#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 5.66 0.16 6.43 -4.77 -1.26 -5.13 116.67 117.76 2ba3 s ASP 2 Ca 0.00 0.22 0.02 0.00 -3.30 0.00 0.00 52.55 49.48 2ba3 s ASP 2 Cb 0.00 -1.35 -0.05 0.00 -1.09 0.00 0.00 42.92 40.43 2ba3 s ASP 2 CO 0.00 -0.84 -0.00 -0.94 0.70 0.00 0.00 175.17 174.08 2ba3 s SER 3 N -4.28 1.14 -1.31 2.11 1.04 -1.26 -5.07 113.70 106.07 2ba3 s SER 3 Ca 0.51 -1.15 -0.17 0.00 0.48 0.00 0.00 55.95 55.62 2ba3 s SER 3 Cb -0.10 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.18 2ba3 s SER 3 CO 0.38 -0.56 1.94 0.00 0.98 0.00 0.00 173.24 175.97 2ba3 n ALA 4 N -0.20 4.07 0.11 5.32 0.00 -1.26 -4.68 120.51 123.86 2ba3 n ALA 4 Ca -0.07 -3.76 -0.01 0.00 0.00 0.00 0.00 53.44 49.60 2ba3 n ALA 4 Cb 0.63 -3.58 -0.02 0.00 0.00 0.00 0.00 19.45 16.48 2ba3 n ALA 4 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2ba3 h VAL 5 N 5.01 1.23 -4.18 0.00 3.04 -2.05 -3.45 116.25 115.84 2ba3 h VAL 5 Ca 0.47 -2.70 -0.49 0.00 -1.01 0.00 0.00 66.70 62.97 2ba3 h VAL 5 Cb 0.78 2.58 0.14 0.00 -2.01 0.00 0.00 31.29 32.78 2ba3 h VAL 5 CO 1.62 0.69 0.28 -0.13 -1.01 0.00 0.00 177.57 179.03 2ba3 s ARG 6 N -2.89 1.71 0.00 4.17 0.52 -1.26 -5.02 118.95 116.18 2ba3 s ARG 6 Ca 0.03 0.90 0.00 0.00 -0.52 0.00 0.00 55.73 56.14 2ba3 s ARG 6 Cb 0.09 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.70 2ba3 s ARG 6 CO 0.77 -1.95 0.00 1.63 0.02 0.00 0.00 175.30 175.78 2ba3 n LYS 7 N -3.69 0.00 -3.21 3.54 5.02 -1.26 -5.08 118.16 113.47 2ba3 n LYS 7 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.29 2ba3 n LYS 7 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.52 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 -0.26 0.80 -0.02 1.97 -2.85 -1.26 -5.14 119.74 112.98 2ba3 s LYS 8 Ca 0.00 -0.71 0.01 0.00 -1.00 0.00 0.00 55.97 54.28 2ba3 s LYS 8 Cb 0.00 -0.31 0.01 0.00 -2.06 0.00 0.00 37.83 35.47 2ba3 s LYS 8 CO 0.00 -1.22 -0.04 -1.12 0.10 0.00 0.00 175.35 173.06 2ba3 s SER 9 N 1.45 0.62 0.00 0.03 0.01 -1.26 -5.05 113.70 109.50 2ba3 s SER 9 Ca 0.19 -0.09 0.24 0.00 1.31 0.00 0.00 55.95 57.61 2ba3 s SER 9 Cb -0.07 -0.16 0.25 0.00 0.21 0.00 0.00 66.02 66.25 2ba3 s SER 9 CO -0.06 0.01 1.30 1.21 0.41 0.00 0.00 173.24 176.12 2ba3 n GLU 10 N 3.34 2.33 -2.47 12.44 2.13 -1.26 -4.96 120.64 132.20 2ba3 n GLU 10 Ca -0.18 -1.95 -0.41 0.00 0.66 0.00 0.00 57.16 55.29 2ba3 n GLU 10 Cb 0.56 -1.47 -0.04 0.00 0.27 0.00 0.00 31.44 30.76 2ba3 n GLU 10 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ba3 s VAL 11 N -1.93 3.56 -0.02 6.31 1.01 -1.26 -5.06 120.40 123.01 2ba3 s VAL 11 Ca 0.30 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.77 2ba3 s VAL 11 Cb 0.20 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2ba3 s VAL 11 CO 0.30 0.33 0.03 -0.13 0.00 0.00 0.00 175.10 175.63 2ba3 s ARG 12 N -1.13 -0.04 -0.32 2.72 0.52 -1.26 -5.11 118.95 114.34 2ba3 s ARG 12 Ca 0.46 0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.86 2ba3 s ARG 12 Cb -0.32 -0.23 0.15 0.00 0.52 0.00 0.00 34.95 35.07 2ba3 s ARG 12 CO 0.40 -0.16 0.34 1.14 0.02 0.00 0.00 175.30 177.04 2ba3 s GLN 13 N 1.01 0.45 -0.00 3.54 0.00 -1.26 -5.01 119.66 118.39 2ba3 s GLN 13 Ca -0.08 -0.37 0.00 0.00 -0.00 0.00 0.00 55.36 54.90 2ba3 s GLN 13 Cb -0.12 -0.63 0.01 0.00 0.00 0.00 0.00 33.01 32.27 2ba3 s GLN 13 CO -0.03 -1.09 0.71 0.36 0.00 0.00 0.00 175.29 175.24 2ba3 n LYS 14 N 4.92 1.04 -3.60 9.60 2.85 -1.26 -4.76 118.16 126.94 2ba3 n LYS 14 Ca 0.03 -0.04 -0.06 0.00 -1.05 0.00 0.00 58.31 57.19 2ba3 n LYS 14 Cb 0.46 -1.31 -0.02 0.00 -0.65 0.00 0.00 35.03 33.51 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 -0.63 0.00 0.21 0.58 -1.32 -1.26 -5.18 115.64 108.04 2ba3 s THR 15 Ca 0.01 -0.26 0.08 0.00 -1.21 0.00 0.00 61.69 60.30 2ba3 s THR 15 Cb 0.01 -1.41 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 2ba3 s THR 15 CO 0.00 0.00 0.05 -0.69 -2.21 0.00 0.00 174.62 171.77 2ba3 s VAL 16 N -3.15 3.89 -0.13 5.08 1.01 -1.26 -5.12 120.40 120.71 2ba3 s VAL 16 Ca 0.08 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.53 2ba3 s VAL 16 Cb -0.01 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.40 2ba3 s VAL 16 CO -0.04 -0.22 0.05 0.54 0.00 0.00 0.00 175.10 175.43 2ba3 s VAL 17 N -1.95 0.16 -0.00 2.92 0.11 -1.26 -5.14 120.40 115.23 2ba3 s VAL 17 Ca 0.30 -0.11 -0.08 0.00 -2.93 0.00 0.00 61.98 59.16 2ba3 s VAL 17 Cb -0.08 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2ba3 s VAL 17 CO 0.21 -0.08 0.16 -0.60 -3.33 0.00 0.00 175.10 171.46 2ba3 s ARG 18 N 2.04 0.48 -0.10 1.54 3.52 -1.26 -5.15 118.95 120.02 2ba3 s ARG 18 Ca 0.02 -0.33 -0.16 0.00 -0.13 0.00 0.00 55.73 55.14 2ba3 s ARG 18 Cb -0.15 0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.40 2ba3 s ARG 18 CO -0.07 -0.11 0.39 0.99 -0.81 0.00 0.00 175.30 175.69 2ba3 s THR 19 N -1.26 5.19 0.10 4.11 2.01 -1.26 -5.09 115.64 119.45 2ba3 s THR 19 Ca -0.13 0.77 0.06 0.00 0.31 0.00 0.00 61.69 62.70 2ba3 s THR 19 Cb -0.07 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2ba3 s THR 19 CO 0.02 0.42 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.46 2ba3 s LEU 20 N 0.11 2.33 0.12 4.42 1.43 -1.26 -5.16 118.68 120.68 2ba3 s LEU 20 Ca 0.22 -0.71 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2ba3 s LEU 20 Cb -0.15 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 2ba3 s LEU 20 CO 0.09 -0.09 -0.08 -0.13 0.23 0.00 0.00 176.35 176.37 2ba3 s ARG 21 N -2.15 2.18 -0.12 1.70 1.81 -1.26 -5.14 118.95 115.96 2ba3 s ARG 21 Ca 0.04 -1.06 -0.11 0.00 -1.72 0.00 0.00 55.73 52.88 2ba3 s ARG 21 Cb -0.08 -2.31 0.03 0.00 -0.45 0.00 0.00 34.95 32.15 2ba3 s ARG 21 CO 0.03 0.49 0.31 -0.06 -0.68 0.00 0.00 175.30 175.39 2ba3 s PHE 22 N -1.36 -0.35 0.96 -0.53 0.40 -1.26 -5.12 117.98 110.73 2ba3 s PHE 22 Ca 0.23 0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 57.29 2ba3 s PHE 22 Cb -0.11 0.12 0.17 0.00 0.51 0.00 0.00 43.02 43.71 2ba3 s PHE 22 CO 0.15 -0.17 1.10 -1.12 0.70 0.00 0.00 175.22 175.87 2ba3 s SER 23 N 0.23 2.93 0.17 1.36 0.01 -1.26 -4.77 113.70 112.37 2ba3 s SER 23 Ca -0.01 1.22 -0.10 0.00 1.31 0.00 0.00 55.95 58.37 2ba3 s SER 23 Cb -0.03 -1.88 0.05 0.00 0.21 0.00 0.00 66.02 64.37 2ba3 s SER 23 CO -0.00 -2.94 1.63 1.55 0.41 0.00 0.00 173.24 173.88 2ba3 h PRO 24 N -1.76 0.99 -0.25 12.44 0.13 -2.02 -0.13 132.00 141.40 2ba3 h PRO 24 Ca -0.53 -0.31 -0.05 0.00 -0.87 0.00 0.00 66.00 64.24 2ba3 h PRO 24 Cb 1.32 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2ba3 h PRO 24 CO 0.58 0.99 -0.03 0.28 -0.23 0.00 0.00 178.00 179.59 2ba3 h VAL 25 N 0.88 1.27 -0.44 1.56 2.07 -1.99 -2.03 116.25 117.57 2ba3 h VAL 25 Ca 0.16 -0.99 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 2ba3 h VAL 25 Cb 0.54 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2ba3 h VAL 25 CO 0.03 0.31 -0.23 -0.33 0.02 0.00 0.00 177.57 177.37 2ba3 h GLU 26 N 0.23 0.90 -0.42 1.57 5.08 -1.92 -1.42 114.58 118.59 2ba3 h GLU 26 Ca 0.07 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 2ba3 h GLU 26 Cb 0.47 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2ba3 h GLU 26 CO 0.02 1.03 0.10 0.22 -1.00 0.00 0.00 179.01 179.38 2ba3 h ASP 27 N 0.78 0.64 -0.37 1.42 3.58 -1.00 -1.35 116.42 120.12 2ba3 h ASP 27 Ca 0.10 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 2ba3 h ASP 27 Cb 0.78 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2ba3 h ASP 27 CO 0.06 0.71 0.19 -0.08 -2.88 0.00 0.00 179.24 177.24 2ba3 h GLU 28 N 0.55 0.53 0.04 0.28 4.81 -1.23 0.06 114.58 119.62 2ba3 h GLU 28 Ca 0.13 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2ba3 h GLU 28 Cb 0.32 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2ba3 h GLU 28 CO 0.00 0.46 -0.18 1.15 -0.73 0.00 0.00 179.01 179.71 2ba3 h THR 29 N 0.46 0.57 -0.90 0.32 2.02 -1.03 -0.43 112.91 113.92 2ba3 h THR 29 Ca 0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2ba3 h THR 29 Cb 0.10 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 2ba3 h THR 29 CO -0.02 0.00 0.58 0.40 0.37 0.00 0.00 175.52 176.85 2ba3 h ILE 30 N -0.32 1.11 -0.24 3.11 2.04 -1.03 -0.12 117.51 122.06 2ba3 h ILE 30 Ca 0.04 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2ba3 h ILE 30 Cb 0.37 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 2ba3 h ILE 30 CO -0.14 0.20 0.13 -0.09 0.00 0.00 0.00 178.15 178.25 2ba3 h ARG 31 N 1.09 0.33 -0.21 2.37 2.43 -0.13 -0.30 114.38 119.95 2ba3 h ARG 31 Ca 0.37 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2ba3 h ARG 31 Cb 0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2ba3 h ARG 31 CO -0.14 0.29 0.02 0.87 -1.51 0.00 0.00 179.97 179.50 2ba3 h LYS 32 N 0.28 0.35 -0.19 0.20 6.56 -0.61 -1.11 116.57 122.05 2ba3 h LYS 32 Ca 0.08 -0.10 0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2ba3 h LYS 32 Cb 0.05 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2ba3 h LYS 32 CO -0.01 0.52 0.11 0.87 -2.06 0.00 0.00 179.45 178.87 2ba3 h LYS 33 N 0.14 0.22 -0.05 3.15 1.79 -0.95 -1.93 116.57 118.93 2ba3 h LYS 33 Ca 0.06 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2ba3 h LYS 33 Cb 0.34 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2ba3 h LYS 33 CO 0.01 0.14 0.01 0.00 -1.08 0.00 0.00 179.45 178.53 2ba3 h ALA 34 N 1.09 0.05 -0.22 3.86 0.00 -1.00 0.58 119.26 123.61 2ba3 h ALA 34 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2ba3 h ALA 34 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ba3 h ALA 34 CO -0.04 -0.47 -0.03 1.49 0.00 0.00 0.00 179.25 180.20 2ba3 h GLU 35 N 0.03 0.03 -0.30 0.00 4.57 -1.08 -0.88 114.58 116.96 2ba3 h GLU 35 Ca 0.02 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2ba3 h GLU 35 Cb 0.02 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2ba3 h GLU 35 CO -0.03 0.02 -0.11 0.22 -1.18 0.00 0.00 179.01 177.93 2ba3 h ASP 36 N 0.03 0.62 0.59 1.04 3.58 -1.25 -2.95 116.42 118.08 2ba3 h ASP 36 Ca 0.11 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2ba3 h ASP 36 Cb 0.15 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2ba3 h ASP 36 CO -0.21 0.87 0.00 -1.28 -2.88 0.00 0.00 179.24 175.74 2ba3 h SER 37 N 0.37 0.00 -0.35 2.28 0.87 -0.66 -3.46 113.55 112.60 2ba3 h SER 37 Ca 0.07 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 2ba3 h SER 37 Cb 0.61 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 2ba3 h SER 37 CO 0.04 0.00 -0.13 0.61 -0.53 0.00 0.00 176.83 176.82 2ba3 n GLY 38 N -0.42 0.88 3.05 5.77 0.00 -0.38 -5.00 105.19 109.09 2ba3 n GLY 38 Ca -0.00 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.58 3.66 0.82 0.99 1.43 -0.90 -5.05 118.68 118.05 2ba3 s LEU 39 Ca 0.00 -1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 51.40 2ba3 s LEU 39 Cb 0.00 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2ba3 s LEU 39 CO 0.00 -0.23 0.39 1.07 0.23 0.00 0.00 176.35 177.81 2ba3 n THR 40 N 4.41 1.00 -0.31 5.49 5.66 -1.26 -4.14 114.28 125.13 2ba3 n THR 40 Ca -0.10 -0.33 0.15 0.00 -3.05 0.00 0.00 64.05 60.72 2ba3 n THR 40 Cb 0.42 -0.64 0.32 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.83 0.29 -0.48 1.08 2.07 -1.89 0.23 116.25 116.72 2ba3 h VAL 41 Ca -0.45 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2ba3 h VAL 41 Cb 1.32 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2ba3 h VAL 41 CO 0.38 0.04 0.06 0.77 0.02 0.00 0.00 177.57 178.84 2ba3 h SER 42 N 0.21 0.78 -0.28 0.57 4.64 -1.99 -1.03 113.55 116.44 2ba3 h SER 42 Ca 0.58 -0.27 -0.05 0.00 -0.47 0.00 0.00 61.79 61.58 2ba3 h SER 42 Cb 1.21 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2ba3 h SER 42 CO -0.67 0.86 -0.01 0.00 -0.87 0.00 0.00 176.83 176.14 2ba3 h ALA 43 N 0.95 0.38 -0.08 5.18 0.00 -1.25 -2.56 119.26 121.88 2ba3 h ALA 43 Ca 0.14 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ba3 h ALA 43 Cb 0.42 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2ba3 h ALA 43 CO 0.01 0.13 -0.11 -0.92 0.00 0.00 0.00 179.25 178.36 2ba3 h TYR 44 N 0.28 -0.27 0.54 0.00 3.20 -0.56 0.27 116.97 120.43 2ba3 h TYR 44 Ca 0.08 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2ba3 h TYR 44 Cb 0.44 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2ba3 h TYR 44 CO 0.04 -0.16 -0.46 0.82 -1.64 0.00 0.00 178.16 176.75 2ba3 h ILE 45 N -0.15 0.09 -0.22 1.81 1.08 -1.15 -0.16 117.51 118.81 2ba3 h ILE 45 Ca 0.07 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2ba3 h ILE 45 Cb 0.24 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 2ba3 h ILE 45 CO -0.17 0.00 0.04 0.08 -0.69 0.00 0.00 178.15 177.41 2ba3 h ARG 46 N -0.99 0.12 0.24 2.37 0.11 -1.33 -1.34 114.38 113.56 2ba3 h ARG 46 Ca -0.06 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.02 2ba3 h ARG 46 Cb 0.84 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.87 2ba3 h ARG 46 CO -0.02 0.08 -0.33 -0.97 0.10 0.00 0.00 179.97 178.83 2ba3 h ASN 47 N 0.12 -0.91 -0.01 0.08 -1.24 -0.81 -2.00 115.58 110.82 2ba3 h ASN 47 Ca 0.10 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.20 2ba3 h ASN 47 Cb 0.10 0.33 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 2ba3 h ASN 47 CO -0.13 -0.44 0.01 0.00 -1.29 0.00 0.00 177.43 175.57 2ba3 h ALA 48 N -0.06 1.69 0.00 1.57 0.00 -0.92 0.21 119.26 121.75 2ba3 h ALA 48 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ba3 h ALA 48 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ba3 h ALA 48 CO -0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 179.25 178.85 2ba3 n ALA 49 N -2.39 2.73 -0.05 0.00 0.00 -0.52 -4.09 120.51 116.19 2ba3 n ALA 49 Ca -0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.19 2ba3 n ALA 49 Cb 0.09 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.14 2ba3 n ALA 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ba3 n LEU 50 N -1.85 0.02 -0.33 0.00 4.77 -0.60 -5.07 117.00 113.94 2ba3 n LEU 50 Ca 0.05 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 2ba3 n LEU 50 Cb 0.39 0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 2ba3 n LEU 50 CO 0.32 0.25 0.38 0.59 -1.33 0.00 0.00 177.39 177.60