#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 -1.14 -0.00 -3.46 -0.08 -1.26 -5.02 116.55 105.59 2ba3 n ASP 2 Ca 0.00 -2.60 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 2ba3 n ASP 2 Cb 0.00 0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.52 2ba3 n ASP 2 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2ba3 n SER 3 N 2.54 0.00 -4.56 1.67 7.64 -1.26 -4.83 113.62 114.82 2ba3 n SER 3 Ca 0.25 -0.72 -0.39 0.00 1.01 0.00 0.00 58.87 59.01 2ba3 n SER 3 Cb 0.51 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2ba3 n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ba3 s ALA 4 N -1.99 2.24 -1.10 -0.43 0.00 -1.26 -4.90 121.76 114.32 2ba3 s ALA 4 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 2ba3 s ALA 4 Cb 0.00 -4.23 0.03 0.00 0.00 0.00 0.00 23.12 18.91 2ba3 s ALA 4 CO 0.00 -3.67 1.66 0.08 0.00 0.00 0.00 175.76 173.83 2ba3 s VAL 5 N 9.21 3.86 -0.04 0.00 1.01 -1.26 -4.77 120.40 128.41 2ba3 s VAL 5 Ca 0.78 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 2ba3 s VAL 5 Cb -0.17 -4.88 -0.27 0.00 0.00 0.00 0.00 36.38 31.06 2ba3 s VAL 5 CO 0.26 -1.71 0.96 0.08 0.00 0.00 0.00 175.10 174.69 2ba3 h ARG 6 N 9.40 0.28 -6.04 2.72 0.11 -1.98 -3.41 114.38 115.45 2ba3 h ARG 6 Ca 0.26 -0.39 -0.57 0.00 0.10 0.00 0.00 59.98 59.38 2ba3 h ARG 6 Cb 0.96 0.13 -0.10 0.00 1.11 0.00 0.00 29.97 32.07 2ba3 h ARG 6 CO 1.38 1.13 0.87 0.15 0.10 0.00 0.00 179.97 183.60 2ba3 s LYS 7 N -2.74 3.18 -0.04 0.08 3.01 -1.26 -4.89 119.74 117.09 2ba3 s LYS 7 Ca -0.14 -0.42 -0.00 0.00 -1.01 0.00 0.00 55.97 54.39 2ba3 s LYS 7 Cb 0.01 -4.18 -0.00 0.00 -1.01 0.00 0.00 37.83 32.65 2ba3 s LYS 7 CO 0.80 -2.00 -0.01 0.87 0.51 0.00 0.00 175.35 175.53 2ba3 h LYS 8 N 9.83 0.00 -3.29 1.68 6.56 -2.01 -3.49 116.57 125.85 2ba3 h LYS 8 Ca -0.28 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.28 2ba3 h LYS 8 Cb 1.06 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.60 2ba3 h LYS 8 CO 1.24 0.00 0.02 -1.54 -2.06 0.00 0.00 179.45 177.11 2ba3 s SER 9 N -3.93 -0.30 0.00 0.86 1.04 -1.26 -5.09 113.70 105.02 2ba3 s SER 9 Ca -0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2ba3 s SER 9 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2ba3 s SER 9 CO 0.01 -0.97 0.58 -1.84 0.98 0.00 0.00 173.24 172.00 2ba3 n GLU 10 N -0.31 0.32 0.06 4.02 0.28 -1.26 -4.78 120.64 118.97 2ba3 n GLU 10 Ca -0.13 -0.72 -0.13 0.00 -0.16 0.00 0.00 57.16 56.02 2ba3 n GLU 10 Cb 0.63 -0.91 -0.09 0.00 1.43 0.00 0.00 31.44 32.51 2ba3 n GLU 10 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2ba3 h VAL 11 N 0.32 1.07 -3.87 3.84 2.07 -2.06 -3.45 116.25 114.17 2ba3 h VAL 11 Ca 0.00 -0.73 -0.47 0.00 0.82 0.00 0.00 66.70 66.32 2ba3 h VAL 11 Cb 0.27 1.53 0.17 0.00 -1.52 0.00 0.00 31.29 31.74 2ba3 h VAL 11 CO 0.00 0.18 0.18 -0.13 0.02 0.00 0.00 177.57 177.82 2ba3 s ARG 12 N -4.77 0.53 0.12 1.57 0.52 -1.26 -5.01 118.95 110.66 2ba3 s ARG 12 Ca -0.15 0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 55.59 2ba3 s ARG 12 Cb 0.03 -1.73 -0.07 0.00 0.52 0.00 0.00 34.95 33.69 2ba3 s ARG 12 CO 0.63 -2.72 0.69 -0.65 0.02 0.00 0.00 175.30 173.27 2ba3 s GLN 13 N -4.84 4.42 0.00 3.54 -0.21 -1.26 -4.91 119.66 116.39 2ba3 s GLN 13 Ca 0.65 0.98 0.00 0.00 0.02 0.00 0.00 55.36 57.01 2ba3 s GLN 13 Cb -0.20 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.56 2ba3 s GLN 13 CO 0.59 0.59 0.00 0.36 -2.12 0.00 0.00 175.29 174.70 2ba3 n LYS 14 N 1.70 2.12 -0.97 2.91 2.85 -1.26 -5.07 118.16 120.43 2ba3 n LYS 14 Ca -0.07 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.96 2ba3 n LYS 14 Cb 0.50 -0.80 0.18 0.00 -0.65 0.00 0.00 35.03 34.26 2ba3 n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2ba3 n THR 15 N -1.46 0.00 -4.33 0.58 5.66 -1.26 -5.09 114.28 108.37 2ba3 n THR 15 Ca 0.00 -0.47 -0.19 0.00 -3.05 0.00 0.00 64.05 60.34 2ba3 n THR 15 Cb 0.30 -1.31 -0.14 0.00 -1.55 0.00 0.00 70.33 67.63 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 -2.69 0.92 -0.26 1.08 1.01 -1.26 -5.12 120.40 114.08 2ba3 s VAL 16 Ca 0.54 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2ba3 s VAL 16 Cb -0.04 -0.83 0.09 0.00 0.00 0.00 0.00 36.38 35.59 2ba3 s VAL 16 CO 0.40 0.03 0.09 0.54 0.00 0.00 0.00 175.10 176.16 2ba3 s VAL 17 N -0.70 0.43 0.03 2.92 0.11 -1.26 -5.12 120.40 116.81 2ba3 s VAL 17 Ca 0.01 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2ba3 s VAL 17 Cb -0.07 -1.21 -0.02 0.00 -1.53 0.00 0.00 36.38 33.55 2ba3 s VAL 17 CO 0.01 -0.53 -0.04 -0.60 -3.33 0.00 0.00 175.10 170.60 2ba3 s ARG 18 N 1.86 0.38 -0.02 1.54 3.52 -1.26 -5.16 118.95 119.81 2ba3 s ARG 18 Ca 0.06 -0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 2ba3 s ARG 18 Cb -0.17 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 2ba3 s ARG 18 CO -0.23 -0.04 0.11 0.99 -0.81 0.00 0.00 175.30 175.32 2ba3 s THR 19 N -1.71 4.95 0.01 4.11 2.01 -1.26 -5.12 115.64 118.63 2ba3 s THR 19 Ca -0.12 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.63 2ba3 s THR 19 Cb -0.08 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2ba3 s THR 19 CO -0.02 0.39 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 2ba3 s LEU 20 N -1.64 2.08 -0.08 4.42 1.43 -1.26 -5.14 118.68 118.48 2ba3 s LEU 20 Ca 0.22 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2ba3 s LEU 20 Cb -0.12 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 2ba3 s LEU 20 CO 0.13 0.05 0.11 -0.13 0.23 0.00 0.00 176.35 176.74 2ba3 s ARG 21 N -0.54 3.28 0.00 1.70 1.81 -1.26 -5.12 118.95 118.82 2ba3 s ARG 21 Ca 0.01 -0.27 -0.01 0.00 -1.72 0.00 0.00 55.73 53.75 2ba3 s ARG 21 Cb -0.05 -3.04 -0.00 0.00 -0.45 0.00 0.00 34.95 31.41 2ba3 s ARG 21 CO 0.00 0.73 0.01 -0.06 -0.68 0.00 0.00 175.30 175.30 2ba3 s PHE 22 N -1.06 0.07 0.74 -0.53 0.40 -1.26 -5.14 117.98 111.21 2ba3 s PHE 22 Ca 0.17 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 2ba3 s PHE 22 Cb -0.12 -0.06 0.04 0.00 0.51 0.00 0.00 43.02 43.39 2ba3 s PHE 22 CO 0.07 -0.08 1.11 -1.12 0.70 0.00 0.00 175.22 175.90 2ba3 s SER 23 N -0.51 5.08 0.56 1.36 0.01 -1.26 -4.81 113.70 114.12 2ba3 s SER 23 Ca -0.06 1.13 0.34 0.00 1.31 0.00 0.00 55.95 58.67 2ba3 s SER 23 Cb -0.04 -1.88 1.55 0.00 0.21 0.00 0.00 66.02 65.87 2ba3 s SER 23 CO -0.00 -1.57 2.06 1.55 0.41 0.00 0.00 173.24 175.68 2ba3 h PRO 24 N -0.82 0.00 0.00 12.44 0.13 -2.02 0.65 132.00 142.39 2ba3 h PRO 24 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2ba3 h PRO 24 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ba3 h PRO 24 CO 0.63 0.04 -0.37 0.28 -0.23 0.00 0.00 178.00 178.35 2ba3 h VAL 25 N 0.00 0.13 0.03 1.56 2.07 -2.00 -2.46 116.25 115.58 2ba3 h VAL 25 Ca -0.00 -1.19 -0.32 0.00 0.82 0.00 0.00 66.70 66.01 2ba3 h VAL 25 Cb 0.41 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 2ba3 h VAL 25 CO 0.01 0.07 -1.78 -0.62 0.02 0.00 0.00 177.57 175.27 2ba3 n GLU 26 N -3.00 0.63 0.06 1.57 1.02 -0.77 -4.25 120.64 115.90 2ba3 n GLU 26 Ca 0.02 0.41 -0.11 0.00 -0.02 0.00 0.00 57.16 57.46 2ba3 n GLU 26 Cb 0.57 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.27 2ba3 n GLU 26 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2ba3 h ASP 27 N -0.64 -0.52 -0.81 1.62 3.58 -1.00 -0.55 116.42 118.09 2ba3 h ASP 27 Ca -0.45 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 2ba3 h ASP 27 Cb 1.60 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 42.82 2ba3 h ASP 27 CO -0.16 -0.24 0.48 -0.08 -2.88 0.00 0.00 179.24 176.36 2ba3 h GLU 28 N -0.29 1.12 0.23 0.28 4.81 -1.67 0.69 114.58 119.75 2ba3 h GLU 28 Ca 0.06 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2ba3 h GLU 28 Cb 0.36 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2ba3 h GLU 28 CO -0.17 0.79 -0.11 1.15 -0.73 0.00 0.00 179.01 179.94 2ba3 h THR 29 N 1.13 0.84 -0.70 0.32 2.02 -1.65 -0.20 112.91 114.67 2ba3 h THR 29 Ca 0.29 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 67.05 2ba3 h THR 29 Cb -0.03 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 2ba3 h THR 29 CO -0.05 0.11 0.39 0.40 0.37 0.00 0.00 175.52 176.73 2ba3 h ILE 30 N -0.56 0.96 0.06 3.11 2.04 -0.79 0.11 117.51 122.44 2ba3 h ILE 30 Ca -0.03 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2ba3 h ILE 30 Cb 0.41 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2ba3 h ILE 30 CO 0.05 0.13 -0.03 -0.09 0.00 0.00 0.00 178.15 178.22 2ba3 h ARG 31 N 0.71 -0.07 -0.28 2.37 2.43 -0.75 1.00 114.38 119.78 2ba3 h ARG 31 Ca 0.32 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2ba3 h ARG 31 Cb 0.21 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2ba3 h ARG 31 CO -0.19 0.04 0.15 0.87 -1.51 0.00 0.00 179.97 179.33 2ba3 h LYS 32 N -0.17 0.40 -0.39 0.20 6.56 -0.52 -0.30 116.57 122.36 2ba3 h LYS 32 Ca -0.01 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.50 2ba3 h LYS 32 Cb 0.14 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 2ba3 h LYS 32 CO 0.01 0.36 0.13 0.87 -2.06 0.00 0.00 179.45 178.77 2ba3 h LYS 33 N 0.34 0.59 -0.34 3.15 1.79 -0.93 -0.17 116.57 121.01 2ba3 h LYS 33 Ca 0.10 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2ba3 h LYS 33 Cb 0.08 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2ba3 h LYS 33 CO -0.01 0.59 0.21 0.00 -1.08 0.00 0.00 179.45 179.15 2ba3 h ALA 34 N 0.98 0.43 -0.54 3.86 0.00 -0.66 0.84 119.26 124.17 2ba3 h ALA 34 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2ba3 h ALA 34 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ba3 h ALA 34 CO -0.01 -0.09 -0.11 1.49 0.00 0.00 0.00 179.25 180.54 2ba3 h GLU 35 N 0.44 1.01 -0.30 0.00 4.81 -0.93 -1.59 114.58 118.02 2ba3 h GLU 35 Ca 0.12 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 2ba3 h GLU 35 Cb -0.01 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2ba3 h GLU 35 CO -0.02 1.06 -0.09 0.22 -0.73 0.00 0.00 179.01 179.45 2ba3 h ASP 36 N 0.90 0.60 0.82 1.04 3.58 -0.76 -2.94 116.42 119.67 2ba3 h ASP 36 Ca 0.14 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2ba3 h ASP 36 Cb 0.67 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2ba3 h ASP 36 CO 0.05 0.83 0.00 -1.28 -2.88 0.00 0.00 179.24 175.96 2ba3 h SER 37 N 0.36 0.00 -0.52 2.28 0.87 -0.76 -3.47 113.55 112.31 2ba3 h SER 37 Ca 0.08 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2ba3 h SER 37 Cb 0.58 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2ba3 h SER 37 CO 0.03 0.00 -0.11 0.61 -0.53 0.00 0.00 176.83 176.83 2ba3 n GLY 38 N -0.05 0.38 2.91 5.77 0.00 -0.67 -5.03 105.19 108.51 2ba3 n GLY 38 Ca 0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.28 1.87 0.77 0.99 1.43 -0.79 -5.05 118.68 116.61 2ba3 s LEU 39 Ca 0.00 -0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 2ba3 s LEU 39 Cb 0.00 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 2ba3 s LEU 39 CO 0.00 -0.19 0.57 1.07 0.23 0.00 0.00 176.35 178.03 2ba3 n THR 40 N 4.81 1.56 -0.32 5.49 5.66 -1.26 -4.29 114.28 125.93 2ba3 n THR 40 Ca -0.12 -0.35 0.16 0.00 -3.05 0.00 0.00 64.05 60.69 2ba3 n THR 40 Cb 0.47 -0.77 0.36 0.00 -1.55 0.00 0.00 70.33 68.84 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 -0.60 0.41 -0.09 1.08 2.07 -1.90 0.22 116.25 117.45 2ba3 h VAL 41 Ca -0.45 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2ba3 h VAL 41 Cb 1.33 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2ba3 h VAL 41 CO 0.42 0.07 0.03 0.77 0.02 0.00 0.00 177.57 178.87 2ba3 h SER 42 N 0.37 0.13 -0.39 0.57 4.64 -2.00 -1.01 113.55 115.86 2ba3 h SER 42 Ca 0.61 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 2ba3 h SER 42 Cb 1.25 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2ba3 h SER 42 CO -0.56 0.29 0.19 0.00 -0.87 0.00 0.00 176.83 175.88 2ba3 h ALA 43 N 0.84 0.50 -0.23 5.18 0.00 -1.41 -2.11 119.26 122.05 2ba3 h ALA 43 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2ba3 h ALA 43 Cb 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2ba3 h ALA 43 CO -0.00 0.05 -0.08 -0.92 0.00 0.00 0.00 179.25 178.30 2ba3 h TYR 44 N 0.49 -0.18 0.42 0.00 3.20 -0.54 0.53 116.97 120.88 2ba3 h TYR 44 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2ba3 h TYR 44 Cb 0.10 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2ba3 h TYR 44 CO -0.02 -0.13 -0.33 0.82 -1.64 0.00 0.00 178.16 176.87 2ba3 h ILE 45 N -0.04 0.00 -0.89 1.81 1.08 -0.99 -0.16 117.51 118.32 2ba3 h ILE 45 Ca 0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.68 2ba3 h ILE 45 Cb 0.21 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.89 2ba3 h ILE 45 CO -0.25 0.00 0.54 0.08 -0.69 0.00 0.00 178.15 177.82 2ba3 h ARG 46 N -0.72 0.88 0.34 2.37 0.11 -1.28 -0.68 114.38 115.39 2ba3 h ARG 46 Ca -0.06 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2ba3 h ARG 46 Cb 0.60 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2ba3 h ARG 46 CO 0.01 0.58 -0.16 -0.97 0.10 0.00 0.00 179.97 179.53 2ba3 h ASN 47 N 0.91 -0.39 -0.00 0.08 -1.24 -0.74 -2.52 115.58 111.68 2ba3 h ASN 47 Ca 0.42 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.38 2ba3 h ASN 47 Cb 0.35 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2ba3 h ASN 47 CO -0.23 -0.24 -0.10 0.00 -1.29 0.00 0.00 177.43 175.56 2ba3 h ALA 48 N 0.16 1.55 0.00 1.57 0.00 -0.67 -1.15 119.26 120.71 2ba3 h ALA 48 Ca -0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2ba3 h ALA 48 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2ba3 h ALA 48 CO 0.08 0.33 -0.57 0.00 0.00 0.00 0.00 179.25 179.08 2ba3 h ALA 49 N 1.67 0.93 0.05 0.00 0.00 -0.98 -3.28 119.26 117.66 2ba3 h ALA 49 Ca 0.05 -0.52 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 2ba3 h ALA 49 Cb 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2ba3 h ALA 49 CO 0.02 0.71 -1.97 1.28 0.00 0.00 0.00 179.25 179.29 2ba3 n LEU 50 N -3.68 1.65 -0.72 0.00 4.77 -0.96 -5.09 117.00 112.96 2ba3 n LEU 50 Ca -0.01 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2ba3 n LEU 50 Cb 0.61 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 2ba3 n LEU 50 CO 0.41 0.63 0.54 0.59 -1.33 0.00 0.00 177.39 178.22