg s LEU 55 CO 0.07 -0.17 0.52 0.18 -1.32 0.00 0.00 176.35 175.62