#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwd s THR 2 N 0.00 1.77 -0.13 0.00 -4.23 -1.26 -5.15 115.64 106.65 1wwd s THR 2 Ca 0.00 -2.16 -0.06 0.00 -1.18 0.00 0.00 61.69 58.29 1wwd s THR 2 Cb 0.00 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.89 1wwd s THR 2 CO 0.00 -0.54 0.29 0.54 -0.54 0.00 0.00 174.62 174.37 1wwd s VAL 3 N -2.78 -0.20 0.00 2.29 0.11 -1.26 -5.02 120.40 113.54 1wwd s VAL 3 Ca 0.21 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1wwd s VAL 3 Cb -0.02 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1wwd s VAL 3 CO 0.07 0.08 0.00 0.55 -3.33 0.00 0.00 175.10 172.47 1wwd n VAL 4 N 4.68 0.00 -2.06 2.04 3.14 -1.26 -5.04 118.33 119.83 1wwd n VAL 4 Ca -0.18 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.78 1wwd n VAL 4 Cb 0.52 -0.69 -0.03 0.00 -1.06 0.00 0.00 33.84 32.58 1wwd n VAL 4 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1wwd s SER 5 N -4.80 6.41 0.00 6.55 0.15 -1.26 -4.97 113.70 115.78 1wwd s SER 5 Ca 0.00 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1wwd s SER 5 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wwd s SER 5 CO 0.00 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 173.84 1wwd n GLY 6 N 4.58 0.26 2.19 9.45 0.00 -1.26 -5.07 105.19 115.33 1wwd n GLY 6 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1wwd n GLY 6 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wwd n GLN 7 N 0.00 0.00 -3.74 1.61 7.27 -1.26 -5.08 117.38 116.18 1wwd n GLN 7 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1wwd n GLN 7 Cb 0.00 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 1wwd n GLN 7 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1wwd s LYS 8 N -1.89 2.94 0.31 3.69 1.02 -1.26 -4.96 119.74 119.59 1wwd s LYS 8 Ca 0.00 -0.96 0.05 0.00 0.02 0.00 0.00 55.97 55.08 1wwd s LYS 8 Cb 0.00 -3.44 0.69 0.00 -0.52 0.00 0.00 37.83 34.55 1wwd s LYS 8 CO 0.00 -0.53 1.82 -0.56 -0.92 0.00 0.00 175.35 175.16 1wwd h GLN 9 N 8.26 0.81 -5.04 1.68 -0.00 -2.04 -3.47 115.11 115.30 1wwd h GLN 9 Ca -0.28 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.32 1wwd h GLN 9 Cb 1.11 -0.18 -0.11 0.00 -0.00 0.00 0.00 27.48 28.29 1wwd h GLN 9 CO 0.61 0.54 -1.51 -3.47 -0.00 0.00 0.00 178.83 175.00 1wwd n ASP 10 N -4.66 -1.62 -4.79 0.06 4.64 -1.26 -4.95 116.55 103.97 1wwd n ASP 10 Ca 0.21 1.37 -0.37 0.00 -1.38 0.00 0.00 54.79 54.61 1wwd n ASP 10 Cb 0.47 -5.26 -0.06 0.00 -1.04 0.00 0.00 41.12 35.23 1wwd n ASP 10 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 1wwd s ARG 11 N -0.82 4.52 -0.03 -0.67 3.52 -1.26 -5.01 118.95 119.19 1wwd s ARG 11 Ca -0.24 1.19 -0.03 0.00 -0.13 0.00 0.00 55.73 56.52 1wwd s ARG 11 Cb 0.02 -2.94 -0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1wwd s ARG 11 CO 0.79 0.38 -0.05 1.04 -0.81 0.00 0.00 175.30 176.65 1wwd n GLN 12 N 0.84 0.11 0.00 5.12 3.00 -1.26 -5.12 117.38 120.07 1wwd n GLN 12 Ca -0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1wwd n GLN 12 Cb 0.50 -0.90 0.00 0.00 0.00 0.00 0.00 30.24 29.84 1wwd n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wwd n GLY 13 N 1.66 3.19 0.00 1.08 0.00 -1.26 -5.18 105.19 104.68 1wwd n GLY 13 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1wwd n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wwd n GLY 14 N -1.26 -1.19 0.03 -0.02 0.00 -1.26 -4.98 105.19 96.50 1wwd n GLY 14 Ca 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 1wwd n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wwd n GLU 15 N -0.36 1.51 -3.37 1.61 0.00 -1.26 -4.98 120.64 113.80 1wwd n GLU 15 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 57.16 57.06 1wwd n GLU 15 Cb 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 31.44 30.23 1wwd n GLU 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1wwd s ARG 16 N -2.12 0.34 0.31 3.44 0.52 -1.26 -5.12 118.95 115.06 1wwd s ARG 16 Ca -0.06 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 1wwd s ARG 16 Cb 0.02 -0.57 0.00 0.00 0.52 0.00 0.00 34.95 34.92 1wwd s ARG 16 CO 0.16 -0.80 0.00 0.54 0.02 0.00 0.00 175.30 175.23 1wwd n ARG 17 N 5.35 -2.10 -2.76 3.54 5.12 -1.26 -4.83 116.66 119.71 1wwd n ARG 17 Ca -0.03 1.54 -0.10 0.00 -1.93 0.00 0.00 57.85 57.34 1wwd n ARG 17 Cb 0.49 -2.66 0.05 0.00 -1.16 0.00 0.00 32.46 29.19 1wwd n ARG 17 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1wwd n ARG 18 N -3.47 1.12 -4.20 5.56 1.85 -1.26 -4.94 116.66 111.31 1wwd n ARG 18 Ca -0.02 -2.70 -0.38 0.00 -1.00 0.00 0.00 57.85 53.75 1wwd n ARG 18 Cb 0.62 -0.94 -0.05 0.00 -1.05 0.00 0.00 32.46 31.05 1wwd n ARG 18 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1wwd n SER 19 N -0.12 -1.28 -4.21 2.89 7.64 -1.26 0.47 113.62 117.75 1wwd n SER 19 Ca 0.08 -1.28 -0.32 0.00 1.01 0.00 0.00 58.87 58.36 1wwd n SER 19 Cb 0.79 -1.67 -0.08 0.00 -1.01 0.00 0.00 64.21 62.24 1wwd n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wwd n GLN 20 N -4.79 -0.84 -1.54 1.43 6.02 -1.26 -4.59 117.38 111.81 1wwd n GLN 20 Ca -0.23 0.08 -0.16 0.00 -0.01 0.00 0.00 57.00 56.67 1wwd n GLN 20 Cb 0.64 -3.24 -0.12 0.00 1.02 0.00 0.00 30.24 28.55 1wwd n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1wwd n LEU 21 N -4.48 0.87 -4.63 1.08 0.00 0.18 -4.84 117.00 105.18 1wwd n LEU 21 Ca -0.28 -1.22 -0.41 0.00 0.00 0.00 0.00 56.01 54.09 1wwd n LEU 21 Cb 0.65 -1.34 0.01 0.00 0.00 0.00 0.00 43.42 42.74 1wwd n LEU 21 CO 0.79 -2.30 0.65 -0.67 0.00 0.00 0.00 177.39 175.87 1wwd n ASP 22 N 14.96 1.54 0.04 1.96 -0.08 -1.26 -4.80 116.55 128.91 1wwd n ASP 22 Ca 0.53 1.05 0.05 0.00 -1.51 0.00 0.00 54.79 54.90 1wwd n ASP 22 Cb 0.35 -1.39 0.22 0.00 2.34 0.00 0.00 41.12 42.64 1wwd n ASP 22 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wwd n ARG 23 N 0.10 0.04 -1.17 -0.67 5.12 -1.26 -0.84 116.66 117.98 1wwd n ARG 23 Ca 0.09 0.46 -0.00 0.00 -1.93 0.00 0.00 57.85 56.47 1wwd n ARG 23 Cb 0.39 -1.62 0.13 0.00 -1.16 0.00 0.00 32.46 30.20 1wwd n ARG 23 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1wwd n ASP 24 N -1.71 2.19 -4.06 0.55 5.68 -1.26 -4.98 116.55 112.96 1wwd n ASP 24 Ca 0.01 -3.42 -0.32 0.00 -0.50 0.00 0.00 54.79 50.56 1wwd n ASP 24 Cb 0.06 -0.45 -0.15 0.00 -1.14 0.00 0.00 41.12 39.44 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1wwd s GLN 25 N -2.76 2.32 0.09 0.11 -0.21 -0.02 -1.20 119.66 117.98 1wwd s GLN 25 Ca 0.39 -1.15 -0.36 0.00 0.02 0.00 0.00 55.36 54.26 1wwd s GLN 25 Cb 0.38 -2.74 -0.16 0.00 1.00 0.00 0.00 33.01 31.49 1wwd s GLN 25 CO -0.07 -0.48 1.44 0.00 -2.12 0.00 0.00 175.29 174.07 1wwd n ALA 27 N 3.01 5.57 0.10 0.00 0.00 -1.26 -2.56 120.51 125.37 1wwd n ALA 27 Ca 0.18 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1wwd n ALA 27 Cb 0.22 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1wwd n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wwd n TYR 28 N -0.77 -1.31 -0.01 0.00 9.36 -1.26 -4.88 117.16 118.28 1wwd n TYR 28 Ca 0.53 0.23 0.10 0.00 3.32 0.00 0.00 57.90 62.08 1wwd n TYR 28 Cb 1.12 0.31 -0.17 0.00 -0.63 0.00 0.00 39.34 39.97 1wwd n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wwd n LYS 30 N -2.28 0.00 -3.27 0.00 5.02 -1.06 -5.05 118.16 111.53 1wwd n LYS 30 Ca -0.05 0.18 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 1wwd n LYS 30 Cb 0.59 -2.08 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1wwd n LYS 30 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wwd s GLU 31 N -1.58 4.27 -0.14 1.97 2.56 -1.25 -4.74 118.70 119.79 1wwd s GLU 31 Ca 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 54.97 55.22 1wwd s GLU 31 Cb 0.00 -3.50 -0.03 0.00 2.00 0.00 0.00 34.13 32.60 1wwd s GLU 31 CO 0.00 0.00 0.62 -1.59 -0.56 0.00 0.00 175.26 173.73 1wwd s LYS 32 N 1.13 4.30 0.00 4.30 -2.85 -1.26 0.09 119.74 125.45 1wwd s LYS 32 Ca 0.26 0.65 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 1wwd s LYS 32 Cb -0.15 -3.51 0.00 0.00 -2.06 0.00 0.00 37.83 32.11 1wwd s LYS 32 CO 0.10 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1wwd n GLY 33 N 3.49 4.34 3.51 0.59 0.00 -0.34 -4.96 105.19 111.81 1wwd n GLY 33 Ca -0.03 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 1wwd n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wwd s HIS 34 N 0.00 2.47 0.36 1.61 -3.43 -1.26 -5.01 115.29 110.03 1wwd s HIS 34 Ca 0.00 -0.29 -0.07 0.00 -0.80 0.00 0.00 55.06 53.91 1wwd s HIS 34 Cb 0.00 -1.18 -0.05 0.00 -1.43 0.00 0.00 32.58 29.92 1wwd s HIS 34 CO 0.00 0.55 0.66 -1.58 -2.00 0.00 0.00 174.74 172.38 1wwd s TRP 35 N -1.90 3.49 0.38 0.38 0.52 -1.26 -2.82 118.94 117.73 1wwd s TRP 35 Ca 0.25 0.79 0.06 0.00 0.02 0.00 0.00 56.10 57.22 1wwd s TRP 35 Cb -0.08 -2.24 0.76 0.00 -1.15 0.00 0.00 33.47 30.77 1wwd s TRP 35 CO 0.14 0.00 2.00 0.00 0.02 0.00 0.00 176.95 179.11 1wwd h ALA 36 N 1.24 1.69 0.00 0.98 0.00 -1.91 0.46 119.26 121.73 1wwd h ALA 36 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wwd h ALA 36 Cb 1.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wwd h ALA 36 CO 0.64 0.24 0.00 0.87 0.00 0.00 0.00 179.25 181.00 1wwd h LYS 37 N 0.71 0.00 -0.17 0.00 1.57 -1.99 -0.89 116.57 115.79 1wwd h LYS 37 Ca 0.25 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 1wwd h LYS 37 Cb 0.12 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.20 1wwd h LYS 37 CO -0.07 0.00 -0.77 -3.47 -0.57 0.00 0.00 179.45 174.57 1wwd n ASP 38 N -2.69 2.04 -4.70 0.86 4.64 0.14 -5.06 116.55 111.78 1wwd n ASP 38 Ca -0.01 -3.14 -0.42 0.00 -1.38 0.00 0.00 54.79 49.83 1wwd n ASP 38 Cb 0.11 -0.43 -0.03 0.00 -1.04 0.00 0.00 41.12 39.73 1wwd n ASP 38 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wwd h PRO 40 N 7.35 0.00 0.00 0.00 0.13 -1.90 -2.55 132.00 135.02 1wwd h PRO 40 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1wwd h PRO 40 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wwd h PRO 40 CO 0.89 0.14 0.00 1.17 -0.23 0.00 0.00 178.00 179.97 1wwd n LYS 41 N -3.20 0.29 -2.48 0.86 4.81 -1.26 -4.80 118.16 112.39 1wwd n LYS 41 Ca 0.02 0.04 -0.32 0.00 -0.87 0.00 0.00 58.31 57.18 1wwd n LYS 41 Cb 0.47 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.98 1wwd n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wwd s LYS 42 N -2.67 3.98 0.15 1.64 1.02 -0.96 -5.01 119.74 117.88 1wwd s LYS 42 Ca 0.22 1.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 1wwd s LYS 42 Cb 0.17 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 35.27 1wwd s LYS 42 CO 0.42 -0.24 1.13 -1.25 -0.92 0.00 0.00 175.35 174.48 1wwd s PRO 43 N -3.86 4.54 -0.26 -1.68 0.04 -1.26 -5.02 135.00 127.50 1wwd s PRO 43 Ca 0.60 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 63.28 1wwd s PRO 43 Cb -0.10 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 1wwd s PRO 43 CO 0.27 -0.03 0.15 0.50 0.04 0.00 0.00 177.00 177.93 1wwd s ARG 44 N 0.03 3.93 0.00 4.56 3.52 -1.26 -4.97 118.95 124.76 1wwd s ARG 44 Ca 0.52 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1wwd s ARG 44 Cb -0.30 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 1wwd s ARG 44 CO 0.34 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 1wwd n GLY 45 N 4.74 0.82 3.79 8.12 0.00 -1.26 -4.93 105.19 116.47 1wwd n GLY 45 Ca -0.15 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 1wwd n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwd s PRO 46 N -1.21 1.38 0.06 1.61 0.04 -1.26 -5.04 135.00 130.58 1wwd s PRO 46 Ca 0.00 0.38 -0.37 0.00 0.04 0.00 0.00 61.00 61.05 1wwd s PRO 46 Cb 0.00 -1.86 -0.19 0.00 0.04 0.00 0.00 34.50 32.49 1wwd s PRO 46 CO 0.00 -2.05 0.96 0.54 0.04 0.00 0.00 177.00 176.49 1wwd n ARG 47 N -3.68 0.10 -3.63 4.56 1.74 -1.26 -4.92 116.66 109.57 1wwd n ARG 47 Ca 0.07 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1wwd n ARG 47 Cb 0.58 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.55 1wwd n ARG 47 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1wwd s GLY 48 N -0.21 2.25 0.02 -0.13 0.00 -1.26 -5.10 107.32 102.89 1wwd s GLY 48 Ca 0.84 -0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.05 1wwd s GLY 48 CO 0.56 -0.40 0.02 -1.55 0.00 0.00 0.00 173.10 171.73 1wwd n PRO 49 N 0.14 -0.52 -3.84 2.90 -0.04 -1.26 -5.03 135.00 127.35 1wwd n PRO 49 Ca -0.02 -0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.06 1wwd n PRO 49 Cb 0.52 -0.03 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 1wwd n PRO 49 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wwd s ARG 50 N -3.05 2.09 0.08 0.54 0.52 -1.26 -4.93 118.95 112.94 1wwd s ARG 50 Ca 0.01 -2.23 -0.14 0.00 -0.52 0.00 0.00 55.73 52.85 1wwd s ARG 50 Cb -0.00 -3.51 -0.20 0.00 0.52 0.00 0.00 34.95 31.75 1wwd s ARG 50 CO 0.01 -1.09 1.23 -1.00 0.02 0.00 0.00 175.30 174.46 1wwd h PRO 51 N 7.32 0.71 -6.02 3.54 0.13 -2.07 -3.49 132.00 132.12 1wwd h PRO 51 Ca -0.07 -0.69 -0.23 0.00 -0.87 0.00 0.00 66.00 64.15 1wwd h PRO 51 Cb 0.98 0.18 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1wwd h PRO 51 CO 0.67 1.28 -0.80 1.04 -0.23 0.00 0.00 178.00 179.96 1wwd n GLN 52 N -3.93 -1.92 0.00 0.86 1.13 -1.26 -4.96 117.38 107.31 1wwd n GLN 52 Ca -0.10 1.54 0.00 0.00 -1.94 0.00 0.00 57.00 56.50 1wwd n GLN 52 Cb 0.81 -3.76 0.00 0.00 0.11 0.00 0.00 30.24 27.39 1wwd n GLN 52 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1wwd n THR 53 N -0.88 0.00 -2.42 5.09 5.66 -1.26 -5.13 114.28 115.34 1wwd n THR 53 Ca -0.05 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.93 1wwd n THR 53 Cb 0.59 -0.94 -0.02 0.00 -1.55 0.00 0.00 70.33 68.42 1wwd n THR 53 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wwd n SER 54 N -2.65 -6.58 -3.95 1.09 2.88 -1.26 -4.95 113.62 98.21 1wwd n SER 54 Ca 0.00 1.70 -0.30 0.00 -1.33 0.00 0.00 58.87 58.94 1wwd n SER 54 Cb 0.34 -5.22 -0.12 0.00 -0.75 0.00 0.00 64.21 58.46 1wwd n SER 54 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wwd s LEU 55 N -0.62 4.79 0.00 2.46 0.20 -1.26 -5.30 118.68 118.94 1wwd s LEU 55 Ca -0.09 -3.56 0.22 0.00 0.69 0.00 0.00 54.13 51.38 1wwd s LEU 55 Cb 0.01 -1.68 0.17 0.00 -0.43 0.00 0.00 46.19 44.26 1wwd s LEU 55 CO 0.26 -0.15 1.18 0.18 -0.29 0.00 0.00 176.35 177.53