#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba3 n ASP 2 N 0.00 0.02 -0.35 6.43 5.75 -1.26 -5.11 116.55 122.03 2ba3 n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2ba3 n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2ba3 n ASP 2 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2ba3 n SER 3 N 0.00 0.00 0.29 -1.12 7.64 -1.26 -4.94 113.62 114.23 2ba3 n SER 3 Ca 0.00 -1.44 0.19 0.00 1.01 0.00 0.00 58.87 58.63 2ba3 n SER 3 Cb 0.00 -0.09 1.02 0.00 -1.01 0.00 0.00 64.21 64.13 2ba3 n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ba3 h ALA 4 N 0.00 1.02 -0.53 -0.43 0.00 -1.99 -2.95 119.26 114.38 2ba3 h ALA 4 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2ba3 h ALA 4 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2ba3 h ALA 4 CO 0.00 -0.02 0.50 -0.24 0.00 0.00 0.00 179.25 179.49 2ba3 h VAL 5 N 0.00 0.43 0.00 0.00 3.04 -2.03 -1.11 116.25 116.58 2ba3 h VAL 5 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2ba3 h VAL 5 Cb 0.04 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2ba3 h VAL 5 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.57 174.45 2ba3 n ARG 6 N -3.86 0.43 -3.67 4.17 1.85 -1.11 -4.58 116.66 109.88 2ba3 n ARG 6 Ca 0.10 0.02 -0.17 0.00 -1.00 0.00 0.00 57.85 56.81 2ba3 n ARG 6 Cb 0.71 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 30.46 2ba3 n ARG 6 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2ba3 s LYS 7 N -2.08 0.02 0.00 2.89 -2.85 -0.42 -5.02 119.74 112.28 2ba3 s LYS 7 Ca 0.21 0.53 0.25 0.00 -1.00 0.00 0.00 55.97 55.95 2ba3 s LYS 7 Cb 0.10 -0.29 0.75 0.00 -2.06 0.00 0.00 37.83 36.33 2ba3 s LYS 7 CO 0.18 -0.30 1.57 1.63 0.10 0.00 0.00 175.35 178.53 2ba3 n LYS 8 N 5.23 1.88 -4.04 1.78 5.02 -1.26 -4.94 118.16 121.83 2ba3 n LYS 8 Ca -0.06 -1.30 -0.15 0.00 -2.02 0.00 0.00 58.31 54.78 2ba3 n LYS 8 Cb 0.50 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.55 -1.50 -4.13 4.39 3.41 -1.26 -5.20 113.62 109.88 2ba3 n SER 9 Ca 0.17 -2.93 -0.19 0.00 -0.26 0.00 0.00 58.87 55.66 2ba3 n SER 9 Cb 0.41 2.75 -0.09 0.00 -0.26 0.00 0.00 64.21 67.02 2ba3 n SER 9 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ba3 s GLU 10 N -2.76 1.59 -0.31 4.33 2.02 -1.26 -5.13 118.70 117.18 2ba3 s GLU 10 Ca 0.29 -1.90 0.02 0.00 0.02 0.00 0.00 54.97 53.39 2ba3 s GLU 10 Cb -0.01 -0.27 0.09 0.00 0.10 0.00 0.00 34.13 34.03 2ba3 s GLU 10 CO 0.21 -0.39 0.04 0.14 0.02 0.00 0.00 175.26 175.28 2ba3 s VAL 11 N -3.57 1.76 -0.29 2.63 -7.23 -1.26 -5.05 120.40 107.39 2ba3 s VAL 11 Ca 0.35 -1.87 -0.14 0.00 -1.81 0.00 0.00 61.98 58.51 2ba3 s VAL 11 Cb 0.06 -2.24 0.13 0.00 0.56 0.00 0.00 36.38 34.89 2ba3 s VAL 11 CO 0.16 -0.52 0.80 0.00 -0.31 0.00 0.00 175.10 175.23 2ba3 s ARG 12 N 1.19 0.50 -0.81 4.82 1.70 -1.26 -5.11 118.95 119.98 2ba3 s ARG 12 Ca 0.07 1.08 -0.08 0.00 -0.47 0.00 0.00 55.73 56.33 2ba3 s ARG 12 Cb -0.19 0.46 0.21 0.00 -0.57 0.00 0.00 34.95 34.87 2ba3 s ARG 12 CO -0.13 -0.14 0.71 -0.65 -1.08 0.00 0.00 175.30 174.02 2ba3 s GLN 13 N 2.23 3.32 0.63 3.89 -0.21 -1.26 -4.92 119.66 123.33 2ba3 s GLN 13 Ca -0.07 -2.71 0.35 0.00 0.02 0.00 0.00 55.36 52.96 2ba3 s GLN 13 Cb -0.07 -4.16 1.98 0.00 1.00 0.00 0.00 33.01 31.75 2ba3 s GLN 13 CO -0.18 -1.24 2.22 1.57 -2.12 0.00 0.00 175.29 175.53 2ba3 h LYS 14 N 7.14 0.00 -7.11 2.91 2.10 -2.04 -3.43 116.57 116.14 2ba3 h LYS 14 Ca 0.09 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.24 2ba3 h LYS 14 Cb 0.96 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.34 2ba3 h LYS 14 CO 0.79 0.00 0.22 -0.08 -2.00 0.00 0.00 179.45 178.38 2ba3 s THR 15 N -4.39 4.58 -0.81 0.07 -1.32 -1.26 -5.04 115.64 107.47 2ba3 s THR 15 Ca -0.05 0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 60.77 2ba3 s THR 15 Cb 0.14 -3.78 0.20 0.00 -1.51 0.00 0.00 72.50 67.55 2ba3 s THR 15 CO 0.46 -0.86 0.68 -0.69 -2.21 0.00 0.00 174.62 172.00 2ba3 s VAL 16 N -2.93 4.31 -0.22 5.08 1.01 -1.26 -5.04 120.40 121.35 2ba3 s VAL 16 Ca 0.51 -3.44 -0.26 0.00 0.00 0.00 0.00 61.98 58.79 2ba3 s VAL 16 Cb -0.11 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2ba3 s VAL 16 CO 0.48 -1.02 0.90 0.54 0.00 0.00 0.00 175.10 176.00 2ba3 s VAL 17 N -0.80 4.80 0.18 2.92 0.11 -1.26 -5.00 120.40 121.35 2ba3 s VAL 17 Ca 0.23 1.73 -0.19 0.00 -2.93 0.00 0.00 61.98 60.82 2ba3 s VAL 17 Cb -0.12 -4.18 0.04 0.00 -1.53 0.00 0.00 36.38 30.59 2ba3 s VAL 17 CO -0.09 -0.08 0.55 -0.60 -3.33 0.00 0.00 175.10 171.55 2ba3 s ARG 18 N 2.76 1.35 -0.18 1.54 3.52 -1.26 -5.15 118.95 121.52 2ba3 s ARG 18 Ca 0.39 -0.74 -0.08 0.00 -0.13 0.00 0.00 55.73 55.16 2ba3 s ARG 18 Cb -0.16 0.54 -0.04 0.00 -1.56 0.00 0.00 34.95 33.73 2ba3 s ARG 18 CO 0.08 -0.58 0.09 0.99 -0.81 0.00 0.00 175.30 175.08 2ba3 s THR 19 N -3.83 5.06 -0.08 4.11 2.01 -1.26 -5.09 115.64 116.55 2ba3 s THR 19 Ca 0.06 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2ba3 s THR 19 Cb -0.01 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.23 2ba3 s THR 19 CO -0.06 0.46 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.03 2ba3 s LEU 20 N 0.26 1.37 0.18 4.42 1.98 -1.26 -5.15 118.68 120.48 2ba3 s LEU 20 Ca 0.06 -0.26 0.06 0.00 -2.89 0.00 0.00 54.13 51.10 2ba3 s LEU 20 Cb -0.12 -0.74 -0.04 0.00 0.66 0.00 0.00 46.19 45.95 2ba3 s LEU 20 CO -0.01 -0.05 0.10 -0.13 -1.89 0.00 0.00 176.35 174.38 2ba3 s ARG 21 N 1.15 2.76 0.06 1.98 0.52 -1.26 -5.14 118.95 119.02 2ba3 s ARG 21 Ca -0.06 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 2ba3 s ARG 21 Cb -0.14 -2.55 -0.00 0.00 0.52 0.00 0.00 34.95 32.78 2ba3 s ARG 21 CO -0.02 0.46 0.03 1.19 0.02 0.00 0.00 175.30 176.99 2ba3 n PHE 22 N -0.40 -0.02 -4.56 -0.53 3.01 -1.26 -5.14 117.46 108.55 2ba3 n PHE 22 Ca -0.09 -0.39 -0.30 0.00 1.01 0.00 0.00 57.45 57.68 2ba3 n PHE 22 Cb 0.55 0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.96 2ba3 n PHE 22 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2ba3 s SER 23 N -1.36 4.16 0.03 4.37 0.01 -1.26 -4.97 113.70 114.69 2ba3 s SER 23 Ca 0.04 -1.49 -0.25 0.00 1.31 0.00 0.00 55.95 55.56 2ba3 s SER 23 Cb 0.00 0.21 -0.18 0.00 0.21 0.00 0.00 66.02 66.27 2ba3 s SER 23 CO 0.03 -0.76 1.46 1.55 0.41 0.00 0.00 173.24 175.93 2ba3 h PRO 24 N 1.38 -0.10 -0.59 12.44 0.13 -2.03 -0.45 132.00 142.77 2ba3 h PRO 24 Ca -0.43 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2ba3 h PRO 24 Cb 1.29 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2ba3 h PRO 24 CO 0.73 0.15 0.38 0.28 -0.23 0.00 0.00 178.00 179.31 2ba3 h VAL 25 N -0.36 1.12 -0.12 1.56 2.07 -1.98 -0.11 116.25 118.43 2ba3 h VAL 25 Ca -0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2ba3 h VAL 25 Cb 0.31 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2ba3 h VAL 25 CO 0.02 0.14 0.01 -0.33 0.02 0.00 0.00 177.57 177.42 2ba3 h GLU 26 N 0.76 0.20 -0.60 1.57 4.39 -1.96 -0.99 114.58 117.96 2ba3 h GLU 26 Ca 0.22 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2ba3 h GLU 26 Cb -0.05 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2ba3 h GLU 26 CO -0.07 0.43 0.34 0.22 -1.16 0.00 0.00 179.01 178.76 2ba3 h ASP 27 N -0.05 0.74 -0.11 1.42 3.58 -0.88 -1.06 116.42 120.05 2ba3 h ASP 27 Ca 0.03 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2ba3 h ASP 27 Cb 0.33 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2ba3 h ASP 27 CO 0.00 0.61 0.06 -0.08 -2.88 0.00 0.00 179.24 176.95 2ba3 h GLU 28 N 0.81 0.16 -0.01 0.28 4.81 -0.97 0.26 114.58 119.91 2ba3 h GLU 28 Ca 0.21 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2ba3 h GLU 28 Cb 0.03 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2ba3 h GLU 28 CO -0.04 0.20 -0.12 1.15 -0.73 0.00 0.00 179.01 179.47 2ba3 h THR 29 N 0.08 0.70 -0.69 0.32 2.02 -0.93 0.29 112.91 114.69 2ba3 h THR 29 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 2ba3 h THR 29 Cb 0.09 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2ba3 h THR 29 CO -0.01 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.59 2ba3 h ILE 30 N -0.20 1.24 0.20 3.11 2.04 -1.03 -1.32 117.51 121.55 2ba3 h ILE 30 Ca 0.05 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2ba3 h ILE 30 Cb 0.26 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2ba3 h ILE 30 CO -0.13 0.29 -0.10 -0.09 0.00 0.00 0.00 178.15 178.12 2ba3 h ARG 31 N 0.97 -0.26 -0.31 2.37 2.43 -0.05 0.26 114.38 119.79 2ba3 h ARG 31 Ca 0.23 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2ba3 h ARG 31 Cb 0.17 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2ba3 h ARG 31 CO -0.02 -0.08 0.12 0.87 -1.51 0.00 0.00 179.97 179.35 2ba3 h LYS 32 N -0.39 0.25 -0.24 0.20 6.56 -0.83 -0.86 116.57 121.26 2ba3 h LYS 32 Ca -0.03 -0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.43 2ba3 h LYS 32 Cb 0.30 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.89 2ba3 h LYS 32 CO 0.04 0.17 -0.33 0.87 -2.06 0.00 0.00 179.45 178.14 2ba3 h LYS 33 N 0.26 0.51 0.24 3.15 1.57 -1.14 0.23 116.57 121.39 2ba3 h LYS 33 Ca 0.14 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2ba3 h LYS 33 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2ba3 h LYS 33 CO -0.13 0.78 -0.11 0.00 -0.57 0.00 0.00 179.45 179.42 2ba3 h ALA 34 N 1.21 -0.32 -0.77 3.86 0.00 -0.14 0.18 119.26 123.28 2ba3 h ALA 34 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ba3 h ALA 34 Cb 0.79 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2ba3 h ALA 34 CO 0.06 -0.66 0.36 1.49 0.00 0.00 0.00 179.25 180.50 2ba3 h GLU 35 N -0.36 1.11 -0.46 0.00 4.81 -1.01 -0.10 114.58 118.57 2ba3 h GLU 35 Ca -0.03 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 2ba3 h GLU 35 Cb 0.28 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2ba3 h GLU 35 CO 0.05 0.86 0.01 0.22 -0.73 0.00 0.00 179.01 179.43 2ba3 h ASP 36 N 1.10 0.78 -0.24 1.04 1.82 -0.67 -2.31 116.42 117.94 2ba3 h ASP 36 Ca 0.26 -0.30 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 2ba3 h ASP 36 Cb 0.13 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 2ba3 h ASP 36 CO -0.03 0.89 0.11 -1.28 -1.61 0.00 0.00 179.24 177.32 2ba3 h SER 37 N 0.65 0.37 -0.36 2.28 0.87 -0.10 -3.46 113.55 113.80 2ba3 h SER 37 Ca 0.13 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2ba3 h SER 37 Cb 0.48 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2ba3 h SER 37 CO 0.02 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 2ba3 n GLY 38 N -1.25 1.04 3.11 5.77 0.00 -0.24 -5.09 105.19 108.53 2ba3 n GLY 38 Ca 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.36 2.48 0.48 0.99 1.43 -0.22 -5.01 118.68 118.47 2ba3 s LEU 39 Ca 0.00 -0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 2ba3 s LEU 39 Cb 0.00 0.10 -0.07 0.00 0.03 0.00 0.00 46.19 46.25 2ba3 s LEU 39 CO 0.00 -0.53 0.90 0.28 0.23 0.00 0.00 176.35 177.23 2ba3 s THR 40 N -3.65 4.64 0.31 5.49 -1.32 -1.26 -3.33 115.64 116.51 2ba3 s THR 40 Ca 0.07 0.97 0.07 0.00 -1.21 0.00 0.00 61.69 61.60 2ba3 s THR 40 Cb 0.06 -3.73 0.32 0.00 -1.51 0.00 0.00 72.50 67.64 2ba3 s THR 40 CO -0.08 -0.64 1.65 0.58 -2.21 0.00 0.00 174.62 173.92 2ba3 h VAL 41 N 0.93 0.29 0.11 5.08 2.07 -1.90 -0.28 116.25 122.56 2ba3 h VAL 41 Ca -0.47 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2ba3 h VAL 41 Cb 1.19 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2ba3 h VAL 41 CO 0.62 0.04 -0.11 0.77 0.02 0.00 0.00 177.57 178.92 2ba3 h SER 42 N 0.24 -0.27 -0.21 0.57 4.64 -1.99 -0.12 113.55 116.41 2ba3 h SER 42 Ca 0.63 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2ba3 h SER 42 Cb 1.35 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 2ba3 h SER 42 CO -0.65 -0.16 0.12 0.00 -0.87 0.00 0.00 176.83 175.27 2ba3 h ALA 43 N 0.63 0.27 -0.45 5.18 0.00 -1.51 -2.06 119.26 121.32 2ba3 h ALA 43 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2ba3 h ALA 43 Cb 0.22 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2ba3 h ALA 43 CO -0.02 -0.22 0.14 -0.92 0.00 0.00 0.00 179.25 178.23 2ba3 h TYR 44 N 0.24 0.24 0.26 0.00 3.20 -0.94 -0.19 116.97 119.79 2ba3 h TYR 44 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2ba3 h TYR 44 Cb 0.04 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2ba3 h TYR 44 CO -0.04 0.07 -0.17 0.82 -1.64 0.00 0.00 178.16 177.19 2ba3 h ILE 45 N 0.30 0.00 -0.94 1.81 1.08 -0.81 -0.51 117.51 118.44 2ba3 h ILE 45 Ca 0.22 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.81 2ba3 h ILE 45 Cb 0.24 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.90 2ba3 h ILE 45 CO -0.24 0.00 0.56 0.08 -0.69 0.00 0.00 178.15 177.86 2ba3 h ARG 46 N -0.41 0.86 -0.21 2.37 0.11 -1.30 -0.48 114.38 115.31 2ba3 h ARG 46 Ca -0.04 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 59.92 2ba3 h ARG 46 Cb 0.34 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 2ba3 h ARG 46 CO 0.03 0.57 -0.15 -0.97 0.10 0.00 0.00 179.97 179.55 2ba3 h ASN 47 N 0.89 0.50 -0.08 0.08 -1.24 -0.96 -2.71 115.58 112.05 2ba3 h ASN 47 Ca 0.47 -0.44 -0.06 0.00 0.71 0.00 0.00 56.30 56.98 2ba3 h ASN 47 Cb 0.49 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 2ba3 h ASN 47 CO -0.28 0.83 -0.10 0.00 -1.29 0.00 0.00 177.43 176.59 2ba3 h ALA 48 N 0.68 1.38 0.00 1.57 0.00 -0.73 -2.01 119.26 120.14 2ba3 h ALA 48 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ba3 h ALA 48 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ba3 h ALA 48 CO 0.04 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.72 2ba3 n ALA 49 N -2.48 1.84 -0.13 0.00 0.00 -0.22 -3.46 120.51 116.06 2ba3 n ALA 49 Ca 0.00 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 2ba3 n ALA 49 Cb 0.29 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.18 2.89 -0.10 0.00 4.77 -0.93 -5.06 117.00 116.40 2ba3 n LEU 50 Ca 0.03 -0.10 0.16 0.00 -0.03 0.00 0.00 56.01 56.07 2ba3 n LEU 50 Cb 0.28 -0.88 0.87 0.00 -2.33 0.00 0.00 43.42 41.36 2ba3 n LEU 50 CO 0.22 0.90 1.06 0.59 -1.33 0.00 0.00 177.39 178.83