#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 0.00 -0.82 6.43 5.75 -1.26 -2.27 116.55 124.38 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 -1.73 0.35 -0.29 -1.12 7.64 -1.26 -4.53 113.62 112.68 2ba3 n SER 3 Ca 0.00 -0.31 0.34 0.00 1.01 0.00 0.00 58.87 59.91 2ba3 n SER 3 Cb 0.00 -0.08 0.74 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.70 3.06 -0.99 -0.43 0.00 -1.87 -1.80 119.26 118.92 2ba3 h ALA 4 Ca 0.00 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.08 2ba3 h ALA 4 Cb 0.13 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 2ba3 h ALA 4 CO 0.00 -1.40 0.58 -0.39 0.00 0.00 0.00 179.25 178.04 2ba3 h VAL 5 N 0.00 0.64 0.00 0.00 -1.51 -1.80 -2.00 116.25 111.58 2ba3 h VAL 5 Ca 0.53 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 2ba3 h VAL 5 Cb 2.18 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2ba3 h VAL 5 CO -0.01 0.12 0.00 0.54 -1.23 0.00 0.00 177.57 177.00 2ba3 n ARG 6 N -4.83 0.05 0.00 5.19 1.74 -0.68 -1.91 116.66 116.23 2ba3 n ARG 6 Ca 0.24 0.17 0.01 0.00 -0.77 0.00 0.00 57.85 57.49 2ba3 n ARG 6 Cb 0.62 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 2ba3 n ARG 6 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2ba3 n LYS 7 N -1.18 1.55 0.00 5.56 -0.00 -0.75 -4.99 118.16 118.35 2ba3 n LYS 7 Ca 0.01 -0.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.91 2ba3 n LYS 7 Cb 0.02 -0.89 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 2ba3 n LYS 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2ba3 n LYS 8 N -0.26 0.00 -4.00 -1.58 4.81 -0.80 -5.18 118.16 111.14 2ba3 n LYS 8 Ca 0.01 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.36 2ba3 n LYS 8 Cb 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.03 2ba3 n LYS 8 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2ba3 s SER 9 N 0.00 -0.08 0.31 3.14 1.04 -1.20 -4.55 113.70 112.37 2ba3 s SER 9 Ca 0.00 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.51 2ba3 s SER 9 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 2ba3 s SER 9 CO 0.00 -1.14 0.48 -1.83 0.98 0.00 0.00 173.24 171.73 2ba3 s GLU 10 N -4.01 3.42 -0.32 4.02 1.03 -1.26 -5.09 118.70 116.50 2ba3 s GLU 10 Ca 0.23 -0.54 -0.04 0.00 0.03 0.00 0.00 54.97 54.65 2ba3 s GLU 10 Cb -0.01 -2.75 0.04 0.00 -0.80 0.00 0.00 34.13 30.62 2ba3 s GLU 10 CO 0.09 0.22 0.05 0.54 -1.33 0.00 0.00 175.26 174.82 2ba3 s VAL 11 N -2.20 3.36 -0.22 1.83 0.11 -1.26 -5.05 120.40 116.96 2ba3 s VAL 11 Ca 0.39 -1.24 -0.29 0.00 -2.93 0.00 0.00 61.98 57.90 2ba3 s VAL 11 Cb -0.09 -2.90 -0.06 0.00 -1.53 0.00 0.00 36.38 31.79 2ba3 s VAL 11 CO 0.33 -0.12 2.20 -2.11 -3.33 0.00 0.00 175.10 172.07 2ba3 n ARG 12 N 4.71 1.88 -2.45 1.54 1.85 -1.26 -4.89 116.66 118.05 2ba3 n ARG 12 Ca -0.13 0.53 -0.39 0.00 -1.00 0.00 0.00 57.85 56.87 2ba3 n ARG 12 Cb 0.44 -3.10 -0.02 0.00 -1.05 0.00 0.00 32.46 28.73 2ba3 n ARG 12 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2ba3 s GLN 13 N 6.19 3.49 0.28 2.89 -0.21 -1.26 -4.80 119.66 126.25 2ba3 s GLN 13 Ca 1.01 -1.36 0.23 0.00 0.02 0.00 0.00 55.36 55.27 2ba3 s GLN 13 Cb -0.43 -5.38 1.05 0.00 1.00 0.00 0.00 33.01 29.26 2ba3 s GLN 13 CO 0.38 -2.57 1.69 0.36 -2.12 0.00 0.00 175.29 173.03 2ba3 n LYS 14 N 8.63 0.17 -1.48 2.91 2.85 -1.26 -4.68 118.16 125.30 2ba3 n LYS 14 Ca 0.41 0.51 -0.30 0.00 -1.05 0.00 0.00 58.31 57.88 2ba3 n LYS 14 Cb 0.48 -1.91 0.23 0.00 -0.65 0.00 0.00 35.03 33.18 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 -3.41 1.75 -0.11 0.58 -1.32 -1.26 -5.08 115.64 106.79 2ba3 s THR 15 Ca 0.02 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.53 2ba3 s THR 15 Cb 0.08 -2.73 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2ba3 s THR 15 CO 0.32 0.00 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.81 2ba3 s VAL 16 N -3.46 2.13 -0.35 5.08 1.01 -1.26 -5.08 120.40 118.47 2ba3 s VAL 16 Ca 0.74 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2ba3 s VAL 16 Cb -0.05 -1.82 0.10 0.00 0.00 0.00 0.00 36.38 34.61 2ba3 s VAL 16 CO 0.55 0.56 0.08 0.54 0.00 0.00 0.00 175.10 176.82 2ba3 s VAL 17 N 0.41 2.08 0.13 2.92 0.11 -1.26 -5.08 120.40 119.70 2ba3 s VAL 17 Ca -0.17 -2.29 -0.01 0.00 -2.93 0.00 0.00 61.98 56.58 2ba3 s VAL 17 Cb -0.18 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 2ba3 s VAL 17 CO 0.07 -0.63 0.06 -0.13 -3.33 0.00 0.00 175.10 171.14 2ba3 s ARG 18 N 0.90 0.91 0.08 1.54 0.52 -1.26 -5.16 118.95 116.47 2ba3 s ARG 18 Ca 0.11 -1.41 0.05 0.00 -0.52 0.00 0.00 55.73 53.97 2ba3 s ARG 18 Cb -0.19 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 2ba3 s ARG 18 CO -0.10 -0.26 -0.04 0.95 0.02 0.00 0.00 175.30 175.87 2ba3 s THR 19 N -4.03 3.76 -0.18 0.02 -4.23 -1.26 -5.12 115.64 104.60 2ba3 s THR 19 Ca 0.22 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 2ba3 s THR 19 Cb 0.07 -2.75 0.08 0.00 1.34 0.00 0.00 72.50 71.25 2ba3 s THR 19 CO 0.01 0.17 0.22 -0.76 -0.54 0.00 0.00 174.62 173.72 2ba3 s LEU 20 N -2.09 -0.13 0.35 4.79 1.43 -1.26 -5.15 118.68 116.62 2ba3 s LEU 20 Ca 0.23 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 2ba3 s LEU 20 Cb -0.11 0.40 -0.08 0.00 0.03 0.00 0.00 46.19 46.43 2ba3 s LEU 20 CO 0.15 -0.30 0.73 -0.13 0.23 0.00 0.00 176.35 177.03 2ba3 s ARG 21 N 2.33 3.88 -0.01 1.70 0.52 -1.26 -5.10 118.95 121.02 2ba3 s ARG 21 Ca 0.06 0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.84 2ba3 s ARG 21 Cb -0.15 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.88 2ba3 s ARG 21 CO -0.11 0.08 -0.09 -0.06 0.02 0.00 0.00 175.30 175.14 2ba3 s PHE 22 N -2.14 0.84 1.16 -0.53 0.40 -1.26 -5.12 117.98 111.32 2ba3 s PHE 22 Ca 0.52 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.53 2ba3 s PHE 22 Cb -0.10 -0.54 0.26 0.00 0.51 0.00 0.00 43.02 43.15 2ba3 s PHE 22 CO 0.24 -0.01 1.06 -1.12 0.70 0.00 0.00 175.22 176.08 2ba3 s SER 23 N -0.23 1.23 0.18 1.36 0.01 -1.26 -4.69 113.70 110.30 2ba3 s SER 23 Ca 0.04 1.05 -0.11 0.00 1.31 0.00 0.00 55.95 58.23 2ba3 s SER 23 Cb -0.04 -1.60 0.08 0.00 0.21 0.00 0.00 66.02 64.68 2ba3 s SER 23 CO -0.00 -3.98 1.73 1.55 0.41 0.00 0.00 173.24 172.94 2ba3 h PRO 24 N -2.47 0.92 -0.56 12.44 0.13 -2.01 -0.73 132.00 139.72 2ba3 h PRO 24 Ca -0.53 -0.18 -0.11 0.00 -0.87 0.00 0.00 66.00 64.31 2ba3 h PRO 24 Cb 1.33 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2ba3 h PRO 24 CO 0.46 0.79 -0.10 0.28 -0.23 0.00 0.00 178.00 179.21 2ba3 h VAL 25 N 0.86 1.27 -0.36 1.56 2.07 -1.99 -2.38 116.25 117.27 2ba3 h VAL 25 Ca 0.20 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 2ba3 h VAL 25 Cb 0.23 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2ba3 h VAL 25 CO -0.01 0.45 -0.00 -0.33 0.02 0.00 0.00 177.57 177.69 2ba3 h GLU 26 N 0.93 0.63 -0.08 1.57 4.39 -1.86 -2.22 114.58 117.94 2ba3 h GLU 26 Ca 0.15 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2ba3 h GLU 26 Cb 0.67 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2ba3 h GLU 26 CO 0.05 0.75 0.04 0.22 -1.16 0.00 0.00 179.01 178.91 2ba3 h ASP 27 N 0.44 0.10 -0.77 1.42 3.58 -1.11 -1.33 116.42 118.76 2ba3 h ASP 27 Ca 0.10 -0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.58 2ba3 h ASP 27 Cb 0.46 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.40 2ba3 h ASP 27 CO 0.02 0.17 0.35 -0.08 -2.88 0.00 0.00 179.24 176.82 2ba3 h GLU 28 N 0.03 0.52 0.35 0.28 4.81 -1.31 0.41 114.58 119.66 2ba3 h GLU 28 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2ba3 h GLU 28 Cb 0.09 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2ba3 h GLU 28 CO -0.00 0.34 -0.17 1.15 -0.73 0.00 0.00 179.01 179.60 2ba3 h THR 29 N 0.53 0.63 0.00 0.32 2.02 -1.12 -0.80 112.91 114.50 2ba3 h THR 29 Ca 0.41 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2ba3 h THR 29 Cb 0.56 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2ba3 h THR 29 CO -0.36 0.09 -0.09 0.40 0.37 0.00 0.00 175.52 175.94 2ba3 h ILE 30 N -0.77 0.62 0.06 3.11 2.04 -0.71 0.15 117.51 122.01 2ba3 h ILE 30 Ca -0.05 -0.37 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 2ba3 h ILE 30 Cb 0.51 1.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2ba3 h ILE 30 CO 0.08 0.09 -0.57 -0.09 0.00 0.00 0.00 178.15 177.65 2ba3 h ARG 31 N 0.00 0.29 -0.13 2.37 2.43 -0.11 -3.00 114.38 116.23 2ba3 h ARG 31 Ca -0.00 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 58.75 2ba3 h ARG 31 Cb 0.22 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2ba3 h ARG 31 CO 0.01 1.12 -0.07 0.87 -1.51 0.00 0.00 179.97 180.39 2ba3 h LYS 32 N -0.36 0.27 -0.19 0.20 6.56 -0.55 -1.92 116.57 120.59 2ba3 h LYS 32 Ca -0.09 -0.12 -0.10 0.00 -1.06 0.00 0.00 60.65 59.28 2ba3 h LYS 32 Cb 1.36 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 33.00 2ba3 h LYS 32 CO 0.11 0.61 -0.32 -0.22 -2.06 0.00 0.00 179.45 177.57 2ba3 h LYS 33 N -0.08 0.37 0.32 3.15 1.63 -1.13 -0.56 116.57 120.28 2ba3 h LYS 33 Ca 0.03 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 2ba3 h LYS 33 Cb 0.53 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2ba3 h LYS 33 CO 0.02 0.66 -0.15 0.00 -3.45 0.00 0.00 179.45 176.52 2ba3 h ALA 34 N 1.34 -0.43 -1.00 5.00 0.00 -1.55 -1.30 119.26 121.32 2ba3 h ALA 34 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2ba3 h ALA 34 Cb 0.73 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2ba3 h ALA 34 CO 0.06 -0.56 0.65 1.49 0.00 0.00 0.00 179.25 180.89 2ba3 h GLU 35 N -0.79 1.32 -0.61 0.00 4.81 -1.30 -0.81 114.58 117.20 2ba3 h GLU 35 Ca -0.04 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2ba3 h GLU 35 Cb 0.51 -0.30 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2ba3 h GLU 35 CO 0.07 0.88 0.12 0.22 -0.73 0.00 0.00 179.01 179.57 2ba3 h ASP 36 N 1.36 0.95 0.89 1.04 3.58 -1.07 -2.67 116.42 120.50 2ba3 h ASP 36 Ca 0.37 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2ba3 h ASP 36 Cb -0.14 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.65 2ba3 h ASP 36 CO -0.08 0.96 0.00 -1.20 -2.88 0.00 0.00 179.24 176.04 2ba3 n SER 37 N -4.31 0.00 -0.14 2.28 7.64 -0.50 -4.92 113.62 113.67 2ba3 n SER 37 Ca 0.03 0.36 -0.02 0.00 1.01 0.00 0.00 58.87 60.25 2ba3 n SER 37 Cb 0.26 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.00 2ba3 n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ba3 n GLY 38 N 1.39 0.52 3.20 0.23 0.00 -0.37 -5.01 105.19 105.14 2ba3 n GLY 38 Ca 0.08 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.41 2.98 0.86 0.99 1.43 -0.81 -5.02 118.68 118.70 2ba3 s LEU 39 Ca 0.00 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.17 2ba3 s LEU 39 Cb 0.00 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.61 2ba3 s LEU 39 CO 0.00 -0.09 0.59 1.07 0.23 0.00 0.00 176.35 178.15 2ba3 n THR 40 N 4.67 0.88 -0.30 5.49 5.66 -1.26 -4.11 114.28 125.30 2ba3 n THR 40 Ca -0.17 -0.25 0.14 0.00 -3.05 0.00 0.00 64.05 60.72 2ba3 n THR 40 Cb 0.48 -0.76 0.31 0.00 -1.55 0.00 0.00 70.33 68.81 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 -1.10 0.33 0.02 1.08 2.07 -1.89 0.66 116.25 117.41 2ba3 h VAL 41 Ca -0.44 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2ba3 h VAL 41 Cb 1.30 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2ba3 h VAL 41 CO 0.39 0.04 -0.02 0.77 0.02 0.00 0.00 177.57 178.77 2ba3 h SER 42 N 0.24 -0.06 -0.59 0.57 4.64 -1.97 0.02 113.55 116.40 2ba3 h SER 42 Ca 0.57 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.86 2ba3 h SER 42 Cb 1.17 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2ba3 h SER 42 CO -0.64 -0.03 0.22 0.00 -0.87 0.00 0.00 176.83 175.50 2ba3 h ALA 43 N 0.93 0.76 0.17 5.18 0.00 -1.45 -2.36 119.26 122.50 2ba3 h ALA 43 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2ba3 h ALA 43 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2ba3 h ALA 43 CO -0.01 0.40 -0.19 -0.92 0.00 0.00 0.00 179.25 178.53 2ba3 h TYR 44 N 0.82 -0.49 0.05 0.00 3.20 -0.68 -0.59 116.97 119.28 2ba3 h TYR 44 Ca 0.19 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.09 2ba3 h TYR 44 Cb 0.23 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 2ba3 h TYR 44 CO 0.01 -0.28 -0.29 0.82 -1.64 0.00 0.00 178.16 176.78 2ba3 h ILE 45 N -0.40 0.37 0.08 1.81 1.08 -0.85 0.60 117.51 120.19 2ba3 h ILE 45 Ca 0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2ba3 h ILE 45 Cb 0.38 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2ba3 h ILE 45 CO -0.06 0.00 -0.04 0.08 -0.69 0.00 0.00 178.15 177.44 2ba3 h ARG 46 N -0.47 -0.11 0.43 2.37 0.11 -1.35 -1.81 114.38 113.55 2ba3 h ARG 46 Ca 0.05 0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 2ba3 h ARG 46 Cb 0.53 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 2ba3 h ARG 46 CO -0.21 -0.04 -0.44 -0.97 0.10 0.00 0.00 179.97 178.41 2ba3 h ASN 47 N -0.15 -1.20 -0.43 0.08 -1.24 -0.90 -1.75 115.58 109.99 2ba3 h ASN 47 Ca -0.01 0.10 0.08 0.00 0.71 0.00 0.00 56.30 57.18 2ba3 h ASN 47 Cb 0.12 0.40 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 2ba3 h ASN 47 CO 0.02 -0.59 0.29 0.00 -1.29 0.00 0.00 177.43 175.86 2ba3 h ALA 48 N -0.59 2.10 0.08 1.57 0.00 -0.90 -1.52 119.26 120.00 2ba3 h ALA 48 Ca -0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2ba3 h ALA 48 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2ba3 h ALA 48 CO -0.07 -0.20 -1.14 0.00 0.00 0.00 0.00 179.25 177.84 2ba3 h ALA 49 N 1.78 0.20 0.08 0.00 0.00 -0.94 -3.34 119.26 117.04 2ba3 h ALA 49 Ca 0.20 -0.89 -0.27 0.00 0.00 0.00 0.00 54.91 53.95 2ba3 h ALA 49 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ba3 h ALA 49 CO -0.04 1.06 -1.35 -0.07 0.00 0.00 0.00 179.25 178.85 2ba3 h LEU 50 N 0.05 0.25 0.00 0.00 3.38 -0.93 -3.51 115.31 114.55 2ba3 h LEU 50 Ca -0.09 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2ba3 h LEU 50 Cb 1.88 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2ba3 h LEU 50 CO 0.18 1.26 0.00 0.59 0.09 0.00 0.00 178.44 180.56