#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 -0.13 0.09 0.00 2.01 -1.26 -5.14 115.64 111.22 1wwg s THR 2 Ca 0.00 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1wwg s THR 2 Cb 0.00 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1wwg s THR 2 CO 0.00 0.11 -0.13 0.68 -0.69 0.00 0.00 174.62 174.59 1wwg s VAL 3 N 2.18 1.13 0.04 3.82 -7.23 -1.26 -5.05 120.40 114.03 1wwg s VAL 3 Ca 0.04 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1wwg s VAL 3 Cb -0.13 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 1wwg s VAL 3 CO -0.04 -0.38 -0.02 0.68 -0.31 0.00 0.00 175.10 175.03 1wwg s VAL 4 N -1.88 0.17 -0.09 1.32 -7.23 -1.26 -5.16 120.40 106.28 1wwg s VAL 4 Ca 0.03 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1wwg s VAL 4 Cb -0.06 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 1wwg s VAL 4 CO 0.02 -0.77 -0.01 -0.94 -0.31 0.00 0.00 175.10 173.09 1wwg s SER 5 N -2.29 5.12 0.30 4.85 1.04 -1.26 -5.12 113.70 116.34 1wwg s SER 5 Ca -0.03 0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.59 1wwg s SER 5 Cb 0.00 -1.44 -0.06 0.00 0.10 0.00 0.00 66.02 64.62 1wwg s SER 5 CO -0.06 0.36 -0.08 -0.83 0.98 0.00 0.00 173.24 173.61 1wwg s GLY 6 N -0.80 1.95 0.16 7.32 0.00 -1.26 -5.07 107.32 109.63 1wwg s GLY 6 Ca 0.12 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.88 1wwg s GLY 6 CO 0.02 -1.92 0.00 -0.18 0.00 0.00 0.00 173.10 171.02 1wwg n GLN 7 N -0.66 0.00 -2.91 2.90 -0.06 -1.26 -5.08 117.38 110.31 1wwg n GLN 7 Ca -0.05 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.90 1wwg n GLN 7 Cb 0.63 -0.31 0.02 0.00 -4.06 0.00 0.00 30.24 26.52 1wwg n GLN 7 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1wwg n LYS 8 N -3.46 -1.43 -2.81 3.69 5.02 -1.26 -5.02 118.16 112.89 1wwg n LYS 8 Ca 0.00 1.15 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 1wwg n LYS 8 Cb 0.02 -5.23 0.01 0.00 -0.02 0.00 0.00 35.03 29.81 1wwg n LYS 8 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wwg s GLN 9 N -3.43 0.32 -0.32 1.97 -0.21 -1.26 -5.11 119.66 111.62 1wwg s GLN 9 Ca 0.14 -0.17 -0.05 0.00 0.02 0.00 0.00 55.36 55.30 1wwg s GLN 9 Cb -0.02 0.02 0.19 0.00 1.00 0.00 0.00 33.01 34.20 1wwg s GLN 9 CO 0.65 -0.44 0.91 0.34 -2.12 0.00 0.00 175.29 174.62 1wwg s ASP 10 N 1.69 -0.76 0.71 5.90 -1.08 -1.26 -5.31 116.67 116.56 1wwg s ASP 10 Ca 0.17 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 1wwg s ASP 10 Cb 0.04 1.26 0.00 0.00 -1.46 0.00 0.00 42.92 42.76 1wwg s ASP 10 CO -0.12 -0.12 0.00 -1.14 0.52 0.00 0.00 175.17 174.31 1wwg n ARG 11 N 4.67 0.00 -3.68 4.34 0.63 -1.26 -5.29 116.66 116.07 1wwg n ARG 11 Ca 0.08 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.90 1wwg n ARG 11 Cb 0.59 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.44 1wwg n ARG 11 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1wwg s GLN 12 N 0.00 0.95 0.00 -0.14 -0.44 -1.26 -5.16 119.66 113.62 1wwg s GLN 12 Ca 0.00 -0.58 0.00 0.00 -2.50 0.00 0.00 55.36 52.28 1wwg s GLN 12 Cb 0.00 0.42 0.00 0.00 -1.64 0.00 0.00 33.01 31.79 1wwg s GLN 12 CO 0.00 -0.34 0.00 0.41 0.50 0.00 0.00 175.29 175.86 1wwg n GLY 13 N 0.17 2.07 0.00 2.59 0.00 -1.26 -5.15 105.19 103.62 1wwg n GLY 13 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 4.59 -1.75 3.64 -0.02 0.00 -1.26 -5.10 105.19 105.29 1wwg n GLY 14 Ca 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 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 -5.63 0.61 -0.56 1.61 1.03 -1.26 -5.01 118.70 109.49 1wwg s GLU 15 Ca 0.00 1.31 -0.24 0.00 0.03 0.00 0.00 54.97 56.07 1wwg s GLU 15 Cb 0.00 0.54 0.04 0.00 -0.80 0.00 0.00 34.13 33.91 1wwg s GLU 15 CO 0.00 -0.17 0.64 0.54 -1.33 0.00 0.00 175.26 174.94 1wwg n ARG 16 N 4.92 -1.87 -3.24 -4.83 5.12 -1.26 -5.00 116.66 110.50 1wwg n ARG 16 Ca -0.15 1.39 0.04 0.00 -1.93 0.00 0.00 57.85 57.19 1wwg n ARG 16 Cb 0.53 -2.93 -0.03 0.00 -1.16 0.00 0.00 32.46 28.88 1wwg n ARG 16 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1wwg s ARG 17 N -3.11 0.21 -0.41 5.56 6.06 -1.26 -5.06 118.95 120.95 1wwg s ARG 17 Ca 0.25 0.45 0.09 0.00 -2.50 0.00 0.00 55.73 54.01 1wwg s ARG 17 Cb -0.03 0.26 0.43 0.00 0.06 0.00 0.00 34.95 35.67 1wwg s ARG 17 CO 0.86 -0.15 1.06 0.54 -2.50 0.00 0.00 175.30 175.11 1wwg n ARG 18 N 5.16 2.79 -3.97 5.12 1.74 -1.26 -4.94 116.66 121.29 1wwg n ARG 18 Ca -0.07 -4.16 -0.35 0.00 -0.77 0.00 0.00 57.85 52.49 1wwg n ARG 18 Cb 0.54 -1.97 -0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 -0.36 -2.73 -4.34 0.55 7.64 -1.26 0.34 113.62 113.45 1wwg n SER 19 Ca 0.31 -1.14 -0.37 0.00 1.01 0.00 0.00 58.87 58.67 1wwg n SER 19 Cb 0.70 -2.50 -0.06 0.00 -1.01 0.00 0.00 64.21 61.34 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 -4.57 -1.85 -1.49 1.43 1.13 -1.26 -4.54 117.38 106.23 1wwg n GLN 20 Ca -0.19 0.24 -0.37 0.00 -1.94 0.00 0.00 57.00 54.74 1wwg n GLN 20 Cb 0.62 -4.63 -0.16 0.00 0.11 0.00 0.00 30.24 26.18 1wwg n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1wwg n LEU 21 N -4.30 -0.03 -4.80 1.08 0.00 0.15 -4.82 117.00 104.28 1wwg n LEU 21 Ca -0.02 0.05 -0.33 0.00 0.00 0.00 0.00 56.01 55.72 1wwg n LEU 21 Cb 0.53 -0.84 0.01 0.00 0.00 0.00 0.00 43.42 43.12 1wwg n LEU 21 CO 0.89 -0.84 0.72 -0.62 0.00 0.00 0.00 177.39 177.54 1wwg s ASP 22 N 7.33 5.75 0.00 1.96 -1.08 -1.26 -4.89 116.67 124.47 1wwg s ASP 22 Ca 1.34 1.83 0.13 0.00 -0.52 0.00 0.00 52.55 55.33 1wwg s ASP 22 Cb -1.18 -2.53 0.78 0.00 -1.46 0.00 0.00 42.92 38.53 1wwg s ASP 22 CO 0.50 -1.19 1.22 0.54 0.52 0.00 0.00 175.17 176.76 1wwg n ARG 23 N -2.05 0.57 -0.39 4.34 5.12 -1.26 -1.60 116.66 121.39 1wwg n ARG 23 Ca 0.09 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 56.02 1wwg n ARG 23 Cb 0.53 -1.36 0.02 0.00 -1.16 0.00 0.00 32.46 30.49 1wwg n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1wwg n ASP 24 N -0.86 0.35 -4.15 0.55 5.68 -1.26 -5.04 116.55 111.82 1wwg n ASP 24 Ca 0.10 -2.06 -0.33 0.00 -0.50 0.00 0.00 54.79 52.00 1wwg n ASP 24 Cb 0.04 -0.21 -0.16 0.00 -1.14 0.00 0.00 41.12 39.65 1wwg n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1wwg s GLN 25 N -0.40 3.02 0.92 0.11 1.11 -0.63 -1.52 119.66 122.27 1wwg s GLN 25 Ca 0.04 -0.83 -0.12 0.00 0.01 0.00 0.00 55.36 54.46 1wwg s GLN 25 Cb 0.04 -2.54 0.06 0.00 -1.01 0.00 0.00 33.01 29.56 1wwg s GLN 25 CO 0.00 -0.13 0.62 0.00 0.01 0.00 0.00 175.29 175.80 1wwg n ALA 27 N -3.64 1.82 0.14 0.00 0.00 -1.26 -3.56 120.51 114.01 1wwg n ALA 27 Ca 0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.81 1wwg n ALA 27 Cb 0.53 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1wwg n ALA 27 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wwg h TYR 28 N 0.00 -0.35 0.07 0.00 5.03 -1.92 -3.39 116.97 116.42 1wwg h TYR 28 Ca -0.25 -0.01 -0.28 0.00 2.58 0.00 0.00 58.73 60.77 1wwg h TYR 28 Cb 1.52 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 39.90 1wwg h TYR 28 CO 0.00 -0.22 -1.47 0.00 -1.32 0.00 0.00 178.16 175.15 1wwg n LYS 30 N -4.01 0.00 -4.13 0.00 4.81 -1.23 -5.05 118.16 108.55 1wwg n LYS 30 Ca -0.29 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 56.81 1wwg n LYS 30 Cb 0.85 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.80 1wwg n LYS 30 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1wwg s GLU 31 N -0.65 3.87 0.12 1.64 8.01 -1.26 -4.68 118.70 125.76 1wwg s GLU 31 Ca 0.00 -0.40 -0.30 0.00 0.01 0.00 0.00 54.97 54.28 1wwg s GLU 31 Cb 0.00 -3.11 -0.06 0.00 -4.31 0.00 0.00 34.13 26.64 1wwg s GLU 31 CO 0.00 0.27 1.11 -1.59 0.01 0.00 0.00 175.26 175.06 1wwg s LYS 32 N 0.34 4.55 0.00 1.61 0.00 -1.26 -1.51 119.74 123.47 1wwg s LYS 32 Ca 0.01 1.68 0.00 0.00 0.00 0.00 0.00 55.97 57.66 1wwg s LYS 32 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 37.83 34.38 1wwg s LYS 32 CO 0.01 -0.03 0.00 0.41 0.00 0.00 0.00 175.35 175.73 1wwg n GLY 33 N 2.52 4.04 3.72 0.59 0.00 -0.58 -4.96 105.19 110.52 1wwg n GLY 33 Ca 0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 2.09 0.31 1.61 -3.43 -1.25 -5.03 115.29 109.59 1wwg s HIS 34 Ca 0.00 -0.85 0.08 0.00 -0.80 0.00 0.00 55.06 53.49 1wwg s HIS 34 Cb 0.00 -1.68 -0.04 0.00 -1.43 0.00 0.00 32.58 29.43 1wwg s HIS 34 CO 0.00 0.29 0.11 -1.58 -2.00 0.00 0.00 174.74 171.56 1wwg s TRP 35 N -2.81 2.76 0.28 0.38 0.52 -1.26 -2.94 118.94 115.87 1wwg s TRP 35 Ca 0.17 -0.29 -0.02 0.00 0.02 0.00 0.00 56.10 55.98 1wwg s TRP 35 Cb 0.04 -1.48 0.43 0.00 -1.15 0.00 0.00 33.47 31.32 1wwg s TRP 35 CO 0.09 0.44 1.90 0.00 0.02 0.00 0.00 176.95 179.40 1wwg h ALA 36 N 1.63 1.42 0.00 0.98 0.00 -1.91 0.66 119.26 122.04 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 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wwg h ALA 36 CO 0.62 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.94 1wwg n LYS 37 N -4.48 0.01 -1.14 0.00 4.01 -1.26 -1.26 118.16 114.05 1wwg n LYS 37 Ca 0.14 0.38 0.05 0.00 -0.51 0.00 0.00 58.31 58.37 1wwg n LYS 37 Cb 0.16 -1.54 0.10 0.00 -0.51 0.00 0.00 35.03 33.24 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 -1.56 1.28 -4.70 4.39 2.03 0.20 -5.07 116.55 113.12 1wwg n ASP 38 Ca 0.02 -2.76 -0.42 0.00 0.52 0.00 0.00 54.79 52.14 1wwg n ASP 38 Cb 0.09 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 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 4.69 0.75 0.11 0.00 -0.04 -1.26 -2.18 135.00 137.06 1wwg n PRO 40 Ca 0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1wwg n PRO 40 Cb 0.44 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -5.59 0.54 3.64 -1.96 -3.46 116.57 109.74 1wwg h LYS 41 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1wwg h LYS 41 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1wwg h LYS 41 CO 0.00 0.07 1.56 1.63 -2.27 0.00 0.00 179.45 180.44 1wwg n LYS 42 N -2.79 0.53 -1.57 1.90 5.02 -0.93 -4.88 118.16 115.45 1wwg n LYS 42 Ca -0.01 0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 1wwg n LYS 42 Cb 0.61 -2.17 0.08 0.00 -0.02 0.00 0.00 35.03 33.53 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 7.49 2.39 -0.52 1.97 0.04 -1.26 -5.04 135.00 140.07 1wwg s PRO 43 Ca 1.18 0.74 0.04 0.00 0.04 0.00 0.00 61.00 63.00 1wwg s PRO 43 Cb -0.97 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 31.79 1wwg s PRO 43 CO 0.48 -1.43 0.36 1.03 0.04 0.00 0.00 177.00 177.48 1wwg s ARG 44 N -5.12 1.54 0.30 4.56 1.81 -1.26 -5.09 118.95 115.68 1wwg s ARG 44 Ca 0.60 -2.50 0.00 0.00 -1.72 0.00 0.00 55.73 52.11 1wwg s ARG 44 Cb -0.14 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.01 1wwg s ARG 44 CO 0.54 -1.29 0.00 0.41 -0.68 0.00 0.00 175.30 174.28 1wwg n GLY 45 N 2.75 -2.03 3.80 -3.53 0.00 -1.26 -4.98 105.19 99.93 1wwg n GLY 45 Ca 0.20 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.33 1.55 0.28 1.61 0.04 -1.26 -5.13 135.00 129.76 1wwg s PRO 46 Ca 0.00 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.26 1wwg s PRO 46 Cb 0.00 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1wwg s PRO 46 CO 0.00 -1.94 0.81 1.03 0.04 0.00 0.00 177.00 176.93 1wwg s ARG 47 N -5.23 4.33 0.00 4.56 0.52 -1.26 -4.85 118.95 117.01 1wwg s ARG 47 Ca 0.62 1.01 0.00 0.00 -0.52 0.00 0.00 55.73 56.84 1wwg s ARG 47 Cb -0.15 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1wwg s ARG 47 CO 0.54 0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.57 1wwg n GLY 48 N 0.47 1.03 3.55 -3.53 0.00 -1.26 -5.01 105.19 100.44 1wwg n GLY 48 Ca 0.00 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.28 2.96 0.27 1.61 0.04 -1.26 -4.61 135.00 133.73 1wwg s PRO 49 Ca 0.00 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1wwg s PRO 49 Cb 0.00 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1wwg s PRO 49 CO 0.00 -2.52 0.00 0.54 0.04 0.00 0.00 177.00 175.06 1wwg n ARG 50 N 9.18 -5.53 -1.08 4.56 1.74 -1.26 -4.58 116.66 119.69 1wwg n ARG 50 Ca 0.18 3.94 -0.32 0.00 -0.77 0.00 0.00 57.85 60.87 1wwg n ARG 50 Cb 0.50 -4.26 -0.02 0.00 -1.02 0.00 0.00 32.46 27.65 1wwg n ARG 50 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wwg n PRO 51 N 1.48 2.63 -4.24 5.56 -0.04 -1.26 -4.83 135.00 134.31 1wwg n PRO 51 Ca 0.00 -1.87 -0.20 0.00 -0.04 0.00 0.00 63.50 61.38 1wwg n PRO 51 Cb 0.00 -2.71 -0.12 0.00 -0.04 0.00 0.00 33.50 30.63 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 3.17 1.00 0.07 0.54 -0.21 -1.26 -5.10 119.66 117.87 1wwg s GLN 52 Ca 0.52 -1.12 -0.30 0.00 0.02 0.00 0.00 55.36 54.48 1wwg s GLN 52 Cb 0.14 -1.08 -0.09 0.00 1.00 0.00 0.00 33.01 32.97 1wwg s GLN 52 CO -0.03 0.24 1.93 -0.08 -2.12 0.00 0.00 175.29 175.23 1wwg s THR 53 N -1.47 2.84 0.38 -0.19 -1.32 -1.26 -4.97 115.64 109.65 1wwg s THR 53 Ca 0.04 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.58 1wwg s THR 53 Cb -0.09 -3.01 -0.06 0.00 -1.51 0.00 0.00 72.50 67.84 1wwg s THR 53 CO 0.03 -0.00 0.05 -0.44 -2.21 0.00 0.00 174.62 172.06 1wwg s SER 54 N 3.92 2.97 0.53 8.08 0.01 -1.26 -5.08 113.70 122.86 1wwg s SER 54 Ca 0.86 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wwg s SER 54 Cb -0.44 0.01 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1wwg s SER 54 CO 0.40 -0.65 0.00 0.18 0.41 0.00 0.00 173.24 173.58 1wwg n LEU 55 N -0.85 -0.91 0.00 2.44 4.77 -1.26 -5.30 117.00 115.88 1wwg n LEU 55 Ca -0.05 2.11 0.00 0.00 -0.03 0.00 0.00 56.01 58.04 1wwg n LEU 55 Cb 0.66 -3.83 0.00 0.00 -2.33 0.00 0.00 43.42 37.93 1wwg n LEU 55 CO 0.42 -2.48 0.00 -0.11 -1.33 0.00 0.00 177.39 173.90