#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 0.02 0.22 0.00 -4.23 -1.26 -4.98 115.64 105.41 1u6p s THR 2 Ca 0.00 -1.70 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1u6p s THR 2 Cb 0.00 -0.99 0.18 0.00 1.34 0.00 0.00 72.50 73.03 1u6p s THR 2 CO 0.00 -0.91 1.84 -0.37 -0.54 0.00 0.00 174.62 174.64 1u6p h VAL 3 N 4.94 1.24 -6.92 2.29 -1.51 -2.08 -3.46 116.25 110.75 1u6p h VAL 3 Ca 0.10 -0.60 -0.50 0.00 -1.23 0.00 0.00 66.70 64.47 1u6p h VAL 3 Cb 0.98 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 1u6p h VAL 3 CO 0.26 0.27 -0.89 1.33 -1.23 0.00 0.00 177.57 177.31 1u6p n VAL 4 N -4.39 -2.33 -3.79 7.19 0.24 -1.26 -4.90 118.33 109.09 1u6p n VAL 4 Ca 0.08 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.34 61.70 1u6p n VAL 4 Cb 0.09 -2.01 -0.14 0.00 -1.47 0.00 0.00 33.84 30.32 1u6p n VAL 4 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1u6p s SER 5 N -3.53 3.93 0.00 -1.34 0.15 -1.26 -4.92 113.70 106.73 1u6p s SER 5 Ca 0.32 -2.50 0.00 0.00 0.70 0.00 0.00 55.95 54.48 1u6p s SER 5 Cb -0.18 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1u6p s SER 5 CO 0.82 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.57 1u6p n GLY 6 N 3.74 2.21 3.63 9.45 0.00 -1.26 -5.01 105.19 117.94 1u6p n GLY 6 Ca 0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 1u6p n GLY 6 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u6p s GLN 7 N 0.00 0.51 0.46 1.61 2.00 -1.26 -5.18 119.66 117.80 1u6p s GLN 7 Ca 0.00 0.53 0.05 0.00 -2.00 0.00 0.00 55.36 53.94 1u6p s GLN 7 Cb 0.00 0.25 -0.04 0.00 0.80 0.00 0.00 33.01 34.02 1u6p s GLN 7 CO 0.00 -0.08 0.06 0.15 -0.50 0.00 0.00 175.29 174.92 1u6p s LYS 8 N 0.05 2.11 -0.96 1.67 -0.14 -1.26 -5.00 119.74 116.21 1u6p s LYS 8 Ca 0.03 -2.19 -0.31 0.00 -1.36 0.00 0.00 55.97 52.14 1u6p s LYS 8 Cb -0.04 -1.67 -0.21 0.00 -1.68 0.00 0.00 37.83 34.22 1u6p s LYS 8 CO -0.05 -0.22 2.62 1.04 -0.76 0.00 0.00 175.35 177.98 1u6p n GLN 9 N -1.18 0.00 -3.90 1.68 3.00 -1.26 -4.82 117.38 110.91 1u6p n GLN 9 Ca -0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.80 1u6p n GLN 9 Cb 0.66 -1.47 -0.06 0.00 0.00 0.00 0.00 30.24 29.38 1u6p n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1u6p s ASP 10 N 8.69 -0.07 0.98 1.08 1.11 -1.26 -5.15 116.67 122.06 1u6p s ASP 10 Ca 1.33 -0.76 -0.17 0.00 0.18 0.00 0.00 52.55 53.14 1u6p s ASP 10 Cb -1.25 0.49 -0.13 0.00 1.07 0.00 0.00 42.92 43.11 1u6p s ASP 10 CO 0.49 -0.97 -0.67 -2.11 1.18 0.00 0.00 175.17 173.09 1u6p n ARG 11 N -0.27 -0.03 -3.71 8.23 0.00 -1.26 -4.98 116.66 114.64 1u6p n ARG 11 Ca -0.08 -0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.56 1u6p n ARG 11 Cb 0.63 -1.09 -0.04 0.00 -0.00 0.00 0.00 32.46 31.96 1u6p n ARG 11 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1u6p s GLN 12 N -2.15 2.52 -0.06 2.89 -2.07 -1.26 -5.13 119.66 114.40 1u6p s GLN 12 Ca 0.42 -1.53 -0.31 0.00 -1.82 0.00 0.00 55.36 52.11 1u6p s GLN 12 Cb -0.19 -2.33 0.12 0.00 -1.09 0.00 0.00 33.01 29.52 1u6p s GLN 12 CO 0.81 -0.11 1.25 0.20 -1.32 0.00 0.00 175.29 176.12 1u6p s GLY 13 N -4.06 -0.37 0.00 2.60 0.00 -1.26 -5.17 107.32 99.06 1u6p s GLY 13 Ca 0.45 0.92 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1u6p s GLY 13 CO 0.27 0.23 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1u6p n GLY 14 N -0.38 3.57 1.88 0.20 0.00 -1.26 -5.12 105.19 104.08 1u6p n GLY 14 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1u6p n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u6p n GLU 15 N 0.00 -4.56 -4.30 1.61 1.02 -1.26 -5.05 120.64 108.11 1u6p n GLU 15 Ca 0.00 3.33 -0.18 0.00 -0.02 0.00 0.00 57.16 60.29 1u6p n GLU 15 Cb 0.00 -3.66 -0.15 0.00 -0.02 0.00 0.00 31.44 27.62 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 -1.00 0.66 -0.49 3.49 0.52 -1.26 -5.05 118.95 115.81 1u6p s ARG 16 Ca 0.00 -0.27 0.05 0.00 -0.52 0.00 0.00 55.73 54.99 1u6p s ARG 16 Cb 0.00 -0.64 0.20 0.00 0.52 0.00 0.00 34.95 35.03 1u6p s ARG 16 CO 0.00 0.15 0.79 -2.13 0.02 0.00 0.00 175.30 174.13 1u6p n ARG 17 N 2.98 0.48 -1.98 3.54 0.63 -1.26 -4.93 116.66 116.13 1u6p n ARG 17 Ca -0.14 -1.84 0.00 0.00 -0.92 0.00 0.00 57.85 54.95 1u6p n ARG 17 Cb 0.57 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.25 1u6p n ARG 17 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1u6p n ARG 18 N 2.84 -2.30 -0.24 -0.14 1.85 -1.26 -4.71 116.66 112.69 1u6p n ARG 18 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1u6p n ARG 18 Cb 0.58 -4.29 0.07 0.00 -1.05 0.00 0.00 32.46 27.77 1u6p n ARG 18 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1u6p h SER 19 N 0.00 -0.69 -0.34 2.89 0.87 -1.97 -2.19 113.55 112.12 1u6p h SER 19 Ca 0.00 0.21 -0.26 0.00 -1.23 0.00 0.00 61.79 60.51 1u6p h SER 19 Cb 0.65 0.45 -0.27 0.00 -0.44 0.00 0.00 62.40 62.79 1u6p h SER 19 CO 0.00 -0.24 -0.78 1.67 -0.53 0.00 0.00 176.83 176.95 1u6p n GLN 20 N -5.47 2.15 -1.60 2.24 7.27 -1.26 -5.05 117.38 115.66 1u6p n GLN 20 Ca 0.09 -3.48 -0.44 0.00 0.07 0.00 0.00 57.00 53.24 1u6p n GLN 20 Cb 0.36 -1.64 -0.03 0.00 2.41 0.00 0.00 30.24 31.34 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1u6p n LEU 21 N -0.67 3.38 -4.90 1.69 0.00 -0.83 -4.94 117.00 110.73 1u6p n LEU 21 Ca 0.25 0.41 -0.31 0.00 0.00 0.00 0.00 56.01 56.35 1u6p n LEU 21 Cb 0.87 -1.52 -0.05 0.00 0.00 0.00 0.00 43.42 42.73 1u6p n LEU 21 CO 0.14 -0.47 0.02 -0.62 0.00 0.00 0.00 177.39 176.46 1u6p s ASP 22 N 7.21 6.48 0.00 1.96 -1.08 -1.26 -4.95 116.67 125.03 1u6p s ASP 22 Ca 0.99 0.57 0.10 0.00 -0.52 0.00 0.00 52.55 53.69 1u6p s ASP 22 Cb -0.42 -2.08 0.50 0.00 -1.46 0.00 0.00 42.92 39.46 1u6p s ASP 22 CO 0.39 0.06 1.18 0.54 0.52 0.00 0.00 175.17 177.86 1u6p n ARG 23 N 0.08 0.15 -1.10 4.34 5.12 -1.26 -1.26 116.66 122.74 1u6p n ARG 23 Ca -0.02 0.18 0.05 0.00 -1.93 0.00 0.00 57.85 56.12 1u6p n ARG 23 Cb 0.52 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.27 1.22 -4.20 0.55 -0.08 -1.26 -5.07 116.55 106.44 1u6p n ASP 24 Ca 0.05 -2.66 -0.26 0.00 -1.51 0.00 0.00 54.79 50.41 1u6p n ASP 24 Cb 0.07 -0.37 -0.05 0.00 2.34 0.00 0.00 41.12 43.11 1u6p n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u6p n GLN 25 N -0.12 0.98 -4.58 -0.67 6.02 -0.39 -1.43 117.38 117.19 1u6p n GLN 25 Ca 0.10 -3.01 -0.34 0.00 -0.01 0.00 0.00 57.00 53.74 1u6p n GLN 25 Cb 0.96 0.77 -0.12 0.00 1.02 0.00 0.00 30.24 32.86 1u6p n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u6p n ALA 27 N 2.98 4.34 0.06 0.00 0.00 -1.26 -2.23 120.51 124.40 1u6p n ALA 27 Ca -0.18 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.42 1u6p n ALA 27 Cb 0.53 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.34 -0.65 0.57 0.00 4.19 -1.26 -4.84 117.16 114.83 1u6p n TYR 28 Ca 0.36 0.11 0.11 0.00 3.31 0.00 0.00 57.90 61.80 1u6p n TYR 28 Cb 1.21 0.21 0.05 0.00 0.49 0.00 0.00 39.34 41.30 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 -1.99 -0.37 -1.65 0.00 4.76 -0.95 -5.03 118.16 112.94 1u6p n LYS 30 Ca 0.02 0.39 -0.21 0.00 -2.87 0.00 0.00 58.31 55.63 1u6p n LYS 30 Cb 0.44 -4.13 0.14 0.00 -1.84 0.00 0.00 35.03 29.64 1u6p n LYS 30 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1u6p n GLU 31 N -1.95 -0.70 -4.05 1.97 1.02 -1.25 -4.71 120.64 110.96 1u6p n GLU 31 Ca -0.05 -1.73 -0.22 0.00 -0.02 0.00 0.00 57.16 55.13 1u6p n GLU 31 Cb 0.41 -0.90 -0.17 0.00 -0.02 0.00 0.00 31.44 30.76 1u6p n GLU 31 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1u6p s LYS 32 N -5.03 0.98 0.00 3.49 2.36 -1.26 -0.50 119.74 119.79 1u6p s LYS 32 Ca 0.56 -0.10 0.00 0.00 -2.55 0.00 0.00 55.97 53.88 1u6p s LYS 32 Cb -0.02 -1.07 0.00 0.00 -1.05 0.00 0.00 37.83 35.69 1u6p s LYS 32 CO 0.39 -0.16 0.00 0.41 1.55 0.00 0.00 175.35 177.53 1u6p n GLY 33 N 4.49 3.98 3.72 5.54 0.00 -0.52 -5.00 105.19 117.41 1u6p n GLY 33 Ca -0.17 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 2.61 0.36 1.61 -3.43 -1.26 -4.93 115.29 110.25 1u6p s HIS 34 Ca 0.00 -0.56 0.08 0.00 -0.80 0.00 0.00 55.06 53.77 1u6p s HIS 34 Cb 0.00 -1.89 -0.02 0.00 -1.43 0.00 0.00 32.58 29.24 1u6p s HIS 34 CO 0.00 0.23 0.33 -1.58 -2.00 0.00 0.00 174.74 171.72 1u6p s TRP 35 N -2.58 2.85 0.29 0.38 0.52 -1.26 -2.87 118.94 116.26 1u6p s TRP 35 Ca 0.40 -0.36 -0.01 0.00 0.02 0.00 0.00 56.10 56.15 1u6p s TRP 35 Cb 0.03 -1.93 0.46 0.00 -1.15 0.00 0.00 33.47 30.88 1u6p s TRP 35 CO 0.22 0.08 1.93 0.00 0.02 0.00 0.00 176.95 179.19 1u6p h ALA 36 N 1.16 1.44 0.00 0.98 0.00 -1.90 0.61 119.26 121.55 1u6p h ALA 36 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1u6p h ALA 36 Cb 1.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1u6p h ALA 36 CO 0.58 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.92 1u6p n LYS 37 N -4.45 0.23 -0.66 0.00 4.01 -1.26 -1.43 118.16 114.60 1u6p n LYS 37 Ca 0.12 0.13 0.04 0.00 -0.51 0.00 0.00 58.31 58.10 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 -3.47 -1.11 0.00 0.00 177.40 172.82 1u6p n ASP 38 N -1.25 1.12 -4.73 4.39 -0.08 0.18 -5.07 116.55 111.12 1u6p n ASP 38 Ca 0.07 -2.60 -0.42 0.00 -1.51 0.00 0.00 54.79 50.34 1u6p n ASP 38 Cb 0.10 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 43.19 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 3.09 0.75 0.04 0.00 -0.04 -1.26 -2.02 135.00 135.56 1u6p n PRO 40 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1u6p n PRO 40 Cb 0.44 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.54 -1.49 0.54 5.02 -1.26 -4.91 118.16 115.66 1u6p n LYS 41 Ca 0.16 -0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 1u6p n LYS 41 Cb 0.07 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.30 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 -2.31 0.00 -1.80 1.97 5.02 -0.86 -4.84 118.16 115.35 1u6p n LYS 42 Ca -0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 1u6p n LYS 42 Cb 0.53 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.07 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 8.91 3.14 0.03 1.97 0.04 -1.26 -5.08 135.00 142.75 1u6p s PRO 43 Ca 1.35 1.06 0.02 0.00 0.04 0.00 0.00 61.00 63.46 1u6p s PRO 43 Cb -1.26 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1u6p s PRO 43 CO 0.49 -0.94 -0.06 -0.98 0.04 0.00 0.00 177.00 175.55 1u6p s ARG 44 N -4.60 0.44 0.33 4.56 1.70 -1.26 -5.11 118.95 115.01 1u6p s ARG 44 Ca 0.60 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 55.28 1u6p s ARG 44 Cb -0.15 -0.23 0.00 0.00 -0.57 0.00 0.00 34.95 34.01 1u6p s ARG 44 CO 0.46 0.04 0.00 0.41 -1.08 0.00 0.00 175.30 175.14 1u6p n GLY 45 N 1.86 -1.99 3.80 3.88 0.00 -1.26 -4.97 105.19 106.52 1u6p n GLY 45 Ca -0.20 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1u6p n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6p s PRO 46 N -1.59 1.98 -0.38 1.61 0.04 -1.26 -5.15 135.00 130.26 1u6p s PRO 46 Ca 0.00 0.59 0.12 0.00 0.04 0.00 0.00 61.00 61.75 1u6p s PRO 46 Cb 0.00 -1.91 0.40 0.00 0.04 0.00 0.00 34.50 33.03 1u6p s PRO 46 CO 0.00 -1.68 1.14 2.89 0.04 0.00 0.00 177.00 179.39 1u6p n ARG 47 N -3.47 1.14 0.00 4.56 1.85 -1.26 -5.03 116.66 114.45 1u6p n ARG 47 Ca 0.07 -2.46 0.00 0.00 -1.00 0.00 0.00 57.85 54.46 1u6p n ARG 47 Cb 0.57 -0.71 0.00 0.00 -1.05 0.00 0.00 32.46 31.27 1u6p n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u6p n GLY 48 N -0.23 -0.17 3.80 2.89 0.00 -1.26 -5.17 105.19 105.05 1u6p n GLY 48 Ca 0.05 0.56 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 1.81 -0.17 1.61 0.04 -1.26 -5.05 135.00 131.98 1u6p s PRO 49 Ca 0.00 0.53 -0.05 0.00 0.04 0.00 0.00 61.00 61.53 1u6p s PRO 49 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1u6p s PRO 49 CO 0.00 -1.79 -0.01 0.50 0.04 0.00 0.00 177.00 175.74 1u6p s ARG 50 N -5.20 3.73 0.61 4.56 3.52 -1.26 -5.10 118.95 119.81 1u6p s ARG 50 Ca 0.62 -0.48 -0.15 0.00 -0.13 0.00 0.00 55.73 55.59 1u6p s ARG 50 Cb -0.14 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1u6p s ARG 50 CO 0.54 0.22 1.05 -1.25 -0.81 0.00 0.00 175.30 175.05 1u6p s PRO 51 N 0.45 3.28 -0.29 5.12 0.04 -1.26 -5.07 135.00 137.26 1u6p s PRO 51 Ca -0.02 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 1u6p s PRO 51 Cb -0.14 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.50 1u6p s PRO 51 CO 0.02 -0.84 0.87 1.14 0.04 0.00 0.00 177.00 178.24 1u6p s GLN 52 N -4.31 0.46 -0.03 4.56 -2.07 -1.26 -5.16 119.66 111.85 1u6p s GLN 52 Ca 0.62 0.91 0.01 0.00 -1.82 0.00 0.00 55.36 55.08 1u6p s GLN 52 Cb -0.15 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.05 1u6p s GLN 52 CO 0.41 -0.12 -0.05 -0.08 -1.32 0.00 0.00 175.29 174.14 1u6p s THR 53 N 1.83 0.49 0.20 3.63 -1.32 -1.26 -5.15 115.64 114.07 1u6p s THR 53 Ca -0.08 -0.16 0.07 0.00 -1.21 0.00 0.00 61.69 60.32 1u6p s THR 53 Cb -0.05 -0.49 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1u6p s THR 53 CO -0.17 0.19 0.06 -0.44 -2.21 0.00 0.00 174.62 172.05 1u6p s SER 54 N 0.55 4.99 0.25 8.08 0.01 -1.26 -5.13 113.70 121.20 1u6p s SER 54 Ca -0.07 -0.37 -0.22 0.00 1.31 0.00 0.00 55.95 56.60 1u6p s SER 54 Cb -0.11 -1.12 0.04 0.00 0.21 0.00 0.00 66.02 65.04 1u6p s SER 54 CO -0.00 0.05 0.81 -0.22 0.41 0.00 0.00 173.24 174.29 1u6p s LEU 55 N -3.26 -0.20 0.00 2.44 0.20 -1.26 -5.38 118.68 111.22 1u6p s LEU 55 Ca 0.30 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.52 1u6p s LEU 55 Cb -0.09 2.55 0.00 0.00 -0.43 0.00 0.00 46.19 48.22 1u6p s LEU 55 CO 0.21 -1.23 0.16 -0.11 -0.29 0.00 0.00 176.35 175.09