#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba3 s ASP 2 N 0.00 4.44 0.30 6.43 1.11 -1.26 -5.14 116.67 122.56 2ba3 s ASP 2 Ca 0.00 0.26 -0.18 0.00 0.18 0.00 0.00 52.55 52.80 2ba3 s ASP 2 Cb 0.00 -0.76 0.06 0.00 1.07 0.00 0.00 42.92 43.30 2ba3 s ASP 2 CO 0.00 -1.84 0.89 -0.44 1.18 0.00 0.00 175.17 174.96 2ba3 s SER 3 N -4.62 -0.00 -0.23 0.27 0.01 -1.26 -5.11 113.70 102.76 2ba3 s SER 3 Ca 0.64 -0.95 -0.28 0.00 1.31 0.00 0.00 55.95 56.67 2ba3 s SER 3 Cb -0.08 0.71 -0.05 0.00 0.21 0.00 0.00 66.02 66.81 2ba3 s SER 3 CO 0.46 -1.41 2.17 0.00 0.41 0.00 0.00 173.24 174.87 2ba3 s ALA 4 N -2.30 2.75 0.46 1.44 0.00 -1.26 -4.84 121.76 118.00 2ba3 s ALA 4 Ca 0.18 0.72 0.39 0.00 0.00 0.00 0.00 51.96 53.25 2ba3 s ALA 4 Cb -0.04 -4.07 2.14 0.00 0.00 0.00 0.00 23.12 21.15 2ba3 s ALA 4 CO 0.09 -2.77 2.20 -0.24 0.00 0.00 0.00 175.76 175.04 2ba3 h VAL 5 N 7.10 0.00 -6.92 0.00 3.04 -2.06 -3.46 116.25 113.95 2ba3 h VAL 5 Ca -0.40 -0.00 -0.58 0.00 -1.01 0.00 0.00 66.70 64.71 2ba3 h VAL 5 Cb 1.23 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 2ba3 h VAL 5 CO 0.97 0.00 -1.05 -2.11 -1.01 0.00 0.00 177.57 174.37 2ba3 n ARG 6 N -2.88 -0.55 0.07 4.17 1.85 -1.26 -4.91 116.66 113.14 2ba3 n ARG 6 Ca -0.03 0.24 0.05 0.00 -1.00 0.00 0.00 57.85 57.11 2ba3 n ARG 6 Cb 0.06 -2.38 -0.04 0.00 -1.05 0.00 0.00 32.46 29.05 2ba3 n ARG 6 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2ba3 h LYS 7 N -2.05 0.00 0.00 2.89 3.11 -2.02 -3.47 116.57 115.03 2ba3 h LYS 7 Ca -0.70 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.14 2ba3 h LYS 7 Cb 1.41 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.64 2ba3 h LYS 7 CO 0.48 0.16 0.00 1.63 -2.81 0.00 0.00 179.45 178.91 2ba3 n LYS 8 N -2.80 0.00 0.00 1.90 5.02 -1.26 -5.04 118.16 115.98 2ba3 n LYS 8 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2ba3 n LYS 8 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.72 2ba3 n LYS 8 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ba3 n SER 9 N -2.59 0.00 0.00 4.39 3.41 -1.26 -4.80 113.62 112.76 2ba3 n SER 9 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 2ba3 n SER 9 Cb 0.00 -0.89 0.18 0.00 -0.26 0.00 0.00 64.21 63.24 2ba3 n SER 9 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2ba3 n GLU 10 N -1.92 0.13 -0.85 4.33 0.28 -1.26 -1.90 120.64 119.45 2ba3 n GLU 10 Ca 0.00 0.16 0.07 0.00 -0.16 0.00 0.00 57.16 57.23 2ba3 n GLU 10 Cb 0.00 -1.50 0.39 0.00 1.43 0.00 0.00 31.44 31.76 2ba3 n GLU 10 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2ba3 n VAL 11 N -1.20 2.60 -3.32 3.84 0.24 -1.26 -4.71 118.33 114.52 2ba3 n VAL 11 Ca 0.04 -1.34 -0.11 0.00 -2.04 0.00 0.00 64.34 60.89 2ba3 n VAL 11 Cb 0.04 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.11 2ba3 n VAL 11 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2ba3 s ARG 12 N -2.63 0.63 -0.81 7.34 6.06 -0.80 -5.09 118.95 123.65 2ba3 s ARG 12 Ca 0.53 -0.52 -0.25 0.00 -2.50 0.00 0.00 55.73 52.98 2ba3 s ARG 12 Cb 0.40 -0.46 -0.02 0.00 0.06 0.00 0.00 34.95 34.93 2ba3 s ARG 12 CO 0.16 -1.16 1.77 1.14 -2.50 0.00 0.00 175.30 174.71 2ba3 s GLN 13 N 1.76 2.81 0.46 5.12 -2.07 -1.26 -4.80 119.66 121.67 2ba3 s GLN 13 Ca 0.15 -0.14 0.24 0.00 -1.82 0.00 0.00 55.36 53.79 2ba3 s GLN 13 Cb -0.12 -4.81 1.04 0.00 -1.09 0.00 0.00 33.01 28.03 2ba3 s GLN 13 CO -0.10 -2.86 1.88 1.57 -1.32 0.00 0.00 175.29 174.46 2ba3 h LYS 14 N 12.03 0.00 0.00 9.60 2.10 -1.98 -3.44 116.57 134.88 2ba3 h LYS 14 Ca -0.04 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 2ba3 h LYS 14 Cb 1.06 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2ba3 h LYS 14 CO 1.26 0.21 0.02 -2.37 -2.00 0.00 0.00 179.45 176.57 2ba3 n THR 15 N -3.46 0.00 -3.87 0.07 5.66 -1.26 -5.12 114.28 106.29 2ba3 n THR 15 Ca -0.00 -0.05 -0.11 0.00 -3.05 0.00 0.00 64.05 60.83 2ba3 n THR 15 Cb 0.39 -1.97 -0.12 0.00 -1.55 0.00 0.00 70.33 67.07 2ba3 n THR 15 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2ba3 s VAL 16 N -1.16 0.03 -0.05 1.08 1.01 -1.26 -5.15 120.40 114.91 2ba3 s VAL 16 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2ba3 s VAL 16 Cb -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.22 2ba3 s VAL 16 CO 0.03 -0.15 0.05 0.54 0.00 0.00 0.00 175.10 175.57 2ba3 s VAL 17 N -0.46 -0.01 0.05 2.92 0.11 -1.26 -5.14 120.40 116.63 2ba3 s VAL 17 Ca -0.05 0.35 -0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2ba3 s VAL 17 Cb -0.03 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2ba3 s VAL 17 CO 0.00 0.18 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.32 2ba3 s ARG 18 N 2.13 0.61 -0.56 1.54 3.52 -1.26 -5.09 118.95 119.83 2ba3 s ARG 18 Ca 0.05 -1.14 -0.11 0.00 -0.13 0.00 0.00 55.73 54.40 2ba3 s ARG 18 Cb -0.12 0.10 0.14 0.00 -1.56 0.00 0.00 34.95 33.51 2ba3 s ARG 18 CO -0.04 -0.08 0.46 0.99 -0.81 0.00 0.00 175.30 175.82 2ba3 s THR 19 N -3.45 4.61 -0.62 4.11 2.01 -1.26 -5.01 115.64 116.04 2ba3 s THR 19 Ca 0.04 -1.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.04 2ba3 s THR 19 Cb 0.04 -3.98 0.16 0.00 0.01 0.00 0.00 72.50 68.74 2ba3 s THR 19 CO -0.07 -0.85 0.46 -0.22 -0.69 0.00 0.00 174.62 173.25 2ba3 s LEU 20 N 1.08 5.54 0.72 4.42 2.96 -1.26 -5.09 118.68 127.05 2ba3 s LEU 20 Ca 0.08 -2.66 -0.14 0.00 -0.22 0.00 0.00 54.13 51.20 2ba3 s LEU 20 Cb -0.24 -1.93 0.03 0.00 0.50 0.00 0.00 46.19 44.56 2ba3 s LEU 20 CO -0.01 -0.45 1.14 -0.13 -1.32 0.00 0.00 176.35 175.57 2ba3 s ARG 21 N 0.23 2.35 0.05 1.98 3.00 -1.26 -5.07 118.95 120.22 2ba3 s ARG 21 Ca 0.15 1.47 0.04 0.00 0.00 0.00 0.00 55.73 57.40 2ba3 s ARG 21 Cb -0.19 -1.89 -0.02 0.00 0.00 0.00 0.00 34.95 32.85 2ba3 s ARG 21 CO -0.04 -1.62 -0.13 -0.06 0.00 0.00 0.00 175.30 173.45 2ba3 s PHE 22 N -2.36 1.10 0.86 -0.53 0.40 -1.26 -5.15 117.98 111.04 2ba3 s PHE 22 Ca 0.68 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 56.49 2ba3 s PHE 22 Cb -0.23 -0.64 0.11 0.00 0.51 0.00 0.00 43.02 42.77 2ba3 s PHE 22 CO 0.47 0.02 1.15 -1.12 0.70 0.00 0.00 175.22 176.44 2ba3 s SER 23 N -1.36 3.96 0.33 1.36 0.01 -1.26 -4.80 113.70 111.94 2ba3 s SER 23 Ca -0.01 0.93 0.08 0.00 1.31 0.00 0.00 55.95 58.25 2ba3 s SER 23 Cb -0.09 -1.49 0.58 0.00 0.21 0.00 0.00 66.02 65.24 2ba3 s SER 23 CO 0.01 -2.26 1.78 1.55 0.41 0.00 0.00 173.24 174.74 2ba3 h PRO 24 N -1.30 0.24 -0.01 12.44 0.13 -2.01 0.47 132.00 141.95 2ba3 h PRO 24 Ca -0.49 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.54 2ba3 h PRO 24 Cb 1.33 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ba3 h PRO 24 CO 0.63 0.52 -0.06 0.28 -0.23 0.00 0.00 178.00 179.14 2ba3 h VAL 25 N 0.21 1.55 -0.51 1.56 2.07 -1.99 -2.34 116.25 116.80 2ba3 h VAL 25 Ca 0.03 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 65.90 2ba3 h VAL 25 Cb 0.64 2.67 -0.05 0.00 -1.52 0.00 0.00 31.29 33.04 2ba3 h VAL 25 CO 0.05 0.45 0.23 -0.33 0.02 0.00 0.00 177.57 177.98 2ba3 h GLU 26 N -0.63 0.42 -0.17 1.57 3.07 -1.91 -0.42 114.58 116.51 2ba3 h GLU 26 Ca -0.01 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2ba3 h GLU 26 Cb 0.77 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2ba3 h GLU 26 CO 0.01 0.28 0.08 0.22 -1.40 0.00 0.00 179.01 178.21 2ba3 h ASP 27 N 0.44 0.22 -0.19 1.42 3.58 -0.97 -0.25 116.42 120.65 2ba3 h ASP 27 Ca 0.24 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.58 2ba3 h ASP 27 Cb 0.20 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2ba3 h ASP 27 CO -0.20 0.27 0.10 -0.08 -2.88 0.00 0.00 179.24 176.45 2ba3 h GLU 28 N 0.15 0.20 0.45 0.28 4.81 -0.99 0.23 114.58 119.72 2ba3 h GLU 28 Ca 0.06 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2ba3 h GLU 28 Cb 0.11 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2ba3 h GLU 28 CO -0.01 0.14 -0.26 1.15 -0.73 0.00 0.00 179.01 179.30 2ba3 h THR 29 N 0.21 0.46 -0.87 0.32 2.02 -0.95 -0.47 112.91 113.63 2ba3 h THR 29 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 2ba3 h THR 29 Cb 0.01 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 2ba3 h THR 29 CO -0.05 0.00 0.56 0.40 0.37 0.00 0.00 175.52 176.79 2ba3 h ILE 30 N -0.68 1.13 -0.01 3.11 2.04 -0.88 -0.16 117.51 122.06 2ba3 h ILE 30 Ca -0.05 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2ba3 h ILE 30 Cb 0.54 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2ba3 h ILE 30 CO 0.07 0.20 0.01 -0.09 0.00 0.00 0.00 178.15 178.33 2ba3 h ARG 31 N 1.07 0.01 0.19 2.37 2.43 -0.28 0.12 114.38 120.30 2ba3 h ARG 31 Ca 0.35 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2ba3 h ARG 31 Cb 0.03 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2ba3 h ARG 31 CO -0.12 0.04 -0.17 0.87 -1.51 0.00 0.00 179.97 179.08 2ba3 h LYS 32 N -0.02 -0.36 -0.69 0.20 6.56 -0.53 -0.20 116.57 121.54 2ba3 h LYS 32 Ca 0.00 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.63 2ba3 h LYS 32 Cb 0.03 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.74 2ba3 h LYS 32 CO -0.00 -0.24 0.46 0.87 -2.06 0.00 0.00 179.45 178.47 2ba3 h LYS 33 N -0.38 0.91 -0.11 3.15 6.56 -0.90 0.08 116.57 125.88 2ba3 h LYS 33 Ca -0.00 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2ba3 h LYS 33 Cb 0.35 -0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2ba3 h LYS 33 CO -0.03 0.60 0.04 0.00 -2.06 0.00 0.00 179.45 178.00 2ba3 h ALA 34 N 1.25 0.14 -0.16 3.86 0.00 -0.60 0.33 119.26 124.07 2ba3 h ALA 34 Ca 0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2ba3 h ALA 34 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ba3 h ALA 34 CO -0.05 -0.26 -0.28 1.49 0.00 0.00 0.00 179.25 180.15 2ba3 h GLU 35 N -0.01 0.31 -0.19 0.00 4.81 -0.81 -0.20 114.58 118.49 2ba3 h GLU 35 Ca 0.03 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 2ba3 h GLU 35 Cb 0.20 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2ba3 h GLU 35 CO -0.00 0.57 -0.22 0.22 -0.73 0.00 0.00 179.01 178.84 2ba3 h ASP 36 N 0.27 0.52 0.77 1.04 3.58 -0.79 -2.65 116.42 119.16 2ba3 h ASP 36 Ca 0.04 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2ba3 h ASP 36 Cb 0.64 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2ba3 h ASP 36 CO 0.05 0.91 0.00 -0.24 -2.88 0.00 0.00 179.24 177.08 2ba3 n SER 37 N -4.43 0.00 0.00 2.28 2.88 0.09 -4.89 113.62 109.55 2ba3 n SER 37 Ca -0.06 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2ba3 n SER 37 Cb 0.42 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 2ba3 n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ba3 n GLY 38 N 0.84 1.68 3.62 0.46 0.00 -0.17 -4.97 105.19 106.66 2ba3 n GLY 38 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2ba3 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ba3 s LEU 39 N 0.00 4.08 0.62 0.99 1.43 -0.70 -4.92 118.68 120.18 2ba3 s LEU 39 Ca 0.00 0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 53.65 2ba3 s LEU 39 Cb 0.00 -2.94 -0.08 0.00 0.03 0.00 0.00 46.19 43.19 2ba3 s LEU 39 CO 0.00 -0.45 0.41 1.07 0.23 0.00 0.00 176.35 177.61 2ba3 n THR 40 N 5.29 1.81 -0.28 5.49 5.66 -1.26 -4.25 114.28 126.74 2ba3 n THR 40 Ca 0.01 -0.47 0.10 0.00 -3.05 0.00 0.00 64.05 60.64 2ba3 n THR 40 Cb 0.48 -0.60 0.24 0.00 -1.55 0.00 0.00 70.33 68.91 2ba3 n THR 40 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2ba3 h VAL 41 N 0.00 0.38 -0.24 1.08 2.07 -1.90 0.22 116.25 117.86 2ba3 h VAL 41 Ca -0.45 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2ba3 h VAL 41 Cb 1.39 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2ba3 h VAL 41 CO 0.44 0.04 0.14 0.28 0.02 0.00 0.00 177.57 178.49 2ba3 h SER 42 N 0.22 0.29 -0.41 0.57 0.02 -2.00 -0.49 113.55 111.75 2ba3 h SER 42 Ca 0.49 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.33 2ba3 h SER 42 Cb 0.94 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 2ba3 h SER 42 CO -0.61 0.27 0.08 0.00 -1.14 0.00 0.00 176.83 175.43 2ba3 h ALA 43 N 1.03 0.54 -0.15 3.77 0.00 -1.42 -2.58 119.26 120.45 2ba3 h ALA 43 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2ba3 h ALA 43 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2ba3 h ALA 43 CO -0.01 0.24 -0.12 -0.92 0.00 0.00 0.00 179.25 178.43 2ba3 h TYR 44 N 0.52 -0.29 0.24 0.00 3.20 -0.42 0.47 116.97 120.68 2ba3 h TYR 44 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2ba3 h TYR 44 Cb 0.35 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2ba3 h TYR 44 CO 0.02 -0.18 -0.21 0.82 -1.64 0.00 0.00 178.16 176.97 2ba3 h ILE 45 N -0.13 0.00 -0.62 1.81 1.08 -1.02 -0.09 117.51 118.54 2ba3 h ILE 45 Ca 0.09 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.64 2ba3 h ILE 45 Cb 0.27 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.96 2ba3 h ILE 45 CO -0.23 0.00 0.30 0.08 -0.69 0.00 0.00 178.15 177.61 2ba3 h ARG 46 N -0.44 0.52 0.11 2.37 0.11 -1.42 -0.57 114.38 115.07 2ba3 h ARG 46 Ca -0.03 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2ba3 h ARG 46 Cb 0.38 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2ba3 h ARG 46 CO -0.01 0.35 -0.12 -0.97 0.10 0.00 0.00 179.97 179.31 2ba3 h ASN 47 N 0.54 -0.32 -0.02 0.08 -1.24 -0.82 0.21 115.58 114.02 2ba3 h ASN 47 Ca 0.29 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 2ba3 h ASN 47 Cb 0.27 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2ba3 h ASN 47 CO -0.23 -0.19 -0.01 0.00 -1.29 0.00 0.00 177.43 175.71 2ba3 h ALA 48 N 0.60 1.83 0.05 1.57 0.00 -0.61 -2.68 119.26 120.03 2ba3 h ALA 48 Ca 0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 2ba3 h ALA 48 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ba3 h ALA 48 CO -0.04 0.13 -1.26 0.00 0.00 0.00 0.00 179.25 178.08 2ba3 h ALA 49 N 1.88 0.34 0.20 0.00 0.00 -0.52 -3.38 119.26 117.78 2ba3 h ALA 49 Ca 0.03 -1.03 -0.30 0.00 0.00 0.00 0.00 54.91 53.61 2ba3 h ALA 49 Cb 0.10 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ba3 h ALA 49 CO 0.00 1.22 -1.37 -0.07 0.00 0.00 0.00 179.25 179.04 2ba3 h LEU 50 N 0.03 0.66 0.00 0.00 3.38 -0.79 -3.51 115.31 115.08 2ba3 h LEU 50 Ca -0.12 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.92 2ba3 h LEU 50 Cb 1.90 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2ba3 h LEU 50 CO 0.14 1.64 0.00 0.59 0.09 0.00 0.00 178.44 180.91