#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p s THR 2 N 0.00 0.00 -0.03 0.00 -1.32 -1.26 -5.17 115.64 107.86 1u6p s THR 2 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 1u6p s THR 2 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1u6p s THR 2 CO 0.00 0.00 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.54 1u6p s VAL 3 N -0.63 1.46 0.00 5.08 1.01 -1.26 -5.05 120.40 121.01 1u6p s VAL 3 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1u6p s VAL 3 Cb -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1u6p s VAL 3 CO -0.08 0.42 0.00 0.52 0.00 0.00 0.00 175.10 175.96 1u6p n VAL 4 N 2.96 0.00 0.00 2.92 0.31 -1.26 -5.18 118.33 118.09 1u6p n VAL 4 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1u6p n VAL 4 Cb 0.53 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1u6p n VAL 4 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1u6p n SER 5 N -1.26 0.00 0.00 4.52 3.41 -1.26 -5.18 113.62 113.85 1u6p n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1u6p n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1u6p n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u6p n GLY 6 N -0.54 4.02 2.11 5.00 0.00 -1.26 -4.71 105.19 109.81 1u6p n GLY 6 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1u6p n GLY 6 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u6p n GLN 7 N -0.21 0.00 -3.95 1.61 1.13 -1.26 -5.12 117.38 109.59 1u6p n GLN 7 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1u6p n GLN 7 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1u6p n GLN 7 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1u6p s LYS 8 N -1.63 1.68 0.00 -1.09 -0.14 -1.26 -5.06 119.74 112.24 1u6p s LYS 8 Ca 0.00 -1.19 0.00 0.00 -1.36 0.00 0.00 55.97 53.42 1u6p s LYS 8 Cb 0.00 0.52 0.00 0.00 -1.68 0.00 0.00 37.83 36.67 1u6p s LYS 8 CO 0.00 -0.73 0.00 0.00 -0.76 0.00 0.00 175.35 173.86 1u6p n GLN 9 N -0.42 0.00 -3.75 1.68 10.64 -1.26 -5.16 117.38 119.11 1u6p n GLN 9 Ca -0.03 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.18 1u6p n GLN 9 Cb 0.61 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 30.00 1u6p n GLN 9 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1u6p n ASP 10 N -1.49 -0.99 0.04 2.61 2.03 -1.26 -5.09 116.55 112.40 1u6p n ASP 10 Ca 0.00 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1u6p n ASP 10 Cb 0.00 1.51 0.00 0.00 -0.72 0.00 0.00 41.12 41.91 1u6p n ASP 10 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1u6p n ARG 11 N -0.83 0.00 -3.76 -0.67 5.12 -1.26 -5.10 116.66 110.16 1u6p n ARG 11 Ca 0.05 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.84 1u6p n ARG 11 Cb 0.51 -0.37 -0.11 0.00 -1.16 0.00 0.00 32.46 31.33 1u6p n ARG 11 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1u6p s GLN 12 N -2.00 0.40 0.00 5.56 0.74 -1.26 -5.16 119.66 117.94 1u6p s GLN 12 Ca 0.00 0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.83 1u6p s GLN 12 Cb 0.00 0.19 0.00 0.00 1.10 0.00 0.00 33.01 34.30 1u6p s GLN 12 CO 0.00 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 1u6p n GLY 13 N 2.80 4.17 3.53 2.59 0.00 -1.26 -5.16 105.19 111.87 1u6p n GLY 13 Ca -0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 1u6p n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u6p s GLY 14 N 0.00 -0.61 0.00 -0.02 0.00 -1.26 -5.15 107.32 100.28 1u6p s GLY 14 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 44.72 46.81 1u6p s GLY 14 CO 0.00 2.84 0.00 1.18 0.00 0.00 0.00 173.10 177.12 1u6p n GLU 15 N 5.40 0.00 -3.15 2.90 1.02 -1.26 -5.14 120.64 120.41 1u6p n GLU 15 Ca -0.11 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.07 1u6p n GLU 15 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1u6p n GLU 15 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u6p s ARG 16 N -1.45 0.53 -0.30 3.49 0.52 -1.26 -5.10 118.95 115.37 1u6p s ARG 16 Ca 0.00 0.56 -0.10 0.00 -0.52 0.00 0.00 55.73 55.67 1u6p s ARG 16 Cb 0.00 0.26 0.19 0.00 0.52 0.00 0.00 34.95 35.92 1u6p s ARG 16 CO 0.00 -0.96 1.03 0.50 0.02 0.00 0.00 175.30 175.89 1u6p s ARG 17 N 2.84 0.17 -0.29 3.54 3.52 -1.26 -5.03 118.95 122.44 1u6p s ARG 17 Ca 0.12 0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.80 1u6p s ARG 17 Cb -0.10 0.06 0.13 0.00 -1.56 0.00 0.00 34.95 33.48 1u6p s ARG 17 CO -0.25 -0.29 2.28 0.54 -0.81 0.00 0.00 175.30 176.77 1u6p n ARG 18 N 4.82 1.86 -0.36 5.12 3.00 -1.26 -4.63 116.66 125.21 1u6p n ARG 18 Ca 0.09 -1.53 0.33 0.00 -0.01 0.00 0.00 57.85 56.73 1u6p n ARG 18 Cb 0.59 -1.69 0.59 0.00 0.00 0.00 0.00 32.46 31.95 1u6p n ARG 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1u6p n SER 19 N 0.72 0.28 -2.69 0.55 2.88 -1.26 -1.66 113.62 112.44 1u6p n SER 19 Ca 0.32 1.46 -0.09 0.00 -1.33 0.00 0.00 58.87 59.23 1u6p n SER 19 Cb 0.59 -0.72 0.06 0.00 -0.75 0.00 0.00 64.21 63.39 1u6p n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u6p n GLN 20 N -4.92 1.15 -3.37 -1.46 6.02 -1.26 -5.04 117.38 108.50 1u6p n GLN 20 Ca 0.37 -2.74 -0.46 0.00 -0.01 0.00 0.00 57.00 54.16 1u6p n GLN 20 Cb 1.32 -0.84 -0.03 0.00 1.02 0.00 0.00 30.24 31.71 1u6p n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1u6p s LEU 21 N -3.10 6.56 0.62 1.08 0.20 -0.66 -4.90 118.68 118.48 1u6p s LEU 21 Ca 0.26 -2.81 -0.13 0.00 0.69 0.00 0.00 54.13 52.13 1u6p s LEU 21 Cb 0.43 -2.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 1u6p s LEU 21 CO -0.01 -0.52 1.04 -0.62 -0.29 0.00 0.00 176.35 175.95 1u6p s ASP 22 N 1.90 5.81 0.00 3.68 2.15 -1.26 -4.90 116.67 124.04 1u6p s ASP 22 Ca 0.19 1.66 0.08 0.00 0.43 0.00 0.00 52.55 54.90 1u6p s ASP 22 Cb -0.11 -2.51 0.34 0.00 -0.30 0.00 0.00 42.92 40.34 1u6p s ASP 22 CO -0.08 -1.15 1.23 -1.14 -0.17 0.00 0.00 175.17 173.86 1u6p n ARG 23 N -2.47 0.01 -1.05 4.34 3.00 -1.26 -1.25 116.66 117.98 1u6p n ARG 23 Ca 0.08 0.35 0.05 0.00 -0.00 0.00 0.00 57.85 58.32 1u6p n ARG 23 Cb 0.53 -1.50 0.11 0.00 0.00 0.00 0.00 32.46 31.61 1u6p n ARG 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1u6p n ASP 24 N -1.47 1.34 -4.85 6.15 9.92 -1.26 -5.07 116.55 121.31 1u6p n ASP 24 Ca 0.02 -2.92 -0.29 0.00 -0.53 0.00 0.00 54.79 51.07 1u6p n ASP 24 Cb 0.09 -0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.12 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1u6p s GLN 25 N -1.57 2.23 -0.13 -1.24 0.74 -0.38 -1.49 119.66 117.82 1u6p s GLN 25 Ca 0.36 -2.21 -0.05 0.00 0.05 0.00 0.00 55.36 53.51 1u6p s GLN 25 Cb 0.38 -1.85 -0.04 0.00 1.10 0.00 0.00 33.01 32.60 1u6p s GLN 25 CO -0.12 -0.54 0.05 0.00 -0.55 0.00 0.00 175.29 174.13 1u6p n ALA 27 N 2.75 4.20 0.04 0.00 0.00 -1.26 -2.55 120.51 123.69 1u6p n ALA 27 Ca -0.18 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1u6p n ALA 27 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1u6p n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1u6p n TYR 28 N 0.15 -0.33 0.98 0.00 4.19 -1.26 -4.83 117.16 116.06 1u6p n TYR 28 Ca 0.33 0.06 0.11 0.00 3.31 0.00 0.00 57.90 61.71 1u6p n TYR 28 Cb 1.24 0.11 0.01 0.00 0.49 0.00 0.00 39.34 41.20 1u6p n TYR 28 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1u6p n LYS 30 N -1.52 0.00 -1.54 0.00 4.01 -1.06 -4.98 118.16 113.07 1u6p n LYS 30 Ca 0.04 0.00 -0.45 0.00 -0.51 0.00 0.00 58.31 57.40 1u6p n LYS 30 Cb 0.34 -0.89 -0.01 0.00 -0.51 0.00 0.00 35.03 33.95 1u6p n LYS 30 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1u6p n GLU 31 N -2.00 1.02 -3.81 1.97 1.02 -1.26 -3.97 120.64 113.61 1u6p n GLU 31 Ca 0.00 0.36 -0.37 0.00 -0.02 0.00 0.00 57.16 57.13 1u6p n GLU 31 Cb 0.00 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 1u6p n GLU 31 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1u6p s LYS 32 N -1.47 3.65 0.00 3.49 -2.85 -1.26 0.43 119.74 121.73 1u6p s LYS 32 Ca 0.60 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 1u6p s LYS 32 Cb -0.73 -3.25 0.00 0.00 -2.06 0.00 0.00 37.83 31.79 1u6p s LYS 32 CO 0.59 0.66 0.00 0.41 0.10 0.00 0.00 175.35 177.11 1u6p n GLY 33 N 2.32 3.87 3.66 0.59 0.00 -0.55 -4.95 105.19 110.12 1u6p n GLY 33 Ca -0.18 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 1u6p n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u6p s HIS 34 N 0.00 2.55 0.35 1.61 -3.43 -1.26 -4.90 115.29 110.21 1u6p s HIS 34 Ca 0.00 -0.56 0.07 0.00 -0.80 0.00 0.00 55.06 53.77 1u6p s HIS 34 Cb 0.00 -1.71 -0.01 0.00 -1.43 0.00 0.00 32.58 29.43 1u6p s HIS 34 CO 0.00 0.38 0.49 -1.58 -2.00 0.00 0.00 174.74 172.04 1u6p s TRP 35 N -2.61 3.07 0.18 0.38 0.52 -1.26 -2.41 118.94 116.82 1u6p s TRP 35 Ca 0.37 -0.24 -0.13 0.00 0.02 0.00 0.00 56.10 56.12 1u6p s TRP 35 Cb 0.04 -2.07 0.16 0.00 -1.15 0.00 0.00 33.47 30.45 1u6p s TRP 35 CO 0.20 -0.09 1.77 0.00 0.02 0.00 0.00 176.95 178.85 1u6p h ALA 36 N 0.84 0.65 0.00 0.98 0.00 -1.90 0.67 119.26 120.50 1u6p h ALA 36 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1u6p h ALA 36 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1u6p h ALA 36 CO 0.51 -0.13 0.00 1.63 0.00 0.00 0.00 179.25 181.26 1u6p n LYS 37 N -4.92 0.02 -0.08 0.00 4.01 -1.26 -0.40 118.16 115.54 1u6p n LYS 37 Ca 0.05 0.33 0.06 0.00 -0.51 0.00 0.00 58.31 58.24 1u6p n LYS 37 Cb 0.16 -1.50 0.10 0.00 -0.51 0.00 0.00 35.03 33.28 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1u6p n ASP 38 N -1.46 2.35 -4.72 4.39 -0.08 0.20 -5.03 116.55 112.20 1u6p n ASP 38 Ca 0.02 -2.69 -0.42 0.00 -1.51 0.00 0.00 54.79 50.20 1u6p n ASP 38 Cb 0.09 -0.29 -0.03 0.00 2.34 0.00 0.00 41.12 43.23 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u6p n PRO 40 N 3.49 0.75 0.03 0.00 -0.04 -1.26 -2.14 135.00 135.82 1u6p n PRO 40 Ca 0.09 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1u6p n PRO 40 Cb 0.43 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 1u6p n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u6p n LYS 41 N -0.96 0.63 -1.58 0.54 5.02 -1.26 -4.86 118.16 115.69 1u6p n LYS 41 Ca 0.17 0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 56.07 1u6p n LYS 41 Cb 0.08 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1u6p n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1u6p n LYS 42 N -2.64 1.85 -0.88 1.97 5.02 -0.91 -4.80 118.16 117.77 1u6p n LYS 42 Ca -0.08 0.51 -0.20 0.00 -2.02 0.00 0.00 58.31 56.52 1u6p n LYS 42 Cb 0.72 -3.14 -0.07 0.00 -0.02 0.00 0.00 35.03 32.52 1u6p n LYS 42 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1u6p n PRO 43 N 8.68 2.18 -3.51 1.97 -0.04 -1.26 -4.73 135.00 138.29 1u6p n PRO 43 Ca 0.31 -1.29 -0.09 0.00 -0.04 0.00 0.00 63.50 62.39 1u6p n PRO 43 Cb 0.42 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 1u6p n PRO 43 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1u6p s ARG 44 N 2.21 1.11 0.50 0.54 3.52 -1.26 -4.50 118.95 121.07 1u6p s ARG 44 Ca 0.52 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.73 1u6p s ARG 44 Cb 0.19 0.49 0.01 0.00 -1.56 0.00 0.00 34.95 34.07 1u6p s ARG 44 CO -0.02 -0.49 0.34 0.20 -0.81 0.00 0.00 175.30 174.51 1u6p s GLY 45 N -2.66 2.37 0.10 8.12 0.00 -1.26 -4.69 107.32 109.30 1u6p s GLY 45 Ca 0.04 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.30 1u6p s GLY 45 CO -0.09 -1.92 0.11 -1.55 0.00 0.00 0.00 173.10 169.66 1u6p n PRO 46 N -1.61 -0.65 -3.68 2.90 -0.04 -1.26 -5.20 135.00 125.45 1u6p n PRO 46 Ca -0.02 -0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 1u6p n PRO 46 Cb 0.64 -0.14 -0.02 0.00 -0.04 0.00 0.00 33.50 33.94 1u6p n PRO 46 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1u6p s ARG 47 N -3.25 1.59 -0.41 0.54 1.70 -1.26 -5.06 118.95 112.80 1u6p s ARG 47 Ca 0.07 -0.78 -0.06 0.00 -0.47 0.00 0.00 55.73 54.48 1u6p s ARG 47 Cb -0.00 0.60 0.09 0.00 -0.57 0.00 0.00 34.95 35.07 1u6p s ARG 47 CO 0.05 -0.72 0.23 0.20 -1.08 0.00 0.00 175.30 173.98 1u6p s GLY 48 N -2.85 1.96 0.95 3.88 0.00 -1.26 -5.09 107.32 104.91 1u6p s GLY 48 Ca 0.07 -2.30 -0.13 0.00 0.00 0.00 0.00 44.72 42.36 1u6p s GLY 48 CO -0.01 0.98 1.15 2.56 0.00 0.00 0.00 173.10 177.78 1u6p s PRO 49 N 1.30 0.84 -0.03 2.90 0.04 -1.26 -5.07 135.00 133.73 1u6p s PRO 49 Ca 0.04 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.29 1u6p s PRO 49 Cb -0.23 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1u6p s PRO 49 CO -0.01 -2.38 -0.09 -0.98 0.04 0.00 0.00 177.00 173.59 1u6p s ARG 50 N -5.36 2.58 0.07 4.56 1.70 -1.26 -5.09 118.95 116.15 1u6p s ARG 50 Ca 0.66 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 54.93 1u6p s ARG 50 Cb -0.13 -2.49 -0.06 0.00 -0.57 0.00 0.00 34.95 31.70 1u6p s ARG 50 CO 0.54 0.62 1.16 -1.25 -1.08 0.00 0.00 175.30 175.29 1u6p s PRO 51 N -1.11 4.47 -0.72 3.89 0.04 -1.26 -4.90 135.00 135.42 1u6p s PRO 51 Ca 0.14 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1u6p s PRO 51 Cb -0.11 -3.35 -0.22 0.00 0.04 0.00 0.00 34.50 30.86 1u6p s PRO 51 CO 0.04 -0.19 1.87 0.94 0.04 0.00 0.00 177.00 179.71 1u6p n GLN 52 N 3.69 0.84 -1.57 4.56 7.27 -1.26 -4.85 117.38 126.06 1u6p n GLN 52 Ca 0.08 -1.73 -0.41 0.00 0.07 0.00 0.00 57.00 55.00 1u6p n GLN 52 Cb 0.47 -3.19 -0.04 0.00 2.41 0.00 0.00 30.24 29.89 1u6p n GLN 52 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1u6p n THR 53 N 7.30 0.17 -3.24 1.69 -1.04 -1.26 -4.91 114.28 112.99 1u6p n THR 53 Ca 0.46 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.05 61.50 1u6p n THR 53 Cb 0.44 -2.55 -0.08 0.00 -1.82 0.00 0.00 70.33 66.32 1u6p n THR 53 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1u6p s SER 54 N 9.72 6.36 0.02 8.00 0.01 -1.26 -4.97 113.70 131.58 1u6p s SER 54 Ca 1.01 0.19 -0.26 0.00 1.31 0.00 0.00 55.95 58.20 1u6p s SER 54 Cb -0.33 -2.27 -0.14 0.00 0.21 0.00 0.00 66.02 63.48 1u6p s SER 54 CO 0.33 -0.40 1.17 0.25 0.41 0.00 0.00 173.24 175.00 1u6p h LEU 55 N 8.98 -0.80 0.00 2.44 7.12 -2.03 -3.57 115.31 127.45 1u6p h LEU 55 Ca -0.28 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1u6p h LEU 55 Cb 1.13 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1u6p h LEU 55 CO 0.75 -0.47 0.00 -0.11 -0.13 0.00 0.00 178.44 178.48