#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 -0.07 0.77 -3.46 1.11 -1.26 -5.16 116.67 108.61 2ba3 s ASP 2 Ca 0.00 0.14 -0.11 0.00 0.18 0.00 0.00 52.55 52.76 2ba3 s ASP 2 Cb 0.00 0.13 0.06 0.00 1.07 0.00 0.00 42.92 44.18 2ba3 s ASP 2 CO 0.00 -0.03 1.08 -0.44 1.18 0.00 0.00 175.17 176.96 2ba3 s SER 3 N 0.12 4.65 0.00 0.27 0.01 -1.26 -5.02 113.70 112.47 2ba3 s SER 3 Ca -0.01 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.74 2ba3 s SER 3 Cb -0.01 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2ba3 s SER 3 CO -0.00 -1.89 0.00 0.00 0.41 0.00 0.00 173.24 171.75 2ba3 n ALA 4 N -3.40 1.34 -3.63 1.44 0.00 -1.26 -5.09 120.51 109.91 2ba3 n ALA 4 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 2ba3 n ALA 4 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2ba3 n ALA 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ba3 s VAL 5 N -1.24 0.00 0.00 0.00 -7.23 -1.26 -5.14 120.40 105.53 2ba3 s VAL 5 Ca 0.00 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2ba3 s VAL 5 Cb 0.00 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.81 2ba3 s VAL 5 CO 0.00 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.33 2ba3 n ARG 6 N -0.44 0.00 -4.41 4.82 1.74 -1.26 -5.14 116.66 111.97 2ba3 n ARG 6 Ca -0.03 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.80 2ba3 n ARG 6 Cb 0.60 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.93 2ba3 n ARG 6 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2ba3 s LYS 7 N -0.42 1.48 0.24 5.56 1.02 -1.26 -5.16 119.74 121.21 2ba3 s LYS 7 Ca 0.00 -1.55 0.02 0.00 0.02 0.00 0.00 55.97 54.47 2ba3 s LYS 7 Cb 0.00 -1.67 -0.05 0.00 -0.52 0.00 0.00 37.83 35.59 2ba3 s LYS 7 CO 0.00 0.34 0.05 0.15 -0.92 0.00 0.00 175.35 174.97 2ba3 s LYS 8 N -2.91 1.37 0.29 1.68 1.02 -1.26 -5.18 119.74 114.75 2ba3 s LYS 8 Ca 0.21 -1.72 -0.11 0.00 0.02 0.00 0.00 55.97 54.37 2ba3 s LYS 8 Cb -0.06 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 2ba3 s LYS 8 CO 0.10 -0.20 0.52 -1.54 -0.92 0.00 0.00 175.35 173.31 2ba3 s SER 9 N -3.31 0.15 0.00 2.83 1.04 -1.26 -5.06 113.70 108.10 2ba3 s SER 9 Ca 0.33 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2ba3 s SER 9 Cb 0.07 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2ba3 s SER 9 CO 0.11 -1.25 0.81 1.21 0.98 0.00 0.00 173.24 175.10 2ba3 n GLU 10 N -0.44 1.47 -0.06 4.02 2.13 -1.26 -4.57 120.64 121.93 2ba3 n GLU 10 Ca -0.02 -1.12 0.04 0.00 0.66 0.00 0.00 57.16 56.72 2ba3 n GLU 10 Cb 0.61 -1.00 0.07 0.00 0.27 0.00 0.00 31.44 31.39 2ba3 n GLU 10 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2ba3 n VAL 11 N -0.31 0.53 -3.86 6.31 3.14 -1.26 -4.89 118.33 118.00 2ba3 n VAL 11 Ca 0.00 -0.77 -0.30 0.00 -2.96 0.00 0.00 64.34 60.32 2ba3 n VAL 11 Cb 0.16 0.80 -0.15 0.00 -1.06 0.00 0.00 33.84 33.59 2ba3 n VAL 11 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2ba3 s ARG 12 N -0.82 1.18 -0.48 1.45 6.06 -1.26 -5.08 118.95 120.00 2ba3 s ARG 12 Ca 0.12 -1.03 -0.28 0.00 -2.50 0.00 0.00 55.73 52.05 2ba3 s ARG 12 Cb 0.07 -2.42 -0.01 0.00 0.06 0.00 0.00 34.95 32.66 2ba3 s ARG 12 CO 0.10 -0.76 1.66 1.14 -2.50 0.00 0.00 175.30 174.94 2ba3 s GLN 13 N 1.48 3.15 0.56 5.12 -2.07 -1.26 -4.84 119.66 121.79 2ba3 s GLN 13 Ca 0.02 0.86 0.23 0.00 -1.82 0.00 0.00 55.36 54.65 2ba3 s GLN 13 Cb -0.18 -4.21 1.54 0.00 -1.09 0.00 0.00 33.01 29.07 2ba3 s GLN 13 CO -0.12 -2.09 2.17 1.57 -1.32 0.00 0.00 175.29 175.50 2ba3 h LYS 14 N 12.71 0.00 0.00 9.60 2.10 -1.98 -3.43 116.57 135.57 2ba3 h LYS 14 Ca -0.29 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.07 2ba3 h LYS 14 Cb 1.14 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.60 2ba3 h LYS 14 CO 1.13 0.00 0.22 -2.37 -2.00 0.00 0.00 179.45 176.43 2ba3 n THR 15 N -4.17 0.00 -4.78 0.07 5.66 -1.26 -5.10 114.28 104.69 2ba3 n THR 15 Ca -0.01 -0.57 -0.27 0.00 -3.05 0.00 0.00 64.05 60.15 2ba3 n THR 15 Cb 0.15 -1.49 -0.14 0.00 -1.55 0.00 0.00 70.33 67.30 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 -2.81 1.83 -0.27 1.08 1.01 -1.26 -5.11 120.40 114.86 2ba3 s VAL 16 Ca 0.52 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2ba3 s VAL 16 Cb -0.03 -1.58 0.09 0.00 0.00 0.00 0.00 36.38 34.87 2ba3 s VAL 16 CO 0.37 0.29 0.11 0.54 0.00 0.00 0.00 175.10 176.41 2ba3 s VAL 17 N -0.77 0.29 0.17 2.92 0.11 -1.26 -5.12 120.40 116.74 2ba3 s VAL 17 Ca 0.09 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 2ba3 s VAL 17 Cb -0.09 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 2ba3 s VAL 17 CO 0.02 -0.61 -0.13 -0.13 -3.33 0.00 0.00 175.10 170.91 2ba3 s ARG 18 N 1.93 1.21 -1.08 1.54 0.52 -1.26 -5.07 118.95 116.74 2ba3 s ARG 18 Ca 0.07 -1.49 -0.13 0.00 -0.52 0.00 0.00 55.73 53.66 2ba3 s ARG 18 Cb -0.16 -0.97 0.20 0.00 0.52 0.00 0.00 34.95 34.54 2ba3 s ARG 18 CO -0.27 0.16 1.19 0.99 0.02 0.00 0.00 175.30 177.39 2ba3 s THR 19 N -2.90 5.36 -0.91 0.02 2.01 -1.26 -4.97 115.64 113.00 2ba3 s THR 19 Ca 0.19 -2.68 -0.22 0.00 0.31 0.00 0.00 61.69 59.29 2ba3 s THR 19 Cb -0.01 -4.74 0.08 0.00 0.01 0.00 0.00 72.50 67.84 2ba3 s THR 19 CO 0.05 -1.39 1.26 -0.22 -0.69 0.00 0.00 174.62 173.62 2ba3 s LEU 20 N 0.70 4.08 0.42 4.42 1.98 -1.26 -5.02 118.68 124.00 2ba3 s LEU 20 Ca 0.34 -1.45 -0.23 0.00 -2.89 0.00 0.00 54.13 49.90 2ba3 s LEU 20 Cb -0.06 -2.49 -0.09 0.00 0.66 0.00 0.00 46.19 44.21 2ba3 s LEU 20 CO -0.05 -1.40 1.07 -0.13 -1.89 0.00 0.00 176.35 173.95 2ba3 s ARG 21 N 4.22 4.05 0.05 1.98 3.00 -1.26 -5.08 118.95 125.91 2ba3 s ARG 21 Ca 0.37 1.54 0.01 0.00 0.00 0.00 0.00 55.73 57.66 2ba3 s ARG 21 Cb -0.05 -2.47 -0.03 0.00 0.00 0.00 0.00 34.95 32.40 2ba3 s ARG 21 CO -0.04 -0.25 -0.06 -0.06 0.00 0.00 0.00 175.30 174.89 2ba3 s PHE 22 N -1.67 0.61 0.64 -0.53 0.40 -1.26 -5.15 117.98 111.02 2ba3 s PHE 22 Ca 0.60 -0.61 -0.06 0.00 -0.60 0.00 0.00 56.93 56.26 2ba3 s PHE 22 Cb -0.23 -0.37 0.04 0.00 0.51 0.00 0.00 43.02 42.97 2ba3 s PHE 22 CO 0.28 -0.14 0.94 -1.12 0.70 0.00 0.00 175.22 175.88 2ba3 s SER 23 N -1.88 5.20 0.37 1.36 0.01 -1.26 -4.88 113.70 112.61 2ba3 s SER 23 Ca -0.07 0.53 0.11 0.00 1.31 0.00 0.00 55.95 57.83 2ba3 s SER 23 Cb -0.06 -1.35 0.71 0.00 0.21 0.00 0.00 66.02 65.53 2ba3 s SER 23 CO -0.01 -1.32 1.84 1.55 0.41 0.00 0.00 173.24 175.70 2ba3 h PRO 24 N -0.35 0.09 -0.20 12.44 0.13 -2.02 -0.47 132.00 141.62 2ba3 h PRO 24 Ca -0.45 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2ba3 h PRO 24 Cb 1.29 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ba3 h PRO 24 CO 0.60 0.40 -0.16 0.28 -0.23 0.00 0.00 178.00 178.89 2ba3 h VAL 25 N 0.08 1.32 -0.28 1.56 2.07 -1.99 -1.67 116.25 117.35 2ba3 h VAL 25 Ca 0.01 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 2ba3 h VAL 25 Cb 0.60 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2ba3 h VAL 25 CO 0.04 0.39 0.07 -0.33 0.02 0.00 0.00 177.57 177.77 2ba3 h GLU 26 N 0.13 0.44 -0.62 1.57 4.39 -1.88 -2.13 114.58 116.48 2ba3 h GLU 26 Ca 0.04 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2ba3 h GLU 26 Cb 0.68 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 2ba3 h GLU 26 CO 0.04 0.51 0.37 0.22 -1.16 0.00 0.00 179.01 179.00 2ba3 h ASP 27 N 0.28 0.60 0.13 1.42 3.58 -1.09 0.11 116.42 121.45 2ba3 h ASP 27 Ca 0.09 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2ba3 h ASP 27 Cb 0.27 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2ba3 h ASP 27 CO -0.00 0.41 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.63 2ba3 h GLU 28 N 0.73 -0.16 0.31 0.28 4.22 -1.14 0.19 114.58 119.00 2ba3 h GLU 28 Ca 0.25 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 2ba3 h GLU 28 Cb 0.05 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ba3 h GLU 28 CO -0.12 -0.01 -0.17 1.15 -2.18 0.00 0.00 179.01 177.68 2ba3 h THR 29 N -0.28 0.64 -0.69 0.32 2.02 -1.11 -1.12 112.91 112.69 2ba3 h THR 29 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 2ba3 h THR 29 Cb 0.23 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2ba3 h THR 29 CO 0.03 0.00 0.42 0.40 0.37 0.00 0.00 175.52 176.73 2ba3 h ILE 30 N -0.45 1.05 -0.64 3.11 2.04 -0.75 0.33 117.51 122.20 2ba3 h ILE 30 Ca -0.03 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 2ba3 h ILE 30 Cb 0.37 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2ba3 h ILE 30 CO 0.04 0.15 0.27 -0.09 0.00 0.00 0.00 178.15 178.52 2ba3 h ARG 31 N 0.80 0.94 -0.10 2.37 2.43 -0.38 0.13 114.38 120.57 2ba3 h ARG 31 Ca 0.29 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2ba3 h ARG 31 Cb 0.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2ba3 h ARG 31 CO -0.13 0.78 -0.07 0.87 -1.51 0.00 0.00 179.97 179.91 2ba3 h LYS 32 N 0.89 0.22 -0.73 0.20 6.56 -0.63 -1.43 116.57 121.65 2ba3 h LYS 32 Ca 0.22 -0.11 -0.04 0.00 -1.06 0.00 0.00 60.65 59.66 2ba3 h LYS 32 Cb 0.18 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.80 2ba3 h LYS 32 CO -0.02 0.61 0.31 -0.22 -2.06 0.00 0.00 179.45 178.06 2ba3 h LYS 33 N -0.16 1.08 0.33 3.15 1.63 -0.85 -0.88 116.57 120.88 2ba3 h LYS 33 Ca 0.02 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 2ba3 h LYS 33 Cb 0.55 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2ba3 h LYS 33 CO 0.02 0.88 -0.16 0.00 -3.45 0.00 0.00 179.45 176.74 2ba3 h ALA 34 N 1.15 -0.45 -0.63 5.00 0.00 -0.74 0.78 119.26 124.37 2ba3 h ALA 34 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2ba3 h ALA 34 Cb 0.19 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2ba3 h ALA 34 CO -0.02 -0.72 0.37 1.49 0.00 0.00 0.00 179.25 180.36 2ba3 h GLU 35 N -0.50 0.68 -0.52 0.00 4.81 -1.10 -1.20 114.58 116.76 2ba3 h GLU 35 Ca -0.05 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 2ba3 h GLU 35 Cb 0.38 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2ba3 h GLU 35 CO 0.08 0.45 -0.13 0.22 -0.73 0.00 0.00 179.01 178.90 2ba3 h ASP 36 N 0.71 1.01 0.56 1.04 3.58 -1.04 -2.52 116.42 119.76 2ba3 h ASP 36 Ca 0.27 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2ba3 h ASP 36 Cb 0.09 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2ba3 h ASP 36 CO -0.14 1.13 0.00 -0.24 -2.88 0.00 0.00 179.24 177.12 2ba3 n SER 37 N -4.14 0.00 -1.73 2.28 2.88 0.26 -4.88 113.62 108.29 2ba3 n SER 37 Ca 0.01 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 57.81 2ba3 n SER 37 Cb 0.41 -0.46 -0.01 0.00 -0.75 0.00 0.00 64.21 63.41 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 0.34 -0.22 2.79 0.46 0.00 -0.51 -4.99 105.19 103.06 2ba3 n GLY 38 Ca 0.05 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.37 1.04 0.97 0.99 1.43 -0.90 -5.05 118.68 112.79 2ba3 s LEU 39 Ca 0.00 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 2ba3 s LEU 39 Cb 0.00 -0.62 0.13 0.00 0.03 0.00 0.00 46.19 45.73 2ba3 s LEU 39 CO 0.00 -0.22 0.83 1.07 0.23 0.00 0.00 176.35 178.26 2ba3 n THR 40 N 5.04 0.00 -0.30 5.49 5.66 -1.26 -4.13 114.28 124.78 2ba3 n THR 40 Ca -0.09 -0.13 0.12 0.00 -3.05 0.00 0.00 64.05 60.90 2ba3 n THR 40 Cb 0.49 -0.86 0.26 0.00 -1.55 0.00 0.00 70.33 68.67 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 -1.91 0.23 -0.19 1.08 2.07 -1.89 0.24 116.25 115.89 2ba3 h VAL 41 Ca -0.46 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2ba3 h VAL 41 Cb 1.29 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2ba3 h VAL 41 CO 0.40 0.02 0.05 0.77 0.02 0.00 0.00 177.57 178.83 2ba3 h SER 42 N 0.12 0.28 -0.50 0.57 4.64 -1.99 0.39 113.55 117.05 2ba3 h SER 42 Ca 0.54 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 2ba3 h SER 42 Cb 1.07 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2ba3 h SER 42 CO -0.73 0.41 0.25 0.00 -0.87 0.00 0.00 176.83 175.89 2ba3 h ALA 43 N 0.87 0.65 0.07 5.18 0.00 -1.38 -1.60 119.26 123.05 2ba3 h ALA 43 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ba3 h ALA 43 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ba3 h ALA 43 CO -0.00 0.19 -0.06 -0.92 0.00 0.00 0.00 179.25 178.46 2ba3 h TYR 44 N 0.67 -0.16 0.52 0.00 5.03 -0.48 0.16 116.97 122.70 2ba3 h TYR 44 Ca 0.17 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 2ba3 h TYR 44 Cb 0.09 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 2ba3 h TYR 44 CO -0.01 -0.10 -0.50 0.82 -1.32 0.00 0.00 178.16 177.06 2ba3 h ILE 45 N -0.14 0.00 -0.54 1.81 1.08 -0.75 0.17 117.51 119.13 2ba3 h ILE 45 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2ba3 h ILE 45 Cb 0.13 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.86 2ba3 h ILE 45 CO -0.01 0.00 0.36 0.08 -0.69 0.00 0.00 178.15 177.88 2ba3 h ARG 46 N -1.01 0.71 0.14 2.37 0.11 -1.26 -0.97 114.38 114.48 2ba3 h ARG 46 Ca -0.07 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 59.99 2ba3 h ARG 46 Cb 0.87 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.75 2ba3 h ARG 46 CO -0.05 0.47 -0.38 -0.97 0.10 0.00 0.00 179.97 179.14 2ba3 h ASN 47 N 0.73 -1.10 -0.24 0.08 -1.24 -0.43 -0.80 115.58 112.59 2ba3 h ASN 47 Ca 0.20 0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.32 2ba3 h ASN 47 Cb -0.08 0.41 -0.02 0.00 0.73 0.00 0.00 38.32 39.36 2ba3 h ASN 47 CO -0.05 -0.46 0.11 0.00 -1.29 0.00 0.00 177.43 175.74 2ba3 h ALA 48 N -0.09 1.66 0.00 1.57 0.00 -0.86 0.42 119.26 121.97 2ba3 h ALA 48 Ca 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2ba3 h ALA 48 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ba3 h ALA 48 CO -0.21 0.27 -0.34 0.00 0.00 0.00 0.00 179.25 178.97 2ba3 h ALA 49 N 1.73 0.88 0.00 0.00 0.00 -0.48 -3.29 119.26 118.09 2ba3 h ALA 49 Ca 0.10 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 2ba3 h ALA 49 Cb 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2ba3 h ALA 49 CO -0.01 0.43 -2.25 1.28 0.00 0.00 0.00 179.25 178.69 2ba3 n LEU 50 N -3.33 0.13 -0.54 0.00 4.77 -0.37 -5.07 117.00 112.59 2ba3 n LEU 50 Ca 0.01 0.06 0.07 0.00 -0.03 0.00 0.00 56.01 56.12 2ba3 n LEU 50 Cb 0.57 0.41 0.06 0.00 -2.33 0.00 0.00 43.42 42.13 2ba3 n LEU 50 CO 0.37 0.44 0.47 0.59 -1.33 0.00 0.00 177.39 177.92