#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 2.00 0.26 6.43 1.01 -1.26 -5.10 116.67 120.01 2ba3 s ASP 2 Ca 0.00 0.78 0.01 0.00 0.71 0.00 0.00 52.55 54.06 2ba3 s ASP 2 Cb 0.00 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.72 2ba3 s ASP 2 CO 0.00 -3.47 0.12 -0.94 0.21 0.00 0.00 175.17 171.09 2ba3 s SER 3 N -3.91 1.10 -0.57 0.27 1.04 -1.26 -5.09 113.70 105.28 2ba3 s SER 3 Ca 0.69 -1.44 -0.27 0.00 0.48 0.00 0.00 55.95 55.40 2ba3 s SER 3 Cb -0.12 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 2ba3 s SER 3 CO 0.56 -0.81 1.72 0.00 0.98 0.00 0.00 173.24 175.69 2ba3 s ALA 4 N -3.79 2.44 0.00 5.32 0.00 -1.26 -4.66 121.76 119.81 2ba3 s ALA 4 Ca 0.37 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2ba3 s ALA 4 Cb 0.07 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2ba3 s ALA 4 CO 0.15 -3.48 0.00 1.55 0.00 0.00 0.00 175.76 173.98 2ba3 n VAL 5 N 7.11 0.00 -2.52 0.00 3.14 -1.26 -5.06 118.33 119.75 2ba3 n VAL 5 Ca 0.18 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.28 2ba3 n VAL 5 Cb 0.51 -0.56 0.01 0.00 -1.06 0.00 0.00 33.84 32.73 2ba3 n VAL 5 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2ba3 s ARG 6 N -1.84 3.44 0.00 1.45 0.52 -1.26 -5.07 118.95 116.18 2ba3 s ARG 6 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2ba3 s ARG 6 Cb 0.00 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.14 2ba3 s ARG 6 CO 0.00 -0.33 0.00 1.63 0.02 0.00 0.00 175.30 176.62 2ba3 n LYS 7 N -2.37 0.00 -3.68 3.54 5.02 -1.26 -5.10 118.16 114.31 2ba3 n LYS 7 Ca 0.02 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 2ba3 n LYS 7 Cb 0.55 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.40 2ba3 n LYS 7 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2ba3 s LYS 8 N 0.28 0.50 -0.08 1.97 -2.85 -1.26 -5.12 119.74 113.19 2ba3 s LYS 8 Ca 0.00 -0.54 -0.04 0.00 -1.00 0.00 0.00 55.97 54.39 2ba3 s LYS 8 Cb 0.00 -1.87 0.04 0.00 -2.06 0.00 0.00 37.83 33.94 2ba3 s LYS 8 CO 0.00 -0.79 0.18 -1.12 0.10 0.00 0.00 175.35 173.72 2ba3 s SER 9 N 1.89 -0.17 -1.13 0.03 0.01 -1.26 -5.09 113.70 107.97 2ba3 s SER 9 Ca 0.04 0.39 -0.12 0.00 1.31 0.00 0.00 55.95 57.56 2ba3 s SER 9 Cb -0.17 0.29 0.21 0.00 0.21 0.00 0.00 66.02 66.56 2ba3 s SER 9 CO -0.17 -0.14 1.25 -1.61 0.41 0.00 0.00 173.24 172.97 2ba3 s GLU 10 N 1.06 4.07 -0.03 12.44 2.02 -1.26 -4.95 118.70 132.05 2ba3 s GLU 10 Ca -0.08 -2.77 0.00 0.00 0.02 0.00 0.00 54.97 52.14 2ba3 s GLU 10 Cb -0.10 -4.82 0.03 0.00 0.10 0.00 0.00 34.13 29.34 2ba3 s GLU 10 CO -0.06 -1.53 0.01 0.08 0.02 0.00 0.00 175.26 173.77 2ba3 s VAL 11 N 0.45 0.14 -0.47 2.63 1.01 -1.26 -5.11 120.40 117.79 2ba3 s VAL 11 Ca 0.36 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2ba3 s VAL 11 Cb -0.06 -0.24 0.15 0.00 0.00 0.00 0.00 36.38 36.22 2ba3 s VAL 11 CO -0.04 0.14 0.30 0.00 0.00 0.00 0.00 175.10 175.49 2ba3 s ARG 12 N 1.04 1.36 -0.28 2.72 1.70 -1.26 -5.06 118.95 119.16 2ba3 s ARG 12 Ca -0.10 -2.20 0.01 0.00 -0.47 0.00 0.00 55.73 52.97 2ba3 s ARG 12 Cb -0.13 -2.27 0.08 0.00 -0.57 0.00 0.00 34.95 32.06 2ba3 s ARG 12 CO -0.02 -1.23 0.03 1.14 -1.08 0.00 0.00 175.30 174.14 2ba3 s GLN 13 N 0.04 1.22 -0.36 3.89 -2.07 -1.26 -4.98 119.66 116.14 2ba3 s GLN 13 Ca 0.22 -1.19 0.06 0.00 -1.82 0.00 0.00 55.36 52.63 2ba3 s GLN 13 Cb -0.15 -2.50 0.65 0.00 -1.09 0.00 0.00 33.01 29.91 2ba3 s GLN 13 CO -0.06 -0.81 1.79 0.36 -1.32 0.00 0.00 175.29 175.25 2ba3 n LYS 14 N 4.66 2.78 -3.44 9.60 2.85 -1.26 -4.90 118.16 128.45 2ba3 n LYS 14 Ca -0.05 -2.79 -0.12 0.00 -1.05 0.00 0.00 58.31 54.31 2ba3 n LYS 14 Cb 0.43 -2.11 -0.02 0.00 -0.65 0.00 0.00 35.03 32.68 2ba3 n LYS 14 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2ba3 s THR 15 N -2.91 0.00 0.19 0.58 -1.32 -1.26 -5.17 115.64 105.76 2ba3 s THR 15 Ca 0.52 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2ba3 s THR 15 Cb 0.42 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.37 2ba3 s THR 15 CO 0.11 0.00 0.38 -0.69 -2.21 0.00 0.00 174.62 172.21 2ba3 s VAL 16 N -3.54 5.22 -0.27 5.08 1.01 -1.26 -5.09 120.40 121.55 2ba3 s VAL 16 Ca 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2ba3 s VAL 16 Cb -0.01 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.75 2ba3 s VAL 16 CO -0.11 -0.16 0.22 0.54 0.00 0.00 0.00 175.10 175.58 2ba3 s VAL 17 N -1.85 -0.26 0.25 2.92 0.11 -1.26 -5.14 120.40 115.17 2ba3 s VAL 17 Ca 0.38 -0.52 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2ba3 s VAL 17 Cb -0.11 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2ba3 s VAL 17 CO 0.29 -0.51 0.29 -0.60 -3.33 0.00 0.00 175.10 171.23 2ba3 s ARG 18 N 2.26 1.48 -0.04 1.54 3.52 -1.26 -5.17 118.95 121.27 2ba3 s ARG 18 Ca 0.09 -1.62 0.06 0.00 -0.13 0.00 0.00 55.73 54.13 2ba3 s ARG 18 Cb -0.15 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.58 2ba3 s ARG 18 CO -0.30 -0.55 -0.23 0.95 -0.81 0.00 0.00 175.30 174.35 2ba3 s THR 19 N -3.84 1.89 0.41 4.11 -4.23 -1.26 -5.15 115.64 107.57 2ba3 s THR 19 Ca 0.34 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.92 2ba3 s THR 19 Cb 0.03 -1.59 -0.07 0.00 1.34 0.00 0.00 72.50 72.21 2ba3 s THR 19 CO 0.15 0.53 0.01 -0.76 -0.54 0.00 0.00 174.62 174.01 2ba3 s LEU 20 N -0.26 2.76 0.09 4.79 1.43 -1.26 -5.16 118.68 121.06 2ba3 s LEU 20 Ca 0.01 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 51.77 2ba3 s LEU 20 Cb -0.12 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 2ba3 s LEU 20 CO 0.02 -0.50 -0.16 -0.13 0.23 0.00 0.00 176.35 175.80 2ba3 s ARG 21 N -3.74 0.96 -0.10 1.70 1.81 -1.26 -5.16 118.95 113.16 2ba3 s ARG 21 Ca 0.32 -1.08 -0.10 0.00 -1.72 0.00 0.00 55.73 53.15 2ba3 s ARG 21 Cb 0.09 -1.01 0.03 0.00 -0.45 0.00 0.00 34.95 33.61 2ba3 s ARG 21 CO 0.16 0.22 0.28 -0.06 -0.68 0.00 0.00 175.30 175.22 2ba3 s PHE 22 N -1.45 -0.29 1.08 -0.53 0.08 -1.26 -5.11 117.98 110.50 2ba3 s PHE 22 Ca 0.03 0.70 -0.14 0.00 0.12 0.00 0.00 56.93 57.64 2ba3 s PHE 22 Cb -0.09 0.10 0.23 0.00 -0.57 0.00 0.00 43.02 42.69 2ba3 s PHE 22 CO 0.03 -0.17 1.09 -1.12 -0.10 0.00 0.00 175.22 174.95 2ba3 s SER 23 N 0.01 1.89 0.20 1.36 0.01 -1.26 -4.73 113.70 111.18 2ba3 s SER 23 Ca -0.01 1.04 -0.06 0.00 1.31 0.00 0.00 55.95 58.23 2ba3 s SER 23 Cb -0.02 -1.60 0.14 0.00 0.21 0.00 0.00 66.02 64.74 2ba3 s SER 23 CO 0.01 -3.57 1.61 1.55 0.41 0.00 0.00 173.24 173.25 2ba3 h PRO 24 N -2.20 0.85 -0.14 12.44 0.13 -2.02 -0.58 132.00 140.49 2ba3 h PRO 24 Ca -0.53 -0.34 -0.18 0.00 -0.87 0.00 0.00 66.00 64.08 2ba3 h PRO 24 Cb 1.33 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ba3 h PRO 24 CO 0.51 0.98 -0.66 0.28 -0.23 0.00 0.00 178.00 178.88 2ba3 h VAL 25 N 0.74 1.34 -0.38 1.56 2.07 -1.98 -0.49 116.25 119.11 2ba3 h VAL 25 Ca 0.10 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.57 2ba3 h VAL 25 Cb 0.73 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2ba3 h VAL 25 CO 0.06 0.60 -0.13 -0.33 0.02 0.00 0.00 177.57 177.79 2ba3 h GLU 26 N 0.39 0.75 -0.27 1.57 3.07 -1.88 0.17 114.58 118.39 2ba3 h GLU 26 Ca -0.02 -0.31 -0.03 0.00 -0.50 0.00 0.00 59.36 58.50 2ba3 h GLU 26 Cb 1.23 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2ba3 h GLU 26 CO 0.12 0.91 0.03 0.22 -1.40 0.00 0.00 179.01 178.90 2ba3 h ASP 27 N 0.55 0.43 -0.37 1.42 3.58 -1.05 0.12 116.42 121.10 2ba3 h ASP 27 Ca 0.09 -0.27 0.06 0.00 0.42 0.00 0.00 57.03 57.33 2ba3 h ASP 27 Cb 0.66 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 2ba3 h ASP 27 CO 0.04 0.59 0.03 -0.08 -2.88 0.00 0.00 179.24 176.95 2ba3 h GLU 28 N 0.25 0.14 0.08 0.28 4.81 -0.94 0.38 114.58 119.58 2ba3 h GLU 28 Ca 0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2ba3 h GLU 28 Cb 0.35 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2ba3 h GLU 28 CO 0.01 0.09 -0.04 1.15 -0.73 0.00 0.00 179.01 179.49 2ba3 h THR 29 N 0.14 1.13 -0.20 0.32 2.02 -0.77 0.70 112.91 116.26 2ba3 h THR 29 Ca 0.18 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 2ba3 h THR 29 Cb 0.23 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2ba3 h THR 29 CO -0.27 0.20 0.12 0.40 0.37 0.00 0.00 175.52 176.34 2ba3 h ILE 30 N -0.49 1.06 0.01 3.11 2.04 -0.55 0.12 117.51 122.82 2ba3 h ILE 30 Ca -0.01 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 2ba3 h ILE 30 Cb 0.41 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2ba3 h ILE 30 CO 0.02 0.06 -0.53 -0.09 0.00 0.00 0.00 178.15 177.61 2ba3 h ARG 31 N 0.27 0.34 -0.04 2.37 2.43 -0.80 0.09 114.38 119.03 2ba3 h ARG 31 Ca 0.07 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 2ba3 h ARG 31 Cb -0.01 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2ba3 h ARG 31 CO -0.01 1.07 -0.28 1.57 -1.51 0.00 0.00 179.97 180.80 2ba3 h LYS 32 N -0.23 0.07 0.01 0.20 5.09 -0.35 0.36 116.57 121.72 2ba3 h LYS 32 Ca -0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 60.65 60.62 2ba3 h LYS 32 Cb 1.26 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.59 2ba3 h LYS 32 CO 0.10 0.35 -0.13 0.87 -2.09 0.00 0.00 179.45 178.55 2ba3 h LYS 33 N 0.06 0.07 0.24 0.07 1.79 -0.79 -2.29 116.57 115.73 2ba3 h LYS 33 Ca 0.01 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2ba3 h LYS 33 Cb 0.54 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 2ba3 h LYS 33 CO 0.04 0.93 -0.39 0.00 -1.08 0.00 0.00 179.45 178.95 2ba3 h ALA 34 N 0.15 -0.76 -0.72 3.86 0.00 -0.71 -0.08 119.26 121.00 2ba3 h ALA 34 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2ba3 h ALA 34 Cb 0.98 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2ba3 h ALA 34 CO 0.03 -0.98 0.31 1.49 0.00 0.00 0.00 179.25 180.09 2ba3 h GLU 35 N -0.70 1.06 0.00 0.00 4.57 -0.99 -0.26 114.58 118.25 2ba3 h GLU 35 Ca -0.00 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 2ba3 h GLU 35 Cb 0.68 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2ba3 h GLU 35 CO -0.15 0.86 -0.22 0.22 -1.18 0.00 0.00 179.01 178.54 2ba3 h ASP 36 N 1.02 0.00 0.10 1.04 3.58 -1.17 -1.23 116.42 119.77 2ba3 h ASP 36 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2ba3 h ASP 36 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2ba3 h ASP 36 CO -0.02 0.22 -0.11 -0.24 -2.88 0.00 0.00 179.24 176.20 2ba3 n SER 37 N -3.82 1.25 -2.18 2.28 2.88 -0.06 -4.95 113.62 109.01 2ba3 n SER 37 Ca -0.02 -1.21 -0.16 0.00 -1.33 0.00 0.00 58.87 56.15 2ba3 n SER 37 Cb 0.31 0.05 0.02 0.00 -0.75 0.00 0.00 64.21 63.85 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 1.25 -0.23 3.24 0.46 0.00 -0.46 -5.02 105.19 104.43 2ba3 n GLY 38 Ca 0.16 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.94 2.35 0.44 0.99 1.43 -0.22 -5.01 118.68 113.71 2ba3 s LEU 39 Ca 0.17 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.31 2ba3 s LEU 39 Cb -0.08 -0.64 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 2ba3 s LEU 39 CO 0.21 -0.07 1.01 0.28 0.23 0.00 0.00 176.35 178.01 2ba3 s THR 40 N -1.71 3.96 0.31 5.49 -1.32 -1.26 -3.62 115.64 117.49 2ba3 s THR 40 Ca 0.06 1.32 0.08 0.00 -1.21 0.00 0.00 61.69 61.94 2ba3 s THR 40 Cb -0.07 -3.59 0.31 0.00 -1.51 0.00 0.00 72.50 67.63 2ba3 s THR 40 CO 0.03 -0.16 1.76 0.58 -2.21 0.00 0.00 174.62 174.63 2ba3 h VAL 41 N 1.90 0.65 -0.24 5.08 2.07 -1.90 0.12 116.25 123.92 2ba3 h VAL 41 Ca -0.49 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2ba3 h VAL 41 Cb 1.21 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2ba3 h VAL 41 CO 0.61 0.13 0.11 0.77 0.02 0.00 0.00 177.57 179.21 2ba3 h SER 42 N 0.69 0.16 -0.19 0.57 4.64 -1.98 0.13 113.55 117.57 2ba3 h SER 42 Ca 0.60 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.89 2ba3 h SER 42 Cb 1.02 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 2ba3 h SER 42 CO -0.40 0.12 -0.05 0.00 -0.87 0.00 0.00 176.83 175.63 2ba3 h ALA 43 N 1.13 0.26 -0.13 5.18 0.00 -1.53 -2.98 119.26 121.19 2ba3 h ALA 43 Ca 0.10 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2ba3 h ALA 43 Cb 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2ba3 h ALA 43 CO -0.08 0.04 -0.25 -0.92 0.00 0.00 0.00 179.25 178.05 2ba3 h TYR 44 N 0.08 -0.67 0.16 0.00 5.03 -0.55 0.99 116.97 122.01 2ba3 h TYR 44 Ca 0.05 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.39 2ba3 h TYR 44 Cb 0.50 0.32 -0.03 0.00 1.55 0.00 0.00 36.73 39.07 2ba3 h TYR 44 CO 0.05 -0.33 -0.42 0.82 -1.32 0.00 0.00 178.16 176.96 2ba3 h ILE 45 N -0.32 0.00 -0.35 1.81 1.08 -0.99 -0.15 117.51 118.58 2ba3 h ILE 45 Ca 0.10 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 2ba3 h ILE 45 Cb 0.47 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 2ba3 h ILE 45 CO -0.31 0.00 0.21 0.08 -0.69 0.00 0.00 178.15 177.44 2ba3 h ARG 46 N -0.64 0.48 -0.08 2.37 0.11 -1.39 -0.95 114.38 114.27 2ba3 h ARG 46 Ca -0.02 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 60.06 2ba3 h ARG 46 Cb 0.62 -0.10 -0.06 0.00 1.11 0.00 0.00 29.97 31.55 2ba3 h ARG 46 CO -0.19 0.37 -0.32 -0.97 0.10 0.00 0.00 179.97 178.95 2ba3 h ASN 47 N 0.46 -1.00 0.31 0.08 -1.24 -0.56 -0.79 115.58 112.84 2ba3 h ASN 47 Ca 0.13 0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.21 2ba3 h ASN 47 Cb 0.01 0.41 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2ba3 h ASN 47 CO -0.02 -0.37 -0.30 0.00 -1.29 0.00 0.00 177.43 175.44 2ba3 h ALA 48 N 0.35 1.48 0.00 1.57 0.00 -0.97 -0.52 119.26 121.17 2ba3 h ALA 48 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ba3 h ALA 48 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2ba3 h ALA 48 CO -0.32 0.38 -0.14 0.00 0.00 0.00 0.00 179.25 179.17 2ba3 h ALA 49 N 1.70 0.93 0.00 0.00 0.00 -0.41 -3.37 119.26 118.10 2ba3 h ALA 49 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2ba3 h ALA 49 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2ba3 h ALA 49 CO 0.04 0.00 -2.00 1.28 0.00 0.00 0.00 179.25 178.57 2ba3 n LEU 50 N -3.01 2.08 -0.87 0.00 4.77 -0.37 -5.07 117.00 114.53 2ba3 n LEU 50 Ca 0.04 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 2ba3 n LEU 50 Cb 0.53 -0.33 0.18 0.00 -2.33 0.00 0.00 43.42 41.46 2ba3 n LEU 50 CO 0.35 0.67 0.67 0.59 -1.33 0.00 0.00 177.39 178.33