#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 0.89 -0.27 0.00 -4.23 -1.26 -5.13 115.64 105.64 1u6p s THR 2 Ca 0.00 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.25 1u6p s THR 2 Cb 0.00 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.45 1u6p s THR 2 CO 0.00 0.00 1.26 0.54 -0.54 0.00 0.00 174.62 175.88 1u6p s VAL 3 N -3.26 0.00 -0.04 2.29 0.11 -1.26 -5.17 120.40 113.07 1u6p s VAL 3 Ca 0.29 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.32 1u6p s VAL 3 Cb 0.06 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1u6p s VAL 3 CO 0.14 0.00 0.10 0.54 -3.33 0.00 0.00 175.10 172.55 1u6p s VAL 4 N -0.22 -0.02 0.47 2.04 0.11 -1.26 -5.12 120.40 116.40 1u6p s VAL 4 Ca 0.05 0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.95 1u6p s VAL 4 Cb -0.04 -0.16 -0.07 0.00 -1.53 0.00 0.00 36.38 34.58 1u6p s VAL 4 CO -0.10 0.03 1.20 -0.55 -3.33 0.00 0.00 175.10 172.35 1u6p s SER 5 N 0.50 6.02 0.32 3.54 0.15 -1.26 -5.04 113.70 117.92 1u6p s SER 5 Ca -0.04 2.38 0.06 0.00 0.70 0.00 0.00 55.95 59.05 1u6p s SER 5 Cb -0.05 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1u6p s SER 5 CO -0.02 -1.03 -0.01 -0.83 1.20 0.00 0.00 173.24 172.55 1u6p s GLY 6 N -1.30 2.04 0.09 9.45 0.00 -1.26 -5.16 107.32 111.18 1u6p s GLY 6 Ca 0.65 -2.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.16 1u6p s GLY 6 CO 0.37 -1.88 0.42 -0.86 0.00 0.00 0.00 173.10 171.15 1u6p s GLN 7 N -3.77 1.02 0.06 2.90 -2.07 -1.26 -5.13 119.66 111.41 1u6p s GLN 7 Ca 0.33 -0.54 -0.09 0.00 -1.82 0.00 0.00 55.36 53.23 1u6p s GLN 7 Cb 0.06 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 1u6p s GLN 7 CO 0.14 -0.38 0.20 0.15 -1.32 0.00 0.00 175.29 174.08 1u6p s LYS 8 N -3.24 0.77 0.05 9.60 -0.14 -1.26 -5.18 119.74 120.35 1u6p s LYS 8 Ca -0.01 -0.76 -0.04 0.00 -1.36 0.00 0.00 55.97 53.81 1u6p s LYS 8 Cb 0.01 0.32 -0.02 0.00 -1.68 0.00 0.00 37.83 36.45 1u6p s LYS 8 CO -0.08 -0.23 0.05 1.14 -0.76 0.00 0.00 175.35 175.47 1u6p s GLN 9 N -3.12 0.63 0.11 1.68 -2.07 -1.26 -5.17 119.66 110.45 1u6p s GLN 9 Ca -0.01 -0.98 -0.09 0.00 -1.82 0.00 0.00 55.36 52.46 1u6p s GLN 9 Cb 0.01 0.23 -0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1u6p s GLN 9 CO -0.07 -0.15 0.22 0.34 -1.32 0.00 0.00 175.29 174.32 1u6p s ASP 10 N -2.55 0.09 0.05 12.60 -1.08 -1.26 -5.08 116.67 119.43 1u6p s ASP 10 Ca 0.01 -0.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 1u6p s ASP 10 Cb 0.03 0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1u6p s ASP 10 CO -0.08 -0.78 0.00 0.54 0.52 0.00 0.00 175.17 175.37 1u6p n ARG 11 N -0.11 0.00 -1.29 4.34 3.00 -1.26 -5.15 116.66 116.19 1u6p n ARG 11 Ca -0.13 0.00 0.16 0.00 -0.01 0.00 0.00 57.85 57.87 1u6p n ARG 11 Cb 0.63 -0.36 -0.07 0.00 0.00 0.00 0.00 32.46 32.65 1u6p n ARG 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1u6p n GLN 12 N -3.05 -2.90 0.00 5.56 6.02 -1.26 -5.00 117.38 116.75 1u6p n GLN 12 Ca 0.00 2.28 0.00 0.00 -0.01 0.00 0.00 57.00 59.27 1u6p n GLN 12 Cb 0.26 -3.42 0.00 0.00 1.02 0.00 0.00 30.24 28.10 1u6p n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u6p n GLY 13 N -4.10 1.23 3.83 1.08 0.00 -1.26 -5.16 105.19 100.80 1u6p n GLY 13 Ca -0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.07 0.35 -0.02 0.00 -1.26 -5.19 107.32 101.12 1u6p s GLY 14 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.51 1u6p s GLY 14 CO 0.00 1.85 0.83 -0.54 0.00 0.00 0.00 173.10 175.24 1u6p s GLU 15 N -2.47 2.07 -0.05 2.90 2.02 -1.26 -5.17 118.70 116.74 1u6p s GLU 15 Ca 0.19 -1.32 -0.02 0.00 0.02 0.00 0.00 54.97 53.84 1u6p s GLU 15 Cb -0.01 0.58 0.04 0.00 0.10 0.00 0.00 34.13 34.84 1u6p s GLU 15 CO 0.03 -0.97 0.10 -0.98 0.02 0.00 0.00 175.26 173.45 1u6p s ARG 16 N -2.34 0.01 0.00 1.61 1.70 -1.26 -5.09 118.95 113.58 1u6p s ARG 16 Ca 0.16 0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.77 1u6p s ARG 16 Cb -0.05 -0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.07 1u6p s ARG 16 CO 0.10 -0.21 0.00 -2.13 -1.08 0.00 0.00 175.30 171.98 1u6p n ARG 17 N 4.54 0.00 -0.88 3.89 0.63 -1.26 -5.03 116.66 118.56 1u6p n ARG 17 Ca -0.20 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.59 1u6p n ARG 17 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1u6p n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1u6p n ARG 18 N 0.00 1.70 -0.28 -0.14 1.74 -1.26 -4.62 116.66 113.79 1u6p n ARG 18 Ca 0.00 -1.24 0.26 0.00 -0.77 0.00 0.00 57.85 56.10 1u6p n ARG 18 Cb 0.00 -1.56 0.48 0.00 -1.02 0.00 0.00 32.46 30.36 1u6p n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u6p n SER 19 N 0.84 0.25 -2.74 0.55 2.88 -1.26 -1.69 113.62 112.45 1u6p n SER 19 Ca 0.26 1.46 -0.10 0.00 -1.33 0.00 0.00 58.87 59.17 1u6p n SER 19 Cb 0.58 -0.69 0.05 0.00 -0.75 0.00 0.00 64.21 63.40 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 -5.03 1.13 -3.44 -1.46 3.00 -1.26 -5.04 117.38 105.28 1u6p n GLN 20 Ca 0.32 -2.83 -0.44 0.00 -0.01 0.00 0.00 57.00 54.04 1u6p n GLN 20 Cb 1.07 -0.98 -0.04 0.00 0.00 0.00 0.00 30.24 30.29 1u6p n GLN 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1u6p s LEU 21 N -3.00 6.31 0.60 1.08 0.20 -0.68 -4.91 118.68 118.27 1u6p s LEU 21 Ca 0.27 -2.89 -0.14 0.00 0.69 0.00 0.00 54.13 52.06 1u6p s LEU 21 Cb 0.42 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 1u6p s LEU 21 CO -0.01 -0.47 1.04 -1.81 -0.29 0.00 0.00 176.35 174.81 1u6p s ASP 22 N 1.59 5.91 0.04 3.68 1.11 -1.26 -4.90 116.67 122.83 1u6p s ASP 22 Ca 0.20 1.68 0.09 0.00 0.18 0.00 0.00 52.55 54.69 1u6p s ASP 22 Cb -0.12 -2.51 0.40 0.00 1.07 0.00 0.00 42.92 41.75 1u6p s ASP 22 CO -0.08 -1.08 1.28 -1.14 1.18 0.00 0.00 175.17 175.33 1u6p n ARG 23 N -2.28 0.02 -0.85 8.23 3.00 -1.26 -1.09 116.66 122.43 1u6p n ARG 23 Ca 0.08 0.40 0.05 0.00 -0.00 0.00 0.00 57.85 58.38 1u6p n ARG 23 Cb 0.53 -1.55 0.15 0.00 0.00 0.00 0.00 32.46 31.59 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 -1.59 1.49 -4.76 6.15 8.00 -1.26 -5.05 116.55 119.53 1u6p n ASP 24 Ca 0.02 -3.29 -0.32 0.00 0.71 0.00 0.00 54.79 51.90 1u6p n ASP 24 Cb 0.09 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.66 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1u6p s GLN 25 N -2.21 2.19 -0.17 -1.24 -0.21 -0.25 -1.79 119.66 115.97 1u6p s GLN 25 Ca 0.36 -2.36 -0.10 0.00 0.02 0.00 0.00 55.36 53.28 1u6p s GLN 25 Cb 0.37 -1.57 -0.05 0.00 1.00 0.00 0.00 33.01 32.76 1u6p s GLN 25 CO -0.10 -0.35 0.17 0.00 -2.12 0.00 0.00 175.29 172.89 1u6p n ALA 27 N 3.10 3.64 0.06 0.00 0.00 -1.26 -1.95 120.51 124.11 1u6p n ALA 27 Ca -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1u6p n ALA 27 Cb 0.53 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.24 -0.41 -0.04 0.00 4.19 -1.26 -4.87 117.16 115.01 1u6p n TYR 28 Ca 0.22 0.07 0.03 0.00 3.31 0.00 0.00 57.90 61.54 1u6p n TYR 28 Cb 0.96 0.10 -0.16 0.00 0.49 0.00 0.00 39.34 40.72 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 -2.41 0.00 -1.35 0.00 4.76 -0.82 -5.02 118.16 113.32 1u6p n LYS 30 Ca -0.14 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.83 1u6p n LYS 30 Cb 0.77 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.93 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 -0.85 0.00 -3.56 1.97 4.71 -1.26 -3.33 120.64 118.32 1u6p n GLU 31 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.78 1u6p n GLU 31 Cb 0.00 -1.00 -0.07 0.00 -1.01 0.00 0.00 31.44 29.37 1u6p n GLU 31 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1u6p s LYS 32 N -0.88 4.04 0.00 3.49 2.20 -1.26 0.34 119.74 127.68 1u6p s LYS 32 Ca 0.63 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1u6p s LYS 32 Cb -0.92 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 1u6p s LYS 32 CO 0.54 0.44 0.00 0.41 -0.36 0.00 0.00 175.35 176.38 1u6p n GLY 33 N 2.73 3.66 3.63 5.54 0.00 -0.74 -4.97 105.19 115.04 1u6p n GLY 33 Ca -0.13 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 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 2.75 0.46 1.61 -3.43 -1.26 -4.92 115.29 110.49 1u6p s HIS 34 Ca 0.00 -0.18 0.03 0.00 -0.80 0.00 0.00 55.06 54.10 1u6p s HIS 34 Cb 0.00 -1.31 0.01 0.00 -1.43 0.00 0.00 32.58 29.85 1u6p s HIS 34 CO 0.00 0.54 0.66 -1.58 -2.00 0.00 0.00 174.74 172.36 1u6p s TRP 35 N -1.87 3.03 0.37 0.38 0.52 -1.26 -2.48 118.94 117.63 1u6p s TRP 35 Ca 0.28 -0.00 0.05 0.00 0.02 0.00 0.00 56.10 56.44 1u6p s TRP 35 Cb -0.08 -2.42 0.72 0.00 -1.15 0.00 0.00 33.47 30.54 1u6p s TRP 35 CO 0.18 -0.49 2.01 0.00 0.02 0.00 0.00 176.95 178.67 1u6p h ALA 36 N 0.39 1.64 0.00 0.98 0.00 -1.89 0.52 119.26 120.90 1u6p h ALA 36 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1u6p h ALA 36 Cb 1.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1u6p h ALA 36 CO 0.53 0.31 0.00 1.63 0.00 0.00 0.00 179.25 181.72 1u6p n LYS 37 N -4.46 0.06 -0.92 0.00 4.01 -1.26 -1.42 118.16 114.17 1u6p n LYS 37 Ca 0.07 0.26 0.05 0.00 -0.51 0.00 0.00 58.31 58.18 1u6p n LYS 37 Cb 0.10 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.21 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 -1.42 1.22 -4.72 4.39 2.03 0.16 -5.06 116.55 113.15 1u6p n ASP 38 Ca 0.04 -2.72 -0.41 0.00 0.52 0.00 0.00 54.79 52.21 1u6p n ASP 38 Cb 0.11 -0.37 -0.04 0.00 -0.72 0.00 0.00 41.12 40.10 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u6p n PRO 40 N 3.13 0.75 0.08 0.00 -0.04 -1.26 -2.23 135.00 135.43 1u6p n PRO 40 Ca 0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.56 1u6p n PRO 40 Cb 0.48 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1u6p n PRO 40 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1u6p h LYS 41 N 0.00 0.00 -5.91 0.54 1.57 -1.95 -3.45 116.57 107.37 1u6p h LYS 41 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1u6p h LYS 41 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1u6p h LYS 41 CO 0.00 0.19 1.48 1.63 -0.57 0.00 0.00 179.45 182.19 1u6p n LYS 42 N -2.87 1.34 -1.52 3.15 5.02 -0.95 -4.92 118.16 117.42 1u6p n LYS 42 Ca -0.04 0.33 -0.30 0.00 -2.02 0.00 0.00 58.31 56.28 1u6p n LYS 42 Cb 0.71 -2.81 0.20 0.00 -0.02 0.00 0.00 35.03 33.11 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 6.60 -0.07 -0.13 1.97 0.04 -1.26 -5.06 135.00 137.08 1u6p s PRO 43 Ca 1.06 -0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 1u6p s PRO 43 Cb -0.61 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1u6p s PRO 43 CO 0.42 -2.93 0.31 0.50 0.04 0.00 0.00 177.00 175.34 1u6p s ARG 44 N -5.60 0.28 0.50 4.56 3.52 -1.26 -5.17 118.95 115.77 1u6p s ARG 44 Ca 0.71 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.98 1u6p s ARG 44 Cb -0.08 -0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.22 1u6p s ARG 44 CO 0.54 -0.17 0.01 0.20 -0.81 0.00 0.00 175.30 175.08 1u6p s GLY 45 N 1.39 2.97 -0.08 8.12 0.00 -1.26 -4.58 107.32 113.87 1u6p s GLY 45 Ca -0.09 -0.54 -0.27 0.00 0.00 0.00 0.00 44.72 43.82 1u6p s GLY 45 CO -0.10 -2.16 0.99 -0.56 0.00 0.00 0.00 173.10 171.27 1u6p h PRO 46 N 1.41 -0.01 -6.24 2.90 0.13 -2.06 -3.51 132.00 124.62 1u6p h PRO 46 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 1u6p h PRO 46 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1u6p h PRO 46 CO 0.73 0.71 -1.05 -2.13 -0.23 0.00 0.00 178.00 176.03 1u6p n ARG 47 N -4.74 -1.39 -3.31 0.86 0.63 -1.26 -4.98 116.66 102.47 1u6p n ARG 47 Ca -0.09 1.33 -0.23 0.00 -0.92 0.00 0.00 57.85 57.93 1u6p n ARG 47 Cb 0.36 -2.19 -0.09 0.00 0.45 0.00 0.00 32.46 31.00 1u6p n ARG 47 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1u6p s GLY 48 N -1.37 0.71 1.03 5.14 0.00 -1.26 -5.13 107.32 106.44 1u6p s GLY 48 Ca 0.17 -1.98 -0.16 0.00 0.00 0.00 0.00 44.72 42.75 1u6p s GLY 48 CO 0.48 2.39 1.19 2.56 0.00 0.00 0.00 173.10 179.72 1u6p s PRO 49 N 0.41 0.18 -0.30 2.90 0.04 -1.26 -5.10 135.00 131.87 1u6p s PRO 49 Ca 0.29 -0.08 -0.18 0.00 0.04 0.00 0.00 61.00 61.07 1u6p s PRO 49 Cb -0.01 -1.76 0.20 0.00 0.04 0.00 0.00 34.50 32.96 1u6p s PRO 49 CO -0.14 -2.78 1.26 -0.98 0.04 0.00 0.00 177.00 174.41 1u6p s ARG 50 N -5.54 0.09 0.88 4.56 1.70 -1.26 -5.07 118.95 114.31 1u6p s ARG 50 Ca 0.70 0.15 -0.12 0.00 -0.47 0.00 0.00 55.73 55.99 1u6p s ARG 50 Cb -0.09 0.03 0.12 0.00 -0.57 0.00 0.00 34.95 34.43 1u6p s ARG 50 CO 0.54 -0.02 1.13 -1.25 -1.08 0.00 0.00 175.30 174.62 1u6p s PRO 51 N 0.84 1.40 0.18 3.89 0.04 -1.26 -5.09 135.00 135.01 1u6p s PRO 51 Ca -0.05 0.39 -0.21 0.00 0.04 0.00 0.00 61.00 61.17 1u6p s PRO 51 Cb -0.03 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.70 1u6p s PRO 51 CO -0.11 -2.04 0.59 1.14 0.04 0.00 0.00 177.00 176.62 1u6p s GLN 52 N -5.24 1.37 0.06 4.56 -2.07 -1.26 -5.04 119.66 112.03 1u6p s GLN 52 Ca 0.63 -0.66 -0.05 0.00 -1.82 0.00 0.00 55.36 53.47 1u6p s GLN 52 Cb -0.15 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 1u6p s GLN 52 CO 0.54 -0.60 0.08 -0.08 -1.32 0.00 0.00 175.29 173.91 1u6p s THR 53 N -3.81 0.17 0.38 3.63 -1.32 -1.26 -5.17 115.64 108.25 1u6p s THR 53 Ca 0.04 -1.39 0.08 0.00 -1.21 0.00 0.00 61.69 59.22 1u6p s THR 53 Cb -0.02 -1.27 -0.05 0.00 -1.51 0.00 0.00 72.50 69.66 1u6p s THR 53 CO -0.08 -0.77 0.16 -0.44 -2.21 0.00 0.00 174.62 171.29 1u6p s SER 54 N -2.66 4.55 0.33 8.08 0.01 -1.26 -5.13 113.70 117.61 1u6p s SER 54 Ca 0.03 -0.92 0.03 0.00 1.31 0.00 0.00 55.95 56.39 1u6p s SER 54 Cb 0.04 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1u6p s SER 54 CO -0.09 -0.42 0.13 -0.22 0.41 0.00 0.00 173.24 173.05 1u6p s LEU 55 N -3.88 1.84 0.00 2.44 2.96 -1.26 -5.23 118.68 115.56 1u6p s LEU 55 Ca 0.40 -1.53 0.07 0.00 -0.22 0.00 0.00 54.13 52.85 1u6p s LEU 55 Cb 0.00 -0.01 0.06 0.00 0.50 0.00 0.00 46.19 46.74 1u6p s LEU 55 CO 0.23 -0.83 0.73 -0.11 -1.32 0.00 0.00 176.35 175.05