#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 1.64 0.03 0.00 -1.32 -1.26 -5.04 115.64 109.69 1wwd s THR 2 Ca 0.00 -0.97 -0.04 0.00 -1.21 0.00 0.00 61.69 59.47 1wwd s THR 2 Cb 0.00 -1.38 -0.01 0.00 -1.51 0.00 0.00 72.50 69.60 1wwd s THR 2 CO 0.00 0.39 -0.07 0.52 -2.21 0.00 0.00 174.62 173.25 1wwd n VAL 3 N 2.37 1.16 -1.72 5.08 0.31 -1.26 -5.14 118.33 119.13 1wwd n VAL 3 Ca -0.16 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1wwd n VAL 3 Cb 0.53 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1wwd n VAL 3 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wwd n VAL 4 N -3.59 -9.37 -3.55 2.52 0.31 -1.26 -5.09 118.33 98.30 1wwd n VAL 4 Ca -0.03 2.65 -0.10 0.00 -0.01 0.00 0.00 64.34 66.86 1wwd n VAL 4 Cb 0.11 -4.31 -0.04 0.00 -0.91 0.00 0.00 33.84 28.69 1wwd n VAL 4 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1wwd s SER 5 N -0.93 -0.36 0.00 4.52 1.04 -1.26 -5.09 113.70 111.62 1wwd s SER 5 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1wwd s SER 5 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1wwd s SER 5 CO 0.00 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1wwd n GLY 6 N 0.35 -0.94 3.41 7.32 0.00 -1.26 -5.14 105.19 108.93 1wwd n GLY 6 Ca -0.09 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1wwd n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wwd n GLN 7 N 0.00 0.32 -3.66 1.61 0.00 -1.26 -5.01 117.38 109.38 1wwd n GLN 7 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 57.00 57.07 1wwd n GLN 7 Cb 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 30.24 28.55 1wwd n GLN 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1wwd s LYS 8 N -2.22 0.53 -0.29 2.61 0.00 -1.26 -5.15 119.74 113.96 1wwd s LYS 8 Ca 0.64 1.18 -0.23 0.00 0.00 0.00 0.00 55.97 57.56 1wwd s LYS 8 Cb -0.40 0.39 0.15 0.00 0.00 0.00 0.00 37.83 37.97 1wwd s LYS 8 CO 0.59 -0.19 1.18 -1.14 0.00 0.00 0.00 175.35 175.80 1wwd s GLN 9 N 2.21 0.30 -0.29 1.78 -0.44 -1.26 -5.17 119.66 116.79 1wwd s GLN 9 Ca -0.07 0.39 -0.19 0.00 -2.50 0.00 0.00 55.36 52.99 1wwd s GLN 9 Cb -0.09 0.13 0.14 0.00 -1.64 0.00 0.00 33.01 31.55 1wwd s GLN 9 CO -0.17 -0.04 1.02 0.34 0.50 0.00 0.00 175.29 176.94 1wwd s ASP 10 N 0.34 -0.46 -0.00 6.67 2.15 -1.26 -5.17 116.67 118.94 1wwd s ASP 10 Ca 0.02 0.79 0.03 0.00 0.43 0.00 0.00 52.55 53.82 1wwd s ASP 10 Cb -0.05 1.05 -0.03 0.00 -0.30 0.00 0.00 42.92 43.59 1wwd s ASP 10 CO -0.11 -0.13 -0.05 -0.13 -0.17 0.00 0.00 175.17 174.58 1wwd s ARG 11 N 0.92 2.62 0.67 4.34 3.00 -1.26 -5.12 118.95 124.12 1wwd s ARG 11 Ca -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 55.73 54.93 1wwd s ARG 11 Cb -0.04 -2.55 0.04 0.00 0.00 0.00 0.00 34.95 32.40 1wwd s ARG 11 CO -0.12 0.61 0.99 -0.65 0.00 0.00 0.00 175.30 176.13 1wwd s GLN 12 N -1.43 2.49 0.16 3.54 -0.21 -1.26 -5.11 119.66 117.85 1wwd s GLN 12 Ca 0.17 -0.08 -0.15 0.00 0.02 0.00 0.00 55.36 55.32 1wwd s GLN 12 Cb -0.11 -2.18 0.02 0.00 1.00 0.00 0.00 33.01 31.74 1wwd s GLN 12 CO 0.08 -1.05 0.41 0.20 -2.12 0.00 0.00 175.29 172.81 1wwd s GLY 13 N -4.43 -0.06 0.00 3.09 0.00 -1.26 -5.16 107.32 99.51 1wwd s GLY 13 Ca 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1wwd s GLY 13 CO 0.46 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.75 1wwd n GLY 14 N -0.26 2.53 3.67 0.20 0.00 -1.26 -4.70 105.19 105.37 1wwd n GLY 14 Ca -0.12 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1wwd n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wwd s GLU 15 N 4.28 0.62 0.05 1.61 0.41 -1.22 -4.95 118.70 119.50 1wwd s GLU 15 Ca 0.00 0.73 0.01 0.00 -0.41 0.00 0.00 54.97 55.30 1wwd s GLU 15 Cb 0.00 -1.74 -0.03 0.00 -1.78 0.00 0.00 34.13 30.58 1wwd s GLU 15 CO 0.00 -2.65 -0.06 1.03 -0.49 0.00 0.00 175.26 173.09 1wwd s ARG 16 N -4.87 0.59 -0.75 1.61 0.52 -1.26 -4.52 118.95 110.26 1wwd s ARG 16 Ca 0.65 -0.98 -0.04 0.00 -0.52 0.00 0.00 55.73 54.84 1wwd s ARG 16 Cb -0.19 -0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 1wwd s ARG 16 CO 0.58 -0.02 0.65 -2.13 0.02 0.00 0.00 175.30 174.40 1wwd n ARG 17 N 0.81 -2.03 0.00 3.54 0.63 -1.26 -4.98 116.66 113.38 1wwd n ARG 17 Ca -0.18 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1wwd n ARG 17 Cb 0.58 -4.58 0.00 0.00 0.45 0.00 0.00 32.46 28.91 1wwd n ARG 17 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1wwd n ARG 18 N -2.78 0.00 -4.16 -0.14 0.63 -1.26 -4.96 116.66 103.98 1wwd n ARG 18 Ca -0.07 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.53 1wwd n ARG 18 Cb 0.59 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.47 1wwd n ARG 18 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1wwd n SER 19 N 0.00 -2.25 -3.96 6.15 7.64 -1.26 0.31 113.62 120.24 1wwd n SER 19 Ca 0.00 -1.03 -0.28 0.00 1.01 0.00 0.00 58.87 58.57 1wwd n SER 19 Cb 0.00 -2.75 -0.00 0.00 -1.01 0.00 0.00 64.21 60.45 1wwd n SER 19 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1wwd n GLN 20 N -4.40 -3.97 -1.53 1.43 -0.06 -1.26 -4.71 117.38 102.89 1wwd n GLN 20 Ca -0.05 0.47 -0.35 0.00 -2.00 0.00 0.00 57.00 55.07 1wwd n GLN 20 Cb 0.55 -4.95 -0.08 0.00 -4.06 0.00 0.00 30.24 21.71 1wwd n GLN 20 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1wwd n LEU 21 N -4.43 1.51 -4.72 1.69 0.00 0.15 -4.84 117.00 106.35 1wwd n LEU 21 Ca -0.16 -0.37 -0.42 0.00 0.00 0.00 0.00 56.01 55.06 1wwd n LEU 21 Cb 0.61 -1.35 -0.01 0.00 0.00 0.00 0.00 43.42 42.68 1wwd n LEU 21 CO 0.76 -1.39 1.02 -0.67 0.00 0.00 0.00 177.39 177.12 1wwd n ASP 22 N 14.08 3.19 0.00 1.96 2.03 -1.26 -3.38 116.55 133.17 1wwd n ASP 22 Ca 0.48 1.20 0.04 0.00 0.52 0.00 0.00 54.79 57.03 1wwd n ASP 22 Cb 0.36 -1.53 0.20 0.00 -0.72 0.00 0.00 41.12 39.43 1wwd n ASP 22 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1wwd n ARG 23 N 0.89 0.03 -0.84 -0.67 3.00 -1.26 -1.34 116.66 116.47 1wwd n ARG 23 Ca 0.05 0.31 0.04 0.00 -0.00 0.00 0.00 57.85 58.25 1wwd n ARG 23 Cb 0.36 -1.50 0.08 0.00 0.00 0.00 0.00 32.46 31.40 1wwd n ARG 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1wwd n ASP 24 N -1.45 1.15 -4.33 6.15 8.00 -1.26 -5.03 116.55 119.78 1wwd n ASP 24 Ca 0.03 -2.64 -0.35 0.00 0.71 0.00 0.00 54.79 52.54 1wwd n ASP 24 Cb 0.10 -0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 40.70 1wwd n ASP 24 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wwd s GLN 25 N -1.24 3.42 0.20 -1.24 0.74 -0.45 -1.30 119.66 119.79 1wwd s GLN 25 Ca 0.27 -0.61 -0.33 0.00 0.05 0.00 0.00 55.36 54.75 1wwd s GLN 25 Cb 0.28 -3.03 -0.14 0.00 1.10 0.00 0.00 33.01 31.22 1wwd s GLN 25 CO -0.08 -0.16 1.45 0.00 -0.55 0.00 0.00 175.29 175.95 1wwd n ALA 27 N 2.48 5.65 0.07 0.00 0.00 -1.26 -2.89 120.51 124.56 1wwd n ALA 27 Ca 0.14 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1wwd n ALA 27 Cb 0.29 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.08 -0.79 -0.03 0.00 9.36 -1.26 -4.87 117.16 118.48 1wwd n TYR 28 Ca 0.58 0.14 0.06 0.00 3.32 0.00 0.00 57.90 62.00 1wwd n TYR 28 Cb 1.36 0.21 -0.15 0.00 -0.63 0.00 0.00 39.34 40.13 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 -2.29 0.00 -3.39 0.00 5.02 -1.14 -5.05 118.16 111.30 1wwd n LYS 30 Ca -0.09 0.09 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1wwd n LYS 30 Cb 0.64 -1.91 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 1wwd n LYS 30 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wwd s GLU 31 N -2.03 4.02 -0.06 1.97 2.02 -1.25 -4.79 118.70 118.58 1wwd s GLU 31 Ca 0.00 0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 1wwd s GLU 31 Cb 0.00 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 1wwd s GLU 31 CO 0.00 -0.27 1.05 0.21 0.02 0.00 0.00 175.26 176.27 1wwd s LYS 32 N 2.04 4.44 0.00 1.61 2.20 -1.26 -1.29 119.74 127.48 1wwd s LYS 32 Ca 0.15 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 1wwd s LYS 32 Cb -0.16 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1wwd s LYS 32 CO 0.10 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1wwd n GLY 33 N 3.11 3.80 3.68 5.54 0.00 -0.42 -4.95 105.19 115.95 1wwd n GLY 33 Ca 0.09 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 2.85 0.48 1.61 -3.43 -1.25 -4.97 115.29 110.58 1wwd s HIS 34 Ca 0.00 -0.15 -0.03 0.00 -0.80 0.00 0.00 55.06 54.08 1wwd s HIS 34 Cb 0.00 -1.34 -0.01 0.00 -1.43 0.00 0.00 32.58 29.79 1wwd s HIS 34 CO 0.00 0.54 0.74 -1.58 -2.00 0.00 0.00 174.74 172.44 1wwd s TRP 35 N -1.92 3.36 0.37 0.38 0.52 -1.26 -2.35 118.94 118.03 1wwd s TRP 35 Ca 0.29 0.50 0.04 0.00 0.02 0.00 0.00 56.10 56.96 1wwd s TRP 35 Cb -0.08 -2.35 0.72 0.00 -1.15 0.00 0.00 33.47 30.60 1wwd s TRP 35 CO 0.20 -0.38 2.01 0.00 0.02 0.00 0.00 176.95 178.80 1wwd h ALA 36 N 0.26 1.62 0.00 0.98 0.00 -1.90 0.51 119.26 120.73 1wwd h ALA 36 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wwd h ALA 36 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wwd h ALA 36 CO 0.60 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.81 1wwd n LYS 37 N -4.45 0.04 -0.38 0.00 4.01 -1.26 -1.35 118.16 114.76 1wwd n LYS 37 Ca 0.06 0.27 0.06 0.00 -0.51 0.00 0.00 58.31 58.19 1wwd n LYS 37 Cb 0.08 -1.50 0.10 0.00 -0.51 0.00 0.00 35.03 33.20 1wwd n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wwd n ASP 38 N -1.46 1.45 -4.70 4.39 2.03 0.16 -4.91 116.55 113.52 1wwd n ASP 38 Ca 0.03 -2.78 -0.42 0.00 0.52 0.00 0.00 54.79 52.14 1wwd n ASP 38 Cb 0.13 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.14 1wwd n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wwd n PRO 40 N 4.67 0.75 -0.26 0.00 -0.04 -1.26 -1.92 135.00 136.94 1wwd n PRO 40 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1wwd n PRO 40 Cb 0.43 -1.48 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 1wwd n PRO 40 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wwd n LYS 41 N -0.98 2.91 -4.24 0.54 4.81 -1.26 -4.98 118.16 114.96 1wwd n LYS 41 Ca 0.17 -2.30 -0.19 0.00 -0.87 0.00 0.00 58.31 55.13 1wwd n LYS 41 Cb 0.08 -1.45 -0.11 0.00 0.02 0.00 0.00 35.03 33.57 1wwd n LYS 41 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wwd s LYS 42 N -1.56 1.01 -0.44 1.64 0.00 -0.81 -5.07 119.74 114.51 1wwd s LYS 42 Ca 0.29 -1.19 -0.29 0.00 0.00 0.00 0.00 55.97 54.79 1wwd s LYS 42 Cb 0.19 -0.95 0.01 0.00 0.00 0.00 0.00 37.83 37.08 1wwd s LYS 42 CO 0.14 0.19 1.43 -1.25 0.00 0.00 0.00 175.35 175.85 1wwd s PRO 43 N -2.46 3.50 -0.02 1.78 0.04 -1.26 -4.85 135.00 131.73 1wwd s PRO 43 Ca 0.07 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 1wwd s PRO 43 Cb -0.06 -4.05 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 1wwd s PRO 43 CO 0.03 -1.67 1.85 0.50 0.04 0.00 0.00 177.00 177.75 1wwd s ARG 44 N 5.10 4.10 1.35 4.56 6.06 -1.26 -4.97 118.95 133.89 1wwd s ARG 44 Ca 0.60 2.40 -0.23 0.00 -2.50 0.00 0.00 55.73 56.00 1wwd s ARG 44 Cb -0.13 -4.10 0.34 0.00 0.06 0.00 0.00 34.95 31.12 1wwd s ARG 44 CO 0.31 -0.98 0.96 0.41 -2.50 0.00 0.00 175.30 173.50 1wwd n GLY 45 N 4.45 -3.43 3.81 8.12 0.00 -1.26 -4.79 105.19 112.08 1wwd n GLY 45 Ca 0.19 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 -5.23 2.11 0.07 1.61 0.04 -1.26 -5.14 135.00 127.19 1wwd s PRO 46 Ca 0.68 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.23 1wwd s PRO 46 Cb -0.09 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1wwd s PRO 46 CO 0.55 -1.60 0.44 1.03 0.04 0.00 0.00 177.00 177.46 1wwd s ARG 47 N -5.16 3.88 0.00 4.56 0.52 -1.26 -5.09 118.95 116.40 1wwd s ARG 47 Ca 0.61 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 1wwd s ARG 47 Cb -0.14 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1wwd s ARG 47 CO 0.54 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.86 1wwd n GLY 48 N 1.22 -3.35 3.60 -3.53 0.00 -1.26 -4.82 105.19 97.05 1wwd n GLY 48 Ca -0.09 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1wwd n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwd s PRO 49 N -0.39 3.54 -0.22 1.61 0.04 -1.26 -4.97 135.00 133.35 1wwd s PRO 49 Ca 0.00 0.90 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 1wwd s PRO 49 Cb 0.00 -4.04 0.08 0.00 0.04 0.00 0.00 34.50 30.58 1wwd s PRO 49 CO 0.00 -1.61 0.09 1.03 0.04 0.00 0.00 177.00 176.55 1wwd s ARG 50 N 5.02 0.29 -0.28 4.56 0.52 -1.26 -5.11 118.95 122.69 1wwd s ARG 50 Ca 0.61 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 55.15 1wwd s ARG 50 Cb -0.13 -1.72 -0.00 0.00 0.52 0.00 0.00 34.95 33.61 1wwd s ARG 50 CO 0.32 -0.79 1.34 -1.25 0.02 0.00 0.00 175.30 174.94 1wwd s PRO 51 N 2.01 3.92 -0.13 3.54 0.04 -1.26 -4.99 135.00 138.14 1wwd s PRO 51 Ca 0.04 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.31 1wwd s PRO 51 Cb -0.16 -3.89 0.04 0.00 0.04 0.00 0.00 34.50 30.52 1wwd s PRO 51 CO -0.18 -1.12 0.33 1.14 0.04 0.00 0.00 177.00 177.21 1wwd s GLN 52 N 4.19 0.35 0.15 4.56 -2.07 -1.26 -5.14 119.66 120.45 1wwd s GLN 52 Ca 0.58 0.52 -0.30 0.00 -1.82 0.00 0.00 55.36 54.34 1wwd s GLN 52 Cb -0.18 0.10 -0.07 0.00 -1.09 0.00 0.00 33.01 31.77 1wwd s GLN 52 CO 0.23 -0.08 1.18 0.99 -1.32 0.00 0.00 175.29 176.29 1wwd s THR 53 N 0.54 3.75 0.37 3.63 2.01 -1.26 -4.76 115.64 119.92 1wwd s THR 53 Ca -0.03 1.42 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1wwd s THR 53 Cb -0.05 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1wwd s THR 53 CO -0.03 0.20 0.00 -0.24 -0.69 0.00 0.00 174.62 173.86 1wwd n SER 54 N 2.83 -5.37 -4.27 3.53 2.88 -1.26 -4.88 113.62 107.08 1wwd n SER 54 Ca 0.05 1.14 -0.37 0.00 -1.33 0.00 0.00 58.87 58.36 1wwd n SER 54 Cb 0.45 -2.80 -0.13 0.00 -0.75 0.00 0.00 64.21 60.98 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 -4.33 3.99 0.00 2.46 1.98 -1.26 -5.20 118.68 116.32 1wwd s LEU 55 Ca 0.00 -1.00 0.05 0.00 -2.89 0.00 0.00 54.13 50.29 1wwd s LEU 55 Cb 0.00 -1.83 0.04 0.00 0.66 0.00 0.00 46.19 45.06 1wwd s LEU 55 CO 0.00 -0.26 0.67 -0.11 -1.89 0.00 0.00 176.35 174.76