#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 0.12 -0.45 0.00 2.01 -1.26 -5.09 115.64 110.97 1u6p s THR 2 Ca 0.00 -1.00 -0.42 0.00 0.31 0.00 0.00 61.69 60.57 1u6p s THR 2 Cb 0.00 -1.30 -0.17 0.00 0.01 0.00 0.00 72.50 71.04 1u6p s THR 2 CO 0.00 -0.54 2.04 1.33 -0.69 0.00 0.00 174.62 176.76 1u6p n VAL 3 N -0.11 0.07 -3.26 3.82 0.24 -1.26 -4.88 118.33 112.94 1u6p n VAL 3 Ca -0.15 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 1u6p n VAL 3 Cb 0.63 -0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 32.15 1u6p n VAL 3 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u6p s VAL 4 N 5.63 4.84 0.29 3.34 1.01 -1.26 -5.09 120.40 129.15 1u6p s VAL 4 Ca 1.14 0.63 0.04 0.00 0.00 0.00 0.00 61.98 63.79 1u6p s VAL 4 Cb -1.33 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 31.46 1u6p s VAL 4 CO 0.65 -0.17 0.36 -1.20 0.00 0.00 0.00 175.10 174.74 1u6p n SER 5 N -0.38 1.24 -4.58 3.32 7.64 -1.26 -5.02 113.62 114.57 1u6p n SER 5 Ca 0.02 -1.81 -0.41 0.00 1.01 0.00 0.00 58.87 57.67 1u6p n SER 5 Cb 0.53 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1u6p n SER 5 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1u6p s GLY 6 N -3.22 0.75 0.00 0.23 0.00 -1.26 -4.84 107.32 98.99 1u6p s GLY 6 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1u6p s GLY 6 CO 0.17 3.04 0.00 -1.06 0.00 0.00 0.00 173.10 175.26 1u6p n GLN 7 N 8.61 0.00 -3.99 2.90 6.02 -1.26 -5.18 117.38 124.49 1u6p n GLN 7 Ca 0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.04 1u6p n GLN 7 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.73 1u6p n GLN 7 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1u6p s LYS 8 N 0.00 1.97 0.02 -1.09 -2.85 -1.26 -5.18 119.74 111.34 1u6p s LYS 8 Ca 0.00 -1.58 -0.05 0.00 -1.00 0.00 0.00 55.97 53.34 1u6p s LYS 8 Cb 0.00 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1u6p s LYS 8 CO 0.00 -0.86 0.07 -1.14 0.10 0.00 0.00 175.35 173.53 1u6p s GLN 9 N -2.95 0.46 -0.12 1.78 2.00 -1.26 -5.15 119.66 114.42 1u6p s GLN 9 Ca 0.24 -0.57 0.02 0.00 -2.00 0.00 0.00 55.36 53.05 1u6p s GLN 9 Cb -0.02 0.18 0.01 0.00 0.80 0.00 0.00 33.01 33.99 1u6p s GLN 9 CO 0.16 -0.10 -0.17 0.16 -0.50 0.00 0.00 175.29 174.84 1u6p s ASP 10 N -1.62 2.64 0.12 6.67 -4.77 -1.26 -5.13 116.67 113.32 1u6p s ASP 10 Ca -0.12 -0.48 0.09 0.00 -3.30 0.00 0.00 52.55 48.73 1u6p s ASP 10 Cb -0.06 -1.19 -0.04 0.00 -1.09 0.00 0.00 42.92 40.54 1u6p s ASP 10 CO -0.01 0.02 -0.15 -0.13 0.70 0.00 0.00 175.17 175.60 1u6p s ARG 11 N 1.04 1.89 -0.42 2.11 0.52 -1.26 -5.09 118.95 117.74 1u6p s ARG 11 Ca -0.05 -1.16 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 1u6p s ARG 11 Cb -0.15 -2.16 0.17 0.00 0.52 0.00 0.00 34.95 33.33 1u6p s ARG 11 CO -0.03 0.48 0.42 -1.14 0.02 0.00 0.00 175.30 175.04 1u6p s GLN 12 N -2.25 0.84 0.06 3.54 -0.44 -1.26 -5.13 119.66 115.03 1u6p s GLN 12 Ca 0.20 -1.52 0.03 0.00 -2.50 0.00 0.00 55.36 51.56 1u6p s GLN 12 Cb -0.10 -0.95 -0.03 0.00 -1.64 0.00 0.00 33.01 30.29 1u6p s GLN 12 CO 0.12 -1.31 -0.09 0.20 0.50 0.00 0.00 175.29 174.70 1u6p s GLY 13 N 0.65 0.65 -0.00 2.59 0.00 -1.26 -5.16 107.32 104.79 1u6p s GLY 13 Ca 0.27 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 44.08 1u6p s GLY 13 CO -0.11 -1.02 -0.14 -0.32 0.00 0.00 0.00 173.10 171.52 1u6p s GLY 14 N -1.98 0.69 0.03 0.20 0.00 -1.26 -5.15 107.32 99.86 1u6p s GLY 14 Ca -0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 1u6p s GLY 14 CO -0.00 -0.55 0.07 -0.54 0.00 0.00 0.00 173.10 172.07 1u6p s GLU 15 N -0.48 0.53 0.39 2.90 2.02 -1.26 -5.11 118.70 117.69 1u6p s GLU 15 Ca 0.05 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1u6p s GLU 15 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1u6p s GLU 15 CO -0.00 -0.12 0.00 0.54 0.02 0.00 0.00 175.26 175.70 1u6p n ARG 16 N 0.94 -2.58 -1.93 1.61 3.00 -1.26 -3.58 116.66 112.85 1u6p n ARG 16 Ca -0.20 1.91 -0.24 0.00 -0.01 0.00 0.00 57.85 59.32 1u6p n ARG 16 Cb 0.58 -3.08 -0.06 0.00 0.00 0.00 0.00 32.46 29.90 1u6p n ARG 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1u6p s ARG 17 N -2.96 2.31 -1.77 5.56 0.52 -1.26 -3.75 118.95 117.59 1u6p s ARG 17 Ca 0.00 -0.17 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 1u6p s ARG 17 Cb 0.00 -5.01 0.16 0.00 0.52 0.00 0.00 34.95 30.62 1u6p s ARG 17 CO 0.00 -3.70 0.42 0.54 0.02 0.00 0.00 175.30 172.57 1u6p n ARG 18 N 8.80 -0.89 0.00 3.54 1.74 -1.26 -0.53 116.66 128.06 1u6p n ARG 18 Ca 0.42 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1u6p n ARG 18 Cb 0.46 -4.37 0.00 0.00 -1.02 0.00 0.00 32.46 27.53 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 -2.61 0.00 0.00 0.55 7.64 -1.23 -1.45 113.62 116.52 1u6p n SER 19 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1u6p n SER 19 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 0.00 -1.43 1.43 1.13 0.32 -5.03 117.38 113.80 1u6p n GLN 20 Ca 0.00 0.00 -0.47 0.00 -1.94 0.00 0.00 57.00 54.59 1u6p n GLN 20 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.23 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1u6p n LEU 21 N 0.00 0.85 -4.80 1.08 0.00 -0.53 -4.85 117.00 108.75 1u6p n LEU 21 Ca 0.00 0.27 -0.34 0.00 0.00 0.00 0.00 56.01 55.94 1u6p n LEU 21 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 43.42 42.34 1u6p n LEU 21 CO 0.00 -0.83 0.69 -1.81 0.00 0.00 0.00 177.39 175.45 1u6p s ASP 22 N 8.32 6.66 0.00 1.96 1.11 -1.26 -4.90 116.67 128.56 1u6p s ASP 22 Ca 1.24 1.85 0.06 0.00 0.18 0.00 0.00 52.55 55.89 1u6p s ASP 22 Cb -1.16 -2.56 0.27 0.00 1.07 0.00 0.00 42.92 40.54 1u6p s ASP 22 CO 0.51 -0.56 1.19 0.54 1.18 0.00 0.00 175.17 178.04 1u6p n ARG 23 N -0.65 0.00 -0.94 8.23 5.12 -1.26 -0.97 116.66 126.19 1u6p n ARG 23 Ca 0.08 0.39 0.04 0.00 -1.93 0.00 0.00 57.85 56.43 1u6p n ARG 23 Cb 0.53 -1.50 0.15 0.00 -1.16 0.00 0.00 32.46 30.47 1u6p n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1u6p n ASP 24 N -1.49 1.60 -4.74 0.55 -0.08 -1.26 -5.05 116.55 106.07 1u6p n ASP 24 Ca 0.02 -3.32 -0.31 0.00 -1.51 0.00 0.00 54.79 49.67 1u6p n ASP 24 Cb 0.07 -0.46 -0.08 0.00 2.34 0.00 0.00 41.12 43.00 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1u6p s GLN 25 N -2.31 2.15 -0.14 -0.67 1.11 -0.14 -1.56 119.66 118.10 1u6p s GLN 25 Ca 0.37 -2.28 -0.02 0.00 0.01 0.00 0.00 55.36 53.44 1u6p s GLN 25 Cb 0.38 -1.63 -0.02 0.00 -1.01 0.00 0.00 33.01 30.73 1u6p s GLN 25 CO -0.10 -0.31 -0.08 0.00 0.01 0.00 0.00 175.29 174.82 1u6p n ALA 27 N 3.39 3.89 0.04 0.00 0.00 -1.26 -2.10 120.51 124.46 1u6p n ALA 27 Ca -0.18 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1u6p n ALA 27 Cb 0.53 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.04 -0.24 0.61 0.00 4.19 -1.26 -4.84 117.16 115.65 1u6p n TYR 28 Ca 0.27 0.04 0.11 0.00 3.31 0.00 0.00 57.90 61.63 1u6p n TYR 28 Cb 1.05 0.10 -0.05 0.00 0.49 0.00 0.00 39.34 40.93 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 -1.86 0.00 -1.17 0.00 3.00 -0.89 -5.01 118.16 112.23 1u6p n LYS 30 Ca 0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.96 1u6p n LYS 30 Cb 0.42 -0.47 0.06 0.00 0.00 0.00 0.00 35.03 35.04 1u6p n LYS 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1u6p n GLU 31 N -1.77 0.14 -4.53 1.64 4.71 -1.26 -3.81 120.64 115.75 1u6p n GLU 31 Ca 0.00 0.07 -0.33 0.00 -0.01 0.00 0.00 57.16 56.90 1u6p n GLU 31 Cb 0.00 -1.53 -0.11 0.00 -1.01 0.00 0.00 31.44 28.79 1u6p n GLU 31 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1u6p s LYS 32 N -2.36 2.61 0.00 3.49 -2.85 -1.26 0.74 119.74 120.11 1u6p s LYS 32 Ca 0.59 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1u6p s LYS 32 Cb -0.34 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 1u6p s LYS 32 CO 0.65 0.62 0.00 0.41 0.10 0.00 0.00 175.35 177.13 1u6p n GLY 33 N 1.80 3.63 3.71 0.59 0.00 -0.60 -4.97 105.19 109.35 1u6p n GLY 33 Ca -0.16 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 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 2.29 0.30 1.61 -3.43 -1.26 -4.95 115.29 109.85 1u6p s HIS 34 Ca 0.00 -0.74 0.07 0.00 -0.80 0.00 0.00 55.06 53.59 1u6p s HIS 34 Cb 0.00 -1.79 -0.03 0.00 -1.43 0.00 0.00 32.58 29.33 1u6p s HIS 34 CO 0.00 0.26 0.25 -1.58 -2.00 0.00 0.00 174.74 171.67 1u6p s TRP 35 N -2.74 2.99 0.26 0.38 0.52 -1.26 -3.28 118.94 115.81 1u6p s TRP 35 Ca 0.28 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.15 1u6p s TRP 35 Cb 0.05 -1.62 0.35 0.00 -1.15 0.00 0.00 33.47 31.10 1u6p s TRP 35 CO 0.15 0.33 1.90 0.00 0.02 0.00 0.00 176.95 179.35 1u6p h ALA 36 N 1.35 1.33 0.00 0.98 0.00 -1.90 0.67 119.26 121.70 1u6p h ALA 36 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1u6p h ALA 36 Cb 1.25 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1u6p h ALA 36 CO 0.59 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.98 1u6p n LYS 37 N -4.47 0.03 -0.13 0.00 4.01 -1.26 -1.20 118.16 115.14 1u6p n LYS 37 Ca 0.14 0.27 0.05 0.00 -0.51 0.00 0.00 58.31 58.27 1u6p n LYS 37 Cb 0.12 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 33.22 1u6p n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1u6p n ASP 38 N -1.47 1.70 -4.74 4.39 9.92 0.18 -5.05 116.55 121.48 1u6p n ASP 38 Ca 0.03 -2.53 -0.41 0.00 -0.53 0.00 0.00 54.79 51.35 1u6p n ASP 38 Cb 0.14 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u6p n PRO 40 N 2.80 0.75 0.10 0.00 -0.04 -1.26 -2.29 135.00 135.06 1u6p n PRO 40 Ca 0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1u6p n PRO 40 Cb 0.42 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1u6p n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1u6p h LYS 41 N 0.00 0.00 -5.60 0.54 3.64 -1.94 -3.45 116.57 109.76 1u6p h LYS 41 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1u6p h LYS 41 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1u6p h LYS 41 CO 0.00 0.26 1.56 1.63 -2.27 0.00 0.00 179.45 180.63 1u6p n LYS 42 N -2.98 0.55 -1.21 1.90 4.76 -0.97 -4.89 118.16 115.32 1u6p n LYS 42 Ca -0.02 0.09 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 1u6p n LYS 42 Cb 0.71 -2.19 0.19 0.00 -1.84 0.00 0.00 35.03 31.90 1u6p n LYS 42 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1u6p n PRO 43 N 8.34 -1.91 -3.86 1.97 -0.04 -1.26 -5.08 135.00 133.16 1u6p n PRO 43 Ca 0.51 -1.56 -0.24 0.00 -0.04 0.00 0.00 63.50 62.16 1u6p n PRO 43 Cb 0.18 -1.23 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 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 -5.21 1.01 0.38 0.54 3.52 -1.26 -5.13 118.95 112.80 1u6p s ARG 44 Ca 0.60 -0.06 -0.14 0.00 -0.13 0.00 0.00 55.73 56.00 1u6p s ARG 44 Cb -0.04 -1.22 0.05 0.00 -1.56 0.00 0.00 34.95 32.18 1u6p s ARG 44 CO 0.44 -0.27 0.75 0.20 -0.81 0.00 0.00 175.30 175.61 1u6p s GLY 45 N 1.78 0.50 0.66 8.12 0.00 -1.26 -4.52 107.32 112.60 1u6p s GLY 45 Ca 0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 1u6p s GLY 45 CO -0.06 -0.39 1.06 2.56 0.00 0.00 0.00 173.10 176.27 1u6p s PRO 46 N -2.41 3.10 -0.30 2.90 0.04 -1.26 -5.19 135.00 131.89 1u6p s PRO 46 Ca 0.17 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 1u6p s PRO 46 Cb -0.05 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.66 1u6p s PRO 46 CO 0.12 -0.97 1.07 0.50 0.04 0.00 0.00 177.00 177.76 1u6p s ARG 47 N -4.71 0.18 0.00 4.56 3.52 -1.26 -5.09 118.95 116.15 1u6p s ARG 47 Ca 0.60 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 1u6p s ARG 47 Cb -0.14 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1u6p s ARG 47 CO 0.48 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 1u6p n GLY 48 N 5.35 0.35 3.79 8.12 0.00 -1.26 -5.10 105.19 116.44 1u6p n GLY 48 Ca -0.07 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.05 3.95 -0.26 1.61 0.04 -1.26 -5.02 135.00 134.01 1u6p s PRO 49 Ca 0.00 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 1u6p s PRO 49 Cb 0.00 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1u6p s PRO 49 CO 0.00 -0.31 0.47 1.03 0.04 0.00 0.00 177.00 178.22 1u6p s ARG 50 N -2.93 4.06 0.91 4.56 0.52 -1.26 -5.07 118.95 119.74 1u6p s ARG 50 Ca 0.63 0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 55.95 1u6p s ARG 50 Cb -0.19 -3.65 0.14 0.00 0.52 0.00 0.00 34.95 31.78 1u6p s ARG 50 CO 0.23 -0.31 1.14 -1.25 0.02 0.00 0.00 175.30 175.13 1u6p s PRO 51 N 2.18 1.13 0.74 3.54 0.04 -1.26 -5.04 135.00 136.32 1u6p s PRO 51 Ca 0.19 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 61.40 1u6p s PRO 51 Cb -0.16 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1u6p s PRO 51 CO 0.09 -2.20 1.08 -1.14 0.04 0.00 0.00 177.00 174.87 1u6p s GLN 52 N -5.29 2.59 -0.44 4.56 0.74 -1.26 -5.04 119.66 115.52 1u6p s GLN 52 Ca 0.64 0.77 0.07 0.00 0.05 0.00 0.00 55.36 56.89 1u6p s GLN 52 Cb -0.15 -1.97 0.25 0.00 1.10 0.00 0.00 33.01 32.25 1u6p s GLN 52 CO 0.53 -1.30 0.74 -2.37 -0.55 0.00 0.00 175.29 172.34 1u6p n THR 53 N -3.23 -0.31 -3.63 -0.34 5.66 -1.26 -5.11 114.28 106.05 1u6p n THR 53 Ca 0.07 -2.71 -0.14 0.00 -3.05 0.00 0.00 64.05 58.22 1u6p n THR 53 Cb 0.55 -0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 69.20 1u6p n THR 53 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1u6p s SER 54 N -1.49 -0.73 -0.31 1.09 1.04 -1.26 -5.13 113.70 106.91 1u6p s SER 54 Ca 0.33 1.41 -0.02 0.00 0.48 0.00 0.00 55.95 58.15 1u6p s SER 54 Cb 0.21 1.43 0.12 0.00 0.10 0.00 0.00 66.02 67.88 1u6p s SER 54 CO -0.17 -0.25 0.19 -0.76 0.98 0.00 0.00 173.24 173.23 1u6p s LEU 55 N 0.36 0.52 0.00 2.42 1.43 -1.26 -5.32 118.68 116.83 1u6p s LEU 55 Ca -0.00 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 1u6p s LEU 55 Cb -0.05 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.98 1u6p s LEU 55 CO 0.01 -0.39 0.00 -0.11 0.23 0.00 0.00 176.35 176.10