#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 5.18 -0.33 4.04 2.15 -1.26 -5.05 116.67 121.40 2ba3 s ASP 2 Ca 0.00 1.59 -0.00 0.00 0.43 0.00 0.00 52.55 54.57 2ba3 s ASP 2 Cb 0.00 -2.43 0.13 0.00 -0.30 0.00 0.00 42.92 40.32 2ba3 s ASP 2 CO 0.00 -1.57 0.24 -0.44 -0.17 0.00 0.00 175.17 173.24 2ba3 s SER 3 N -3.78 2.47 0.00 -0.34 0.01 -1.26 -5.04 113.70 105.76 2ba3 s SER 3 Ca 0.59 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2ba3 s SER 3 Cb -0.14 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2ba3 s SER 3 CO 0.55 -0.34 0.77 0.00 0.41 0.00 0.00 173.24 174.63 2ba3 n ALA 4 N 4.55 0.72 -1.77 1.44 0.00 -1.26 -4.71 120.51 119.48 2ba3 n ALA 4 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 2ba3 n ALA 4 Cb 0.41 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2ba3 n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ba3 s VAL 5 N -2.54 2.25 0.13 0.00 0.11 -1.26 -5.03 120.40 114.07 2ba3 s VAL 5 Ca 0.00 0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 59.23 2ba3 s VAL 5 Cb 0.00 -3.14 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 2ba3 s VAL 5 CO 0.00 0.04 0.17 0.00 -3.33 0.00 0.00 175.10 171.98 2ba3 s ARG 6 N -2.24 0.99 0.83 1.54 1.70 -1.26 -5.17 118.95 115.34 2ba3 s ARG 6 Ca 0.56 -1.23 -0.07 0.00 -0.47 0.00 0.00 55.73 54.52 2ba3 s ARG 6 Cb -0.43 0.31 0.16 0.00 -0.57 0.00 0.00 34.95 34.43 2ba3 s ARG 6 CO 0.56 -0.32 1.14 0.15 -1.08 0.00 0.00 175.30 175.75 2ba3 s LYS 7 N -3.97 1.19 0.34 3.89 3.01 -1.26 -5.12 119.74 117.81 2ba3 s LYS 7 Ca 0.17 -0.87 -0.06 0.00 -1.01 0.00 0.00 55.97 54.20 2ba3 s LYS 7 Cb 0.05 -2.13 0.02 0.00 -1.01 0.00 0.00 37.83 34.76 2ba3 s LYS 7 CO -0.02 -1.89 0.54 0.36 0.51 0.00 0.00 175.35 174.85 2ba3 n LYS 8 N -3.24 0.78 -4.39 1.68 2.85 -1.26 -5.17 118.16 109.41 2ba3 n LYS 8 Ca 0.16 -2.40 -0.21 0.00 -1.05 0.00 0.00 58.31 54.81 2ba3 n LYS 8 Cb 0.60 2.50 -0.16 0.00 -0.65 0.00 0.00 35.03 37.33 2ba3 n LYS 8 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2ba3 s SER 9 N -2.96 1.22 0.00 -5.58 1.04 -1.26 -5.02 113.70 101.14 2ba3 s SER 9 Ca 0.23 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2ba3 s SER 9 Cb -0.02 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.74 2ba3 s SER 9 CO 0.16 0.06 0.68 -1.84 0.98 0.00 0.00 173.24 173.28 2ba3 n GLU 10 N 3.37 0.86 -0.01 4.02 0.00 -1.26 -4.77 120.64 122.86 2ba3 n GLU 10 Ca -0.19 -0.89 -0.13 0.00 0.00 0.00 0.00 57.16 55.95 2ba3 n GLU 10 Cb 0.54 -0.92 -0.10 0.00 0.00 0.00 0.00 31.44 30.96 2ba3 n GLU 10 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2ba3 h VAL 11 N 0.31 1.35 -4.24 3.84 -1.51 -2.08 -3.46 116.25 110.46 2ba3 h VAL 11 Ca 0.00 -1.29 -0.51 0.00 -1.23 0.00 0.00 66.70 63.67 2ba3 h VAL 11 Cb 0.33 2.20 0.12 0.00 -2.13 0.00 0.00 31.29 31.80 2ba3 h VAL 11 CO 0.00 0.32 0.35 -0.60 -1.23 0.00 0.00 177.57 176.41 2ba3 s ARG 12 N -3.89 2.51 -1.34 5.19 3.52 -1.26 -4.92 118.95 118.75 2ba3 s ARG 12 Ca -0.16 1.35 -0.09 0.00 -0.13 0.00 0.00 55.73 56.70 2ba3 s ARG 12 Cb 0.01 -1.92 0.12 0.00 -1.56 0.00 0.00 34.95 31.60 2ba3 s ARG 12 CO 0.65 -1.47 2.14 0.00 -0.81 0.00 0.00 175.30 175.81 2ba3 n GLN 13 N -2.87 3.81 -0.22 5.12 10.64 -1.26 -4.67 117.38 127.93 2ba3 n GLN 13 Ca 0.10 -3.30 -0.08 0.00 -1.83 0.00 0.00 57.00 51.89 2ba3 n GLN 13 Cb 0.52 -2.87 0.03 0.00 -0.86 0.00 0.00 30.24 27.06 2ba3 n GLN 13 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 2ba3 h LYS 14 N 5.39 0.99 -7.06 2.61 2.10 -1.94 -3.43 116.57 115.24 2ba3 h LYS 14 Ca 0.54 -0.24 -0.53 0.00 -2.00 0.00 0.00 60.65 58.42 2ba3 h LYS 14 Cb 0.51 -0.13 0.10 0.00 -0.90 0.00 0.00 32.23 31.81 2ba3 h LYS 14 CO 1.63 0.90 0.50 -0.08 -2.00 0.00 0.00 179.45 180.40 2ba3 s THR 15 N -5.32 2.64 0.40 0.07 -1.32 -1.26 -5.00 115.64 105.85 2ba3 s THR 15 Ca -0.12 0.44 -0.22 0.00 -1.21 0.00 0.00 61.69 60.57 2ba3 s THR 15 Cb 0.13 -3.20 -0.11 0.00 -1.51 0.00 0.00 72.50 67.82 2ba3 s THR 15 CO 0.82 -0.05 0.94 0.54 -2.21 0.00 0.00 174.62 174.67 2ba3 s VAL 16 N -1.52 4.36 -0.16 5.08 0.11 -1.26 -5.06 120.40 121.95 2ba3 s VAL 16 Ca 0.73 1.54 -0.04 0.00 -2.93 0.00 0.00 61.98 61.28 2ba3 s VAL 16 Cb -0.32 -3.69 0.08 0.00 -1.53 0.00 0.00 36.38 30.92 2ba3 s VAL 16 CO 0.36 -0.22 0.21 0.54 -3.33 0.00 0.00 175.10 172.67 2ba3 s VAL 17 N -2.05 -0.31 0.33 2.04 0.11 -1.26 -5.14 120.40 114.11 2ba3 s VAL 17 Ca 0.59 0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.70 2ba3 s VAL 17 Cb -0.11 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2ba3 s VAL 17 CO 0.15 -0.07 0.40 -0.60 -3.33 0.00 0.00 175.10 171.65 2ba3 s ARG 18 N 2.33 1.81 -0.01 1.54 3.52 -1.26 -5.17 118.95 121.70 2ba3 s ARG 18 Ca 0.05 -1.80 0.05 0.00 -0.13 0.00 0.00 55.73 53.90 2ba3 s ARG 18 Cb -0.14 0.40 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 2ba3 s ARG 18 CO -0.10 -0.72 -0.15 0.99 -0.81 0.00 0.00 175.30 174.51 2ba3 s THR 19 N -3.28 1.19 0.40 4.11 2.01 -1.26 -5.16 115.64 113.65 2ba3 s THR 19 Ca 0.34 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.77 2ba3 s THR 19 Cb 0.01 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.45 2ba3 s THR 19 CO 0.21 0.34 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 2ba3 s LEU 20 N -0.32 2.84 -0.01 4.42 1.43 -1.26 -5.16 118.68 120.62 2ba3 s LEU 20 Ca 0.05 -1.34 0.01 0.00 -1.03 0.00 0.00 54.13 51.82 2ba3 s LEU 20 Cb -0.06 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.26 2ba3 s LEU 20 CO -0.00 -0.41 -0.02 -0.13 0.23 0.00 0.00 176.35 176.02 2ba3 s ARG 21 N -3.70 0.26 0.07 1.70 1.81 -1.26 -5.16 118.95 112.67 2ba3 s ARG 21 Ca 0.35 -0.03 0.03 0.00 -1.72 0.00 0.00 55.73 54.35 2ba3 s ARG 21 Cb 0.09 -0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 2ba3 s ARG 21 CO 0.18 -0.01 -0.10 -0.06 -0.68 0.00 0.00 175.30 174.63 2ba3 s PHE 22 N 0.35 0.93 0.95 -0.53 0.40 -1.26 -5.11 117.98 113.71 2ba3 s PHE 22 Ca -0.03 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 2ba3 s PHE 22 Cb -0.06 -0.53 0.16 0.00 0.51 0.00 0.00 43.02 43.11 2ba3 s PHE 22 CO -0.01 -0.03 1.09 -1.12 0.70 0.00 0.00 175.22 175.85 2ba3 s SER 23 N -2.02 2.96 0.14 1.36 0.01 -1.26 -4.72 113.70 110.18 2ba3 s SER 23 Ca -0.02 1.39 -0.18 0.00 1.31 0.00 0.00 55.95 58.45 2ba3 s SER 23 Cb -0.06 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.12 2ba3 s SER 23 CO 0.00 -2.94 1.73 1.55 0.41 0.00 0.00 173.24 173.99 2ba3 h PRO 24 N -1.76 0.16 -0.64 12.44 0.13 -2.01 -0.26 132.00 140.06 2ba3 h PRO 24 Ca -0.52 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2ba3 h PRO 24 Cb 1.30 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 2ba3 h PRO 24 CO 0.55 0.10 0.42 0.28 -0.23 0.00 0.00 178.00 179.13 2ba3 h VAL 25 N 0.16 1.16 -0.21 1.56 2.07 -1.98 -1.15 116.25 117.86 2ba3 h VAL 25 Ca 0.13 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2ba3 h VAL 25 Cb 0.13 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2ba3 h VAL 25 CO -0.17 0.16 -0.05 -0.33 0.02 0.00 0.00 177.57 177.20 2ba3 h GLU 26 N 0.86 0.41 -0.68 1.57 5.08 -1.80 -0.25 114.58 119.78 2ba3 h GLU 26 Ca 0.24 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2ba3 h GLU 26 Cb -0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2ba3 h GLU 26 CO -0.05 0.65 0.32 0.22 -1.00 0.00 0.00 179.01 179.16 2ba3 h ASP 27 N 0.14 0.89 -0.34 1.42 3.58 -0.91 -0.38 116.42 120.82 2ba3 h ASP 27 Ca 0.05 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 2ba3 h ASP 27 Cb 0.50 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2ba3 h ASP 27 CO 0.02 0.77 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.97 2ba3 h GLU 28 N 0.94 0.76 0.40 0.28 4.81 -1.15 0.15 114.58 120.78 2ba3 h GLU 28 Ca 0.23 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2ba3 h GLU 28 Cb 0.12 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2ba3 h GLU 28 CO -0.03 0.84 -0.19 1.15 -0.73 0.00 0.00 179.01 180.05 2ba3 h THR 29 N 0.69 0.58 -0.54 0.32 2.02 -0.49 -0.55 112.91 114.95 2ba3 h THR 29 Ca 0.12 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.99 2ba3 h THR 29 Cb 0.57 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2ba3 h THR 29 CO 0.04 0.07 0.25 0.40 0.37 0.00 0.00 175.52 176.65 2ba3 h ILE 30 N -0.76 0.92 -0.25 3.11 2.04 -0.95 -0.84 117.51 120.78 2ba3 h ILE 30 Ca -0.06 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2ba3 h ILE 30 Cb 0.52 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2ba3 h ILE 30 CO 0.09 0.09 0.16 -0.09 0.00 0.00 0.00 178.15 178.40 2ba3 h ARG 31 N 0.49 0.33 -0.10 2.37 2.43 -0.61 0.45 114.38 119.75 2ba3 h ARG 31 Ca 0.24 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2ba3 h ARG 31 Cb 0.19 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2ba3 h ARG 31 CO -0.19 0.22 0.03 0.87 -1.51 0.00 0.00 179.97 179.38 2ba3 h LYS 32 N 0.34 0.15 -0.38 0.20 6.56 -0.61 -0.82 116.57 122.01 2ba3 h LYS 32 Ca 0.09 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2ba3 h LYS 32 Cb -0.04 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.58 2ba3 h LYS 32 CO -0.02 0.30 0.23 0.87 -2.06 0.00 0.00 179.45 178.77 2ba3 h LYS 33 N -0.03 0.51 0.30 3.15 1.79 -1.04 0.37 116.57 121.61 2ba3 h LYS 33 Ca 0.03 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2ba3 h LYS 33 Cb 0.22 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2ba3 h LYS 33 CO -0.00 0.37 -0.28 0.00 -1.08 0.00 0.00 179.45 178.45 2ba3 h ALA 34 N 1.11 -0.61 -0.37 3.86 0.00 -0.84 -0.86 119.26 121.56 2ba3 h ALA 34 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2ba3 h ALA 34 Cb -0.02 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2ba3 h ALA 34 CO -0.03 -0.87 -0.01 1.49 0.00 0.00 0.00 179.25 179.83 2ba3 h GLU 35 N -0.61 0.59 -0.60 0.00 4.81 -1.04 -1.00 114.58 116.72 2ba3 h GLU 35 Ca -0.01 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 2ba3 h GLU 35 Cb 0.56 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2ba3 h GLU 35 CO -0.05 0.62 -0.01 0.22 -0.73 0.00 0.00 179.01 179.06 2ba3 h ASP 36 N 0.56 1.04 0.83 1.04 3.58 -0.65 -1.68 116.42 121.13 2ba3 h ASP 36 Ca 0.12 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2ba3 h ASP 36 Cb 0.38 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2ba3 h ASP 36 CO 0.01 1.09 0.00 -0.24 -2.88 0.00 0.00 179.24 177.23 2ba3 n SER 37 N -4.18 0.10 0.00 2.28 2.88 -0.35 -4.91 113.62 109.44 2ba3 n SER 37 Ca 0.03 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2ba3 n SER 37 Cb 0.35 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 0.82 0.52 3.54 0.46 0.00 -0.43 -5.00 105.19 105.10 2ba3 n GLY 38 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.52 0.67 0.99 1.43 -0.89 -4.96 118.68 119.43 2ba3 s LEU 39 Ca 0.00 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 2ba3 s LEU 39 Cb 0.00 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2ba3 s LEU 39 CO 0.00 0.13 0.55 1.07 0.23 0.00 0.00 176.35 178.33 2ba3 n THR 40 N 3.80 2.05 -0.33 5.49 5.66 -1.26 -4.13 114.28 125.55 2ba3 n THR 40 Ca -0.17 -0.43 0.20 0.00 -3.05 0.00 0.00 64.05 60.59 2ba3 n THR 40 Cb 0.52 -0.75 0.41 0.00 -1.55 0.00 0.00 70.33 68.97 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 -0.15 0.41 -0.68 1.08 2.07 -1.91 0.81 116.25 117.89 2ba3 h VAL 41 Ca -0.46 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2ba3 h VAL 41 Cb 1.36 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2ba3 h VAL 41 CO 0.44 0.08 0.38 0.77 0.02 0.00 0.00 177.57 179.26 2ba3 h SER 42 N 0.43 0.84 -0.26 0.57 4.64 -2.00 -0.54 113.55 117.24 2ba3 h SER 42 Ca 0.67 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.76 2ba3 h SER 42 Cb 1.40 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2ba3 h SER 42 CO -0.55 0.69 -0.38 0.00 -0.87 0.00 0.00 176.83 175.72 2ba3 h ALA 43 N 1.19 0.40 -0.13 5.18 0.00 -1.24 -2.34 119.26 122.32 2ba3 h ALA 43 Ca 0.24 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2ba3 h ALA 43 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2ba3 h ALA 43 CO -0.04 0.49 -0.13 -0.92 0.00 0.00 0.00 179.25 178.65 2ba3 h TYR 44 N 0.45 -0.32 0.60 0.00 5.03 -0.73 0.21 116.97 122.21 2ba3 h TYR 44 Ca 0.03 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 2ba3 h TYR 44 Cb 0.97 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 2ba3 h TYR 44 CO 0.08 -0.19 -0.43 0.82 -1.32 0.00 0.00 178.16 177.11 2ba3 h ILE 45 N -0.15 0.00 -0.75 1.81 1.08 -1.12 0.04 117.51 118.41 2ba3 h ILE 45 Ca 0.09 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.70 2ba3 h ILE 45 Cb 0.29 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.94 2ba3 h ILE 45 CO -0.22 0.00 0.31 0.08 -0.69 0.00 0.00 178.15 177.62 2ba3 h ARG 46 N -0.99 0.44 0.63 2.37 0.11 -1.29 0.30 114.38 115.95 2ba3 h ARG 46 Ca -0.08 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.94 2ba3 h ARG 46 Cb 0.81 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.80 2ba3 h ARG 46 CO 0.04 0.29 -0.30 -0.97 0.10 0.00 0.00 179.97 179.13 2ba3 h ASN 47 N 0.45 -0.71 -0.28 0.08 -1.24 -0.75 -2.81 115.58 110.32 2ba3 h ASN 47 Ca 0.41 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.44 2ba3 h ASN 47 Cb 0.62 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 2ba3 h ASN 47 CO -0.40 -0.44 0.19 0.00 -1.29 0.00 0.00 177.43 175.49 2ba3 h ALA 48 N -0.63 1.93 0.00 1.57 0.00 -0.42 0.09 119.26 121.80 2ba3 h ALA 48 Ca -0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2ba3 h ALA 48 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ba3 h ALA 48 CO 0.14 0.04 -0.37 0.00 0.00 0.00 0.00 179.25 179.06 2ba3 h ALA 49 N 1.84 0.85 0.00 0.00 0.00 -0.88 -3.28 119.26 117.79 2ba3 h ALA 49 Ca 0.11 -0.33 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 2ba3 h ALA 49 Cb 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2ba3 h ALA 49 CO -0.02 0.46 -2.13 1.28 0.00 0.00 0.00 179.25 178.83 2ba3 n LEU 50 N -3.31 0.22 -0.61 0.00 4.77 -0.93 -5.09 117.00 112.05 2ba3 n LEU 50 Ca 0.01 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 2ba3 n LEU 50 Cb 0.60 0.34 0.06 0.00 -2.33 0.00 0.00 43.42 42.09 2ba3 n LEU 50 CO 0.37 0.38 0.49 0.59 -1.33 0.00 0.00 177.39 177.90