#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 -5.05 -4.18 0.00 -1.04 -1.26 -4.99 114.28 97.76 1u6p n THR 2 Ca 0.00 2.25 -0.29 0.00 -2.04 0.00 0.00 64.05 63.97 1u6p n THR 2 Cb 0.00 -3.09 -0.09 0.00 -1.82 0.00 0.00 70.33 65.34 1u6p n THR 2 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1u6p s VAL 3 N -2.99 3.71 0.00 12.58 -7.23 -1.26 -5.07 120.40 120.15 1u6p s VAL 3 Ca 0.00 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1u6p s VAL 3 Cb 0.00 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1u6p s VAL 3 CO 0.00 0.06 0.00 0.52 -0.31 0.00 0.00 175.10 175.37 1u6p n VAL 4 N 0.43 0.00 -1.83 1.32 0.31 -1.26 -5.01 118.33 112.29 1u6p n VAL 4 Ca -0.11 0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 1u6p n VAL 4 Cb 0.53 -0.87 -0.01 0.00 -0.91 0.00 0.00 33.84 32.58 1u6p n VAL 4 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u6p s SER 5 N -1.08 6.42 0.00 4.52 1.04 -1.26 -4.93 113.70 118.41 1u6p s SER 5 Ca 0.00 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.37 1u6p s SER 5 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1u6p s SER 5 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1u6p n GLY 6 N 1.56 3.76 1.02 7.32 0.00 -1.26 -5.13 105.19 112.46 1u6p n GLY 6 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.25 0.00 -2.80 1.61 6.02 -1.26 -5.12 117.38 115.58 1u6p n GLN 7 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1u6p n GLN 7 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 -2.18 -3.27 -3.11 -1.09 5.02 -1.26 -4.95 118.16 107.32 1u6p n LYS 8 Ca 0.00 2.57 -0.31 0.00 -2.02 0.00 0.00 58.31 58.55 1u6p n LYS 8 Cb 0.00 -3.43 -0.04 0.00 -0.02 0.00 0.00 35.03 31.54 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 -0.46 3.83 0.15 1.97 0.74 -1.26 -5.08 119.66 119.55 1u6p s GLN 9 Ca -0.17 0.43 -0.24 0.00 0.05 0.00 0.00 55.36 55.43 1u6p s GLN 9 Cb 0.01 -2.48 0.07 0.00 1.10 0.00 0.00 33.01 31.70 1u6p s GLN 9 CO 0.49 0.12 0.68 0.34 -0.55 0.00 0.00 175.29 176.36 1u6p s ASP 10 N -2.75 -0.47 -0.26 6.67 2.15 -1.26 -5.15 116.67 115.60 1u6p s ASP 10 Ca 0.50 -0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.36 1u6p s ASP 10 Cb -0.10 0.58 0.14 0.00 -0.30 0.00 0.00 42.92 43.24 1u6p s ASP 10 CO 0.25 -0.97 0.39 -0.60 -0.17 0.00 0.00 175.17 174.06 1u6p s ARG 11 N -3.66 0.37 0.00 4.34 3.52 -1.26 -5.12 118.95 117.14 1u6p s ARG 11 Ca 0.04 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 1u6p s ARG 11 Cb -0.02 -0.41 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 1u6p s ARG 11 CO -0.09 -0.78 0.00 0.94 -0.81 0.00 0.00 175.30 174.56 1u6p n GLN 12 N 5.36 0.00 -2.66 5.12 7.27 -1.26 -5.18 117.38 126.03 1u6p n GLN 12 Ca -0.02 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.84 1u6p n GLN 12 Cb 0.50 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.19 1u6p n GLN 12 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1u6p s GLY 13 N 0.00 1.82 0.04 1.69 0.00 -1.26 -5.13 107.32 104.48 1u6p s GLY 13 Ca 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 44.72 43.23 1u6p s GLY 13 CO 0.00 -1.10 0.13 -0.32 0.00 0.00 0.00 173.10 171.81 1u6p s GLY 14 N -4.48 0.13 -0.10 0.20 0.00 -1.26 -5.15 107.32 96.66 1u6p s GLY 14 Ca 0.59 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 1u6p s GLY 14 CO 0.39 -0.63 0.07 1.85 0.00 0.00 0.00 173.10 174.79 1u6p s GLU 15 N -2.63 0.02 0.00 2.90 2.56 -1.26 -5.12 118.70 115.17 1u6p s GLU 15 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 54.97 55.07 1u6p s GLU 15 Cb -0.01 -1.16 0.00 0.00 2.00 0.00 0.00 34.13 34.96 1u6p s GLU 15 CO -0.05 -0.49 0.00 -2.13 -0.56 0.00 0.00 175.26 172.03 1u6p n ARG 16 N 5.28 0.00 0.00 4.30 0.00 -1.26 -5.12 116.66 119.86 1u6p n ARG 16 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1u6p n ARG 16 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 1u6p n ARG 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1u6p n ARG 17 N -0.04 0.00 -3.97 -0.14 1.74 -1.26 -5.05 116.66 107.94 1u6p n ARG 17 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1u6p n ARG 17 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 1u6p n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1u6p n ARG 18 N -1.19 -0.47 -0.38 5.56 1.74 -1.26 -4.03 116.66 116.63 1u6p n ARG 18 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1u6p n ARG 18 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 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 -1.64 -0.11 -2.55 0.55 2.88 -1.26 0.11 113.62 111.60 1u6p n SER 19 Ca -0.11 -0.33 -0.10 0.00 -1.33 0.00 0.00 58.87 57.00 1u6p n SER 19 Cb 0.47 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.98 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 1.74 -2.33 -2.24 -1.46 6.02 -1.26 -4.91 117.38 112.95 1u6p n GLN 20 Ca 0.00 0.53 -0.40 0.00 -0.01 0.00 0.00 57.00 57.12 1u6p n GLN 20 Cb 0.03 -4.31 -0.03 0.00 1.02 0.00 0.00 30.24 26.95 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 -4.54 3.28 0.47 1.08 0.20 0.12 -4.97 118.68 114.31 1u6p s LEU 21 Ca 0.18 0.15 -0.20 0.00 0.69 0.00 0.00 54.13 54.95 1u6p s LEU 21 Cb -0.02 -2.66 -0.09 0.00 -0.43 0.00 0.00 46.19 42.98 1u6p s LEU 21 CO 0.45 -2.10 1.01 -1.81 -0.29 0.00 0.00 176.35 173.62 1u6p s ASP 22 N 6.22 6.51 0.00 3.68 1.11 -1.26 -4.90 116.67 128.03 1u6p s ASP 22 Ca 0.56 1.86 0.09 0.00 0.18 0.00 0.00 52.55 55.24 1u6p s ASP 22 Cb -0.11 -2.55 0.37 0.00 1.07 0.00 0.00 42.92 41.70 1u6p s ASP 22 CO 0.20 -0.66 1.26 0.54 1.18 0.00 0.00 175.17 177.69 1u6p n ARG 23 N -0.87 0.02 -0.58 8.23 5.12 -1.26 -1.03 116.66 126.28 1u6p n ARG 23 Ca 0.09 0.33 0.06 0.00 -1.93 0.00 0.00 57.85 56.40 1u6p n ARG 23 Cb 0.53 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.49 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 -1.47 1.70 -4.65 0.55 2.03 -1.26 -5.04 116.55 108.40 1u6p n ASP 24 Ca 0.02 -3.43 -0.28 0.00 0.52 0.00 0.00 54.79 51.63 1u6p n ASP 24 Cb 0.10 -0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.93 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1u6p s GLN 25 N -2.65 2.02 -0.14 -0.67 -0.21 -0.20 -1.68 119.66 116.13 1u6p s GLN 25 Ca 0.35 -2.10 -0.11 0.00 0.02 0.00 0.00 55.36 53.52 1u6p s GLN 25 Cb 0.34 -1.69 -0.05 0.00 1.00 0.00 0.00 33.01 32.62 1u6p s GLN 25 CO -0.06 -0.09 0.20 0.00 -2.12 0.00 0.00 175.29 173.22 1u6p n ALA 27 N 2.89 3.61 0.05 0.00 0.00 -1.26 -2.11 120.51 123.68 1u6p n ALA 27 Ca -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1u6p n ALA 27 Cb 0.53 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.27 -0.44 0.02 0.00 4.19 -1.26 -4.86 117.16 115.08 1u6p n TYR 28 Ca 0.22 0.08 0.10 0.00 3.31 0.00 0.00 57.90 61.60 1u6p n TYR 28 Cb 0.95 0.15 -0.11 0.00 0.49 0.00 0.00 39.34 40.81 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 -2.44 0.00 -1.38 0.00 4.76 -0.90 -5.01 118.16 113.20 1u6p n LYS 30 Ca -0.04 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.95 1u6p n LYS 30 Cb 0.60 -0.08 -0.01 0.00 -1.84 0.00 0.00 35.03 33.69 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 -0.77 0.15 -3.96 1.97 4.71 -1.26 -3.20 120.64 118.28 1u6p n GLU 31 Ca 0.00 0.05 -0.35 0.00 -0.01 0.00 0.00 57.16 56.85 1u6p n GLU 31 Cb 0.00 -1.11 -0.06 0.00 -1.01 0.00 0.00 31.44 29.26 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 -1.10 3.35 0.00 3.49 0.00 -1.26 0.40 119.74 124.62 1u6p s LYS 32 Ca 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 55.97 56.34 1u6p s LYS 32 Cb -0.77 -3.09 0.00 0.00 0.00 0.00 0.00 37.83 33.97 1u6p s LYS 32 CO 0.59 0.73 0.00 0.41 0.00 0.00 0.00 175.35 177.08 1u6p n GLY 33 N 1.61 3.58 3.59 0.59 0.00 -0.68 -4.97 105.19 108.91 1u6p n GLY 33 Ca -0.16 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 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 2.65 0.53 1.61 -3.43 -1.26 -4.98 115.29 110.42 1u6p s HIS 34 Ca 0.00 -0.22 -0.02 0.00 -0.80 0.00 0.00 55.06 54.02 1u6p s HIS 34 Cb 0.00 -1.26 0.01 0.00 -1.43 0.00 0.00 32.58 29.90 1u6p s HIS 34 CO 0.00 0.54 0.79 -1.58 -2.00 0.00 0.00 174.74 172.49 1u6p s TRP 35 N -1.87 3.14 0.26 0.38 0.52 -1.26 -3.38 118.94 116.73 1u6p s TRP 35 Ca 0.27 0.33 -0.04 0.00 0.02 0.00 0.00 56.10 56.68 1u6p s TRP 35 Cb -0.08 -2.59 0.34 0.00 -1.15 0.00 0.00 33.47 29.99 1u6p s TRP 35 CO 0.16 -0.67 1.91 0.00 0.02 0.00 0.00 176.95 178.37 1u6p h ALA 36 N 0.09 1.35 0.00 0.98 0.00 -1.91 0.58 119.26 120.34 1u6p h ALA 36 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1u6p h ALA 36 Cb 1.27 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1u6p h ALA 36 CO 0.58 0.55 0.00 1.63 0.00 0.00 0.00 179.25 182.01 1u6p n LYS 37 N -4.44 0.18 -0.17 0.00 4.01 -1.26 -1.34 118.16 115.15 1u6p n LYS 37 Ca 0.14 0.16 0.07 0.00 -0.51 0.00 0.00 58.31 58.16 1u6p n LYS 37 Cb 0.10 -1.50 0.10 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 -1.31 1.73 -4.72 4.39 8.00 0.17 -5.04 116.55 119.77 1u6p n ASP 38 Ca 0.07 -2.73 -0.42 0.00 0.71 0.00 0.00 54.79 52.42 1u6p n ASP 38 Cb 0.13 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u6p n PRO 40 N 3.76 0.74 0.13 0.00 -0.04 -1.26 -2.30 135.00 136.04 1u6p n PRO 40 Ca 0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1u6p n PRO 40 Cb 0.45 -1.47 0.25 0.00 -0.04 0.00 0.00 33.50 32.69 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 -5.59 0.54 3.64 -1.95 -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 0.00 1.56 1.63 -2.27 0.00 0.00 179.45 180.37 1u6p n LYS 42 N -2.52 0.53 -1.53 1.90 5.02 -0.97 -4.88 118.16 115.70 1u6p n LYS 42 Ca 0.04 0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 1u6p n LYS 42 Cb 0.47 -2.16 0.16 0.00 -0.02 0.00 0.00 35.03 33.49 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 7.48 0.70 -0.02 1.97 0.04 -1.26 -5.09 135.00 138.83 1u6p s PRO 43 Ca 1.18 0.12 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1u6p s PRO 43 Cb -0.98 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1u6p s PRO 43 CO 0.48 -2.46 -0.02 1.03 0.04 0.00 0.00 177.00 176.06 1u6p s ARG 44 N -5.40 0.33 0.72 4.56 0.52 -1.26 -5.14 118.95 113.28 1u6p s ARG 44 Ca 0.66 -0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.70 1u6p s ARG 44 Cb -0.12 -0.39 0.18 0.00 0.52 0.00 0.00 34.95 35.14 1u6p s ARG 44 CO 0.54 -0.01 0.66 0.41 0.02 0.00 0.00 175.30 176.92 1u6p n GLY 45 N 3.49 -2.54 3.66 -3.53 0.00 -1.26 -4.51 105.19 100.50 1u6p n GLY 45 Ca -0.19 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -4.50 4.18 -0.39 1.61 0.04 -1.26 -5.14 135.00 129.54 1u6p s PRO 46 Ca 0.43 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1u6p s PRO 46 Cb -0.04 -3.79 0.16 0.00 0.04 0.00 0.00 34.50 30.87 1u6p s PRO 46 CO 0.32 -0.78 0.44 0.50 0.04 0.00 0.00 177.00 177.52 1u6p s ARG 47 N 3.63 0.72 -0.36 4.56 6.06 -1.26 -5.11 118.95 127.18 1u6p s ARG 47 Ca 0.56 -0.87 -0.29 0.00 -2.50 0.00 0.00 55.73 52.63 1u6p s ARG 47 Cb -0.21 -0.59 0.01 0.00 0.06 0.00 0.00 34.95 34.22 1u6p s ARG 47 CO 0.16 -1.22 1.20 0.20 -2.50 0.00 0.00 175.30 173.15 1u6p s GLY 48 N 1.36 1.40 0.44 8.12 0.00 -1.26 -5.01 107.32 112.37 1u6p s GLY 48 Ca 0.19 -0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 1u6p s GLY 48 CO -0.04 2.46 1.05 2.56 0.00 0.00 0.00 173.10 179.13 1u6p s PRO 49 N 4.13 4.01 -0.25 2.90 0.04 -1.26 -4.42 135.00 140.14 1u6p s PRO 49 Ca 0.51 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 1u6p s PRO 49 Cb -0.13 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.06 1u6p s PRO 49 CO 0.23 -0.27 0.11 0.54 0.04 0.00 0.00 177.00 177.66 1u6p n ARG 50 N -0.44 -2.44 -0.02 4.56 1.74 -1.26 -4.94 116.66 113.86 1u6p n ARG 50 Ca 0.07 2.11 -0.16 0.00 -0.77 0.00 0.00 57.85 59.10 1u6p n ARG 50 Cb 0.51 -4.08 -0.11 0.00 -1.02 0.00 0.00 32.46 27.76 1u6p n ARG 50 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1u6p h PRO 51 N 3.02 0.33 0.00 5.56 0.13 -2.03 -3.48 132.00 135.52 1u6p h PRO 51 Ca -0.03 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1u6p h PRO 51 Cb 0.47 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1u6p h PRO 51 CO 0.09 0.99 0.00 1.04 -0.23 0.00 0.00 178.00 179.90 1u6p n GLN 52 N -4.36 0.00 0.00 0.86 1.13 -1.26 -5.11 117.38 108.64 1u6p n GLN 52 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1u6p n GLN 52 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 1u6p n GLN 52 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1u6p n THR 53 N -0.11 0.00 -3.98 5.09 -1.04 -1.26 -5.09 114.28 107.89 1u6p n THR 53 Ca 0.00 0.21 -0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1u6p n THR 53 Cb 0.00 -1.15 -0.12 0.00 -1.82 0.00 0.00 70.33 67.24 1u6p n THR 53 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1u6p s SER 54 N -3.24 0.29 -1.42 8.00 1.04 -1.26 -5.06 113.70 112.06 1u6p s SER 54 Ca 0.00 -0.38 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 1u6p s SER 54 Cb 0.00 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.25 1u6p s SER 54 CO 0.00 -0.21 2.23 0.18 0.98 0.00 0.00 173.24 176.43 1u6p n LEU 55 N 1.96 7.16 0.00 2.42 4.32 -1.26 -5.27 117.00 126.33 1u6p n LEU 55 Ca -0.21 -4.39 0.00 0.00 -0.02 0.00 0.00 56.01 51.39 1u6p n LEU 55 Cb 0.56 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.80 1u6p n LEU 55 CO 0.22 1.41 0.00 -0.11 -1.22 0.00 0.00 177.39 177.68