#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p n THR 2 N 0.00 -4.96 -2.43 0.00 -1.04 -1.26 -4.96 114.28 99.63 1u6p n THR 2 Ca 0.00 2.20 -0.01 0.00 -2.04 0.00 0.00 64.05 64.20 1u6p n THR 2 Cb 0.00 -3.03 -0.01 0.00 -1.82 0.00 0.00 70.33 65.47 1u6p n THR 2 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1u6p n VAL 3 N -0.50-10.26 0.00 12.58 0.31 -1.26 -5.03 118.33 114.17 1u6p n VAL 3 Ca 0.00 1.71 0.00 0.00 -0.01 0.00 0.00 64.34 66.04 1u6p n VAL 3 Cb 0.00 -6.21 0.00 0.00 -0.91 0.00 0.00 33.84 26.72 1u6p n VAL 3 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1u6p n VAL 4 N 0.80 0.00 -3.64 2.52 3.14 -1.26 -5.14 118.33 114.75 1u6p n VAL 4 Ca -0.11 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.24 1u6p n VAL 4 Cb 0.16 -0.40 -0.06 0.00 -1.06 0.00 0.00 33.84 32.49 1u6p n VAL 4 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1u6p s SER 5 N -4.48 -0.09 0.00 6.55 1.04 -1.26 -5.18 113.70 110.28 1u6p s SER 5 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1u6p s SER 5 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1u6p s SER 5 CO 0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1u6p n GLY 6 N 1.17 2.06 1.83 7.32 0.00 -1.26 -5.10 105.19 111.21 1u6p n GLY 6 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.38 0.00 -2.97 1.61 6.02 -1.26 -5.09 117.38 115.31 1u6p n GLN 7 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1u6p n GLN 7 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1u6p n GLN 7 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1u6p n LYS 8 N -3.33 -2.14 -4.87 -1.09 5.02 -1.26 -5.01 118.16 105.49 1u6p n LYS 8 Ca 0.00 1.93 -0.33 0.00 -2.02 0.00 0.00 58.31 57.89 1u6p n LYS 8 Cb 0.00 -5.31 -0.15 0.00 -0.02 0.00 0.00 35.03 29.55 1u6p n LYS 8 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1u6p s GLN 9 N -2.72 3.25 0.45 1.97 0.74 -1.26 -5.11 119.66 116.98 1u6p s GLN 9 Ca 0.21 -0.76 -0.21 0.00 0.05 0.00 0.00 55.36 54.65 1u6p s GLN 9 Cb -0.05 -2.53 -0.10 0.00 1.10 0.00 0.00 33.01 31.43 1u6p s GLN 9 CO 0.78 0.16 0.99 0.34 -0.55 0.00 0.00 175.29 177.02 1u6p s ASP 10 N 0.44 6.68 -0.30 6.67 -1.08 -1.26 -5.03 116.67 122.79 1u6p s ASP 10 Ca -0.12 1.82 -0.15 0.00 -0.52 0.00 0.00 52.55 53.57 1u6p s ASP 10 Cb -0.16 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 38.93 1u6p s ASP 10 CO 0.06 -0.54 1.18 -0.13 0.52 0.00 0.00 175.17 176.25 1u6p s ARG 11 N -3.13 0.01 0.27 4.34 1.81 -1.26 -5.18 118.95 115.81 1u6p s ARG 11 Ca 0.64 0.00 0.02 0.00 -1.72 0.00 0.00 55.73 54.67 1u6p s ARG 11 Cb -0.13 0.00 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 1u6p s ARG 11 CO 0.17 -0.01 0.12 1.14 -0.68 0.00 0.00 175.30 176.04 1u6p s GLN 12 N 2.58 1.46 0.00 3.54 1.03 -1.26 -5.09 119.66 121.92 1u6p s GLN 12 Ca 0.26 -1.80 0.00 0.00 0.04 0.00 0.00 55.36 53.85 1u6p s GLN 12 Cb 0.03 -0.16 0.00 0.00 0.03 0.00 0.00 33.01 32.90 1u6p s GLN 12 CO -0.20 -0.36 0.00 0.41 -2.54 0.00 0.00 175.29 172.60 1u6p n GLY 13 N -0.49 1.64 2.22 2.60 0.00 -1.26 -5.10 105.19 104.80 1u6p n GLY 13 Ca 0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 1u6p n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6p n GLY 14 N 0.00 3.07 3.31 -0.02 0.00 -1.26 -5.07 105.19 105.22 1u6p n GLY 14 Ca 0.00 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1u6p n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u6p s GLU 15 N -1.67 2.68 -0.06 1.61 2.12 -1.26 -5.05 118.70 117.08 1u6p s GLU 15 Ca 0.37 -1.26 -0.13 0.00 0.36 0.00 0.00 54.97 54.31 1u6p s GLU 15 Cb 0.26 -3.69 0.03 0.00 0.26 0.00 0.00 34.13 30.98 1u6p s GLU 15 CO -0.10 -0.80 0.31 1.03 -0.54 0.00 0.00 175.26 175.16 1u6p s ARG 16 N 1.47 0.54 0.29 4.30 1.81 -1.26 -5.17 118.95 120.92 1u6p s ARG 16 Ca 0.02 0.07 0.06 0.00 -1.72 0.00 0.00 55.73 54.16 1u6p s ARG 16 Cb -0.21 0.24 -0.06 0.00 -0.45 0.00 0.00 34.95 34.48 1u6p s ARG 16 CO 0.04 -0.12 -0.04 1.03 -0.68 0.00 0.00 175.30 175.52 1u6p s ARG 17 N -0.69 1.57 -0.75 3.54 3.00 -1.26 -5.08 118.95 119.28 1u6p s ARG 17 Ca -0.08 -1.81 0.03 0.00 0.00 0.00 0.00 55.73 53.88 1u6p s ARG 17 Cb -0.04 -1.14 0.28 0.00 0.00 0.00 0.00 34.95 34.05 1u6p s ARG 17 CO 0.02 0.01 0.98 0.54 0.00 0.00 0.00 175.30 176.86 1u6p n ARG 18 N -0.60 3.18 -3.46 3.54 1.74 -1.26 -4.79 116.66 115.01 1u6p n ARG 18 Ca -0.05 -4.68 -0.25 0.00 -0.77 0.00 0.00 57.85 52.10 1u6p n ARG 18 Cb 0.64 -2.32 0.03 0.00 -1.02 0.00 0.00 32.46 29.78 1u6p n ARG 18 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1u6p n SER 19 N 0.76 -5.09 -3.19 0.55 7.64 -1.26 -0.35 113.62 112.69 1u6p n SER 19 Ca 0.30 -0.50 -0.23 0.00 1.01 0.00 0.00 58.87 59.45 1u6p n SER 19 Cb 0.38 -4.10 0.03 0.00 -1.01 0.00 0.00 64.21 59.51 1u6p n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6p n GLN 20 N -4.26 -4.89 -1.44 1.43 6.02 -1.26 -4.86 117.38 108.12 1u6p n GLN 20 Ca -0.02 0.79 -0.44 0.00 -0.01 0.00 0.00 57.00 57.32 1u6p n GLN 20 Cb 0.56 -5.64 -0.01 0.00 1.02 0.00 0.00 30.24 26.17 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1u6p n LEU 21 N -4.09 -0.38 -4.46 1.08 0.00 0.53 -4.97 117.00 104.70 1u6p n LEU 21 Ca -0.07 1.00 -0.27 0.00 0.00 0.00 0.00 56.01 56.67 1u6p n LEU 21 Cb 0.59 -1.07 -0.11 0.00 0.00 0.00 0.00 43.42 42.83 1u6p n LEU 21 CO 0.51 -2.83 -0.50 -0.62 0.00 0.00 0.00 177.39 173.96 1u6p s ASP 22 N -0.90 3.65 0.00 1.96 2.15 -1.26 -4.98 116.67 117.30 1u6p s ASP 22 Ca 0.62 -0.80 0.11 0.00 0.43 0.00 0.00 52.55 52.91 1u6p s ASP 22 Cb -0.70 -0.38 0.61 0.00 -0.30 0.00 0.00 42.92 42.15 1u6p s ASP 22 CO 0.59 0.11 1.22 -1.14 -0.17 0.00 0.00 175.17 175.78 1u6p n ARG 23 N 0.17 0.22 -1.18 4.34 3.00 -1.26 -1.41 116.66 120.55 1u6p n ARG 23 Ca -0.12 0.12 0.04 0.00 -0.00 0.00 0.00 57.85 57.90 1u6p n ARG 23 Cb 0.56 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.59 1u6p n ARG 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1u6p n ASP 24 N -1.19 1.16 -4.58 6.15 2.03 -1.26 -5.06 116.55 113.79 1u6p n ASP 24 Ca 0.06 -2.52 -0.27 0.00 0.52 0.00 0.00 54.79 52.59 1u6p n ASP 24 Cb 0.07 -0.36 -0.11 0.00 -0.72 0.00 0.00 41.12 40.01 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1u6p s GLN 25 N -0.90 1.89 -0.16 -0.67 0.74 -0.50 -1.37 119.66 118.69 1u6p s GLN 25 Ca 0.33 -2.04 -0.07 0.00 0.05 0.00 0.00 55.36 53.64 1u6p s GLN 25 Cb 0.36 -1.60 -0.04 0.00 1.10 0.00 0.00 33.01 32.83 1u6p s GLN 25 CO -0.13 0.00 0.06 0.00 -0.55 0.00 0.00 175.29 174.68 1u6p n ALA 27 N 3.14 4.96 0.09 0.00 0.00 -1.26 -2.03 120.51 125.41 1u6p n ALA 27 Ca -0.17 -2.21 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1u6p n ALA 27 Cb 0.53 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.65 -1.37 0.76 0.00 4.19 -1.26 -4.86 117.16 113.98 1u6p n TYR 28 Ca 0.45 0.24 0.09 0.00 3.31 0.00 0.00 57.90 61.99 1u6p n TYR 28 Cb 1.24 0.37 -0.11 0.00 0.49 0.00 0.00 39.34 41.33 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 -1.55 -0.49 -3.27 0.00 4.01 -0.86 -5.00 118.16 111.00 1u6p n LYS 30 Ca 0.03 0.59 -0.38 0.00 -0.51 0.00 0.00 58.31 58.04 1u6p n LYS 30 Cb 0.32 -4.41 -0.06 0.00 -0.51 0.00 0.00 35.03 30.38 1u6p n LYS 30 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1u6p s GLU 31 N -3.19 4.19 -0.19 1.97 2.02 -1.25 -4.67 118.70 117.58 1u6p s GLU 31 Ca 0.00 0.73 -0.15 0.00 0.02 0.00 0.00 54.97 55.57 1u6p s GLU 31 Cb 0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1u6p s GLU 31 CO 0.00 0.60 0.35 -1.59 0.02 0.00 0.00 175.26 174.64 1u6p s LYS 32 N -1.29 4.20 0.00 1.61 -2.85 -1.26 0.48 119.74 120.63 1u6p s LYS 32 Ca 0.31 0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 1u6p s LYS 32 Cb -0.19 -3.50 0.00 0.00 -2.06 0.00 0.00 37.83 32.09 1u6p s LYS 32 CO 0.19 0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.12 1u6p n GLY 33 N 3.75 3.99 3.80 0.59 0.00 -0.47 -5.00 105.19 111.85 1u6p n GLY 33 Ca -0.10 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 1.95 0.34 1.61 -3.43 -1.26 -4.94 115.29 109.56 1u6p s HIS 34 Ca 0.00 -0.84 0.08 0.00 -0.80 0.00 0.00 55.06 53.50 1u6p s HIS 34 Cb 0.00 -1.78 -0.03 0.00 -1.43 0.00 0.00 32.58 29.33 1u6p s HIS 34 CO 0.00 -0.00 0.22 -1.58 -2.00 0.00 0.00 174.74 171.38 1u6p s TRP 35 N -2.79 2.80 0.27 0.38 0.52 -1.26 -3.06 118.94 115.79 1u6p s TRP 35 Ca 0.23 -0.35 -0.04 0.00 0.02 0.00 0.00 56.10 55.96 1u6p s TRP 35 Cb 0.01 -1.74 0.36 0.00 -1.15 0.00 0.00 33.47 30.95 1u6p s TRP 35 CO 0.13 0.24 1.91 0.00 0.02 0.00 0.00 176.95 179.26 1u6p h ALA 36 N 1.38 1.36 0.00 0.98 0.00 -1.90 0.60 119.26 121.68 1u6p h ALA 36 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1u6p h ALA 36 Cb 1.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1u6p h ALA 36 CO 0.61 0.54 0.00 1.63 0.00 0.00 0.00 179.25 182.03 1u6p n LYS 37 N -4.44 0.40 -0.29 0.00 4.76 -1.26 -1.51 118.16 115.82 1u6p n LYS 37 Ca 0.13 0.06 0.05 0.00 -2.87 0.00 0.00 58.31 55.68 1u6p n LYS 37 Cb 0.10 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.86 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1u6p n ASP 38 N -1.14 1.15 -4.73 4.39 -0.08 0.18 -5.06 116.55 111.26 1u6p n ASP 38 Ca 0.11 -2.54 -0.42 0.00 -1.51 0.00 0.00 54.79 50.43 1u6p n ASP 38 Cb 0.10 -0.31 -0.03 0.00 2.34 0.00 0.00 41.12 43.21 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 3.14 0.75 0.05 0.00 -0.04 -1.26 -2.15 135.00 135.50 1u6p n PRO 40 Ca 0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1u6p n PRO 40 Cb 0.41 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.95 0.62 -1.47 0.54 5.02 -1.26 -4.87 118.16 115.80 1u6p n LYS 41 Ca 0.16 0.10 -0.47 0.00 -2.02 0.00 0.00 58.31 56.09 1u6p n LYS 41 Cb 0.07 -1.76 -0.08 0.00 -0.02 0.00 0.00 35.03 33.25 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 -2.69 0.86 -1.56 1.97 5.02 -0.91 -4.90 118.16 115.95 1u6p n LYS 42 Ca -0.06 0.18 -0.31 0.00 -2.02 0.00 0.00 58.31 56.11 1u6p n LYS 42 Cb 0.68 -2.46 0.07 0.00 -0.02 0.00 0.00 35.03 33.30 1u6p n LYS 42 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u6p s PRO 43 N 7.04 2.56 0.00 1.97 0.04 -1.26 -5.07 135.00 140.29 1u6p s PRO 43 Ca 1.12 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1u6p s PRO 43 Cb -0.82 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1u6p s PRO 43 CO 0.45 -1.33 0.00 -2.13 0.04 0.00 0.00 177.00 174.03 1u6p n ARG 44 N -3.26 0.00 -0.44 4.56 0.63 -1.26 -5.17 116.66 111.72 1u6p n ARG 44 Ca 0.07 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.72 1u6p n ARG 44 Cb 0.55 0.00 0.27 0.00 0.45 0.00 0.00 32.46 33.73 1u6p n ARG 44 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1u6p s GLY 45 N 0.00 1.51 0.49 5.14 0.00 -1.26 -4.78 107.32 108.42 1u6p s GLY 45 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 1u6p s GLY 45 CO 0.00 0.56 0.54 -1.55 0.00 0.00 0.00 173.10 172.65 1u6p n PRO 46 N -5.15 -1.26 -1.62 2.90 -0.04 -1.26 -5.13 135.00 123.43 1u6p n PRO 46 Ca 0.03 -0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 62.34 1u6p n PRO 46 Cb 0.55 -0.67 0.07 0.00 -0.04 0.00 0.00 33.50 33.41 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 -4.20 2.54 0.00 0.54 3.03 -1.26 -5.07 118.95 114.53 1u6p s ARG 47 Ca 0.33 0.72 0.00 0.00 2.03 0.00 0.00 55.73 58.81 1u6p s ARG 47 Cb -0.02 -1.96 0.00 0.00 -1.03 0.00 0.00 34.95 31.94 1u6p s ARG 47 CO 0.24 -1.32 0.00 0.41 -1.13 0.00 0.00 175.30 173.50 1u6p n GLY 48 N -2.22 1.82 3.78 3.88 0.00 -1.26 -5.02 105.19 106.16 1u6p n GLY 48 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1u6p n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6p s PRO 49 N 0.10 0.23 -0.04 1.61 0.04 -1.26 -5.09 135.00 130.59 1u6p s PRO 49 Ca 0.00 -0.07 -0.01 0.00 0.04 0.00 0.00 61.00 60.96 1u6p s PRO 49 Cb 0.00 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.81 1u6p s PRO 49 CO 0.00 -2.75 0.07 0.50 0.04 0.00 0.00 177.00 174.87 1u6p s ARG 50 N -5.53 0.00 0.89 4.56 3.52 -1.26 -5.16 118.95 115.97 1u6p s ARG 50 Ca 0.69 0.27 -0.12 0.00 -0.13 0.00 0.00 55.73 56.44 1u6p s ARG 50 Cb -0.09 -0.24 0.12 0.00 -1.56 0.00 0.00 34.95 33.18 1u6p s ARG 50 CO 0.54 -0.18 1.13 -1.25 -0.81 0.00 0.00 175.30 174.73 1u6p s PRO 51 N 1.20 1.34 -0.30 5.12 0.04 -1.26 -5.08 135.00 136.06 1u6p s PRO 51 Ca -0.08 0.37 -0.17 0.00 0.04 0.00 0.00 61.00 61.16 1u6p s PRO 51 Cb -0.12 -1.86 0.21 0.00 0.04 0.00 0.00 34.50 32.77 1u6p s PRO 51 CO -0.04 -2.07 1.27 -1.14 0.04 0.00 0.00 177.00 175.06 1u6p s GLN 52 N -5.25 0.04 0.33 4.56 0.74 -1.26 -5.18 119.66 113.63 1u6p s GLN 52 Ca 0.63 0.07 0.05 0.00 0.05 0.00 0.00 55.36 56.15 1u6p s GLN 52 Cb -0.15 0.01 -0.07 0.00 1.10 0.00 0.00 33.01 33.91 1u6p s GLN 52 CO 0.53 -0.01 0.04 0.95 -0.55 0.00 0.00 175.29 176.25 1u6p s THR 53 N 1.22 1.35 -0.29 -0.34 -4.23 -1.26 -5.14 115.64 106.95 1u6p s THR 53 Ca -0.07 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1u6p s THR 53 Cb -0.02 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 71.22 1u6p s THR 53 CO -0.11 -0.04 0.55 -0.94 -0.54 0.00 0.00 174.62 173.54 1u6p s SER 54 N -3.51 -1.05 0.03 3.99 1.04 -1.26 -5.07 113.70 107.87 1u6p s SER 54 Ca 0.35 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1u6p s SER 54 Cb 0.08 1.93 0.00 0.00 0.10 0.00 0.00 66.02 68.14 1u6p s SER 54 CO 0.15 -0.27 0.00 -0.11 0.98 0.00 0.00 173.24 173.99 1u6p n LEU 55 N 5.41 -6.17 0.00 2.42 0.00 -1.26 -5.40 117.00 112.01 1u6p n LEU 55 Ca -0.01 2.78 0.00 0.00 0.00 0.00 0.00 56.01 58.78 1u6p n LEU 55 Cb 0.51 -3.15 0.00 0.00 0.00 0.00 0.00 43.42 40.78 1u6p n LEU 55 CO 0.03 -2.79 0.00 0.18 0.00 0.00 0.00 177.39 174.80